data_2gpf_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 2gpf _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 ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 . . . . . 0 C--O 1.236 0.394 0 CA-C-O 122.123 0.964 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -130.36 178.51 6.53 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 113.812 -1.54 . . . . 0.0 108.589 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -145.47 159.26 43.36 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.019 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.471 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 82.8 t -96.33 127.77 48.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.0 m -116.21 145.42 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-O 121.207 0.527 . . . . 0.0 111.186 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.0 p -120.4 133.96 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-O 121.506 0.67 . . . . 0.0 110.451 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.632 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 44.3 t30 -89.7 170.16 10.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.793 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -69.11 -4.02 15.65 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 121.08 0.466 . . . . 0.0 111.514 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.32 9.85 41.18 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 171.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 53.59 39.13 29.69 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 124.036 0.934 . . . . 0.0 112.431 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.632 ' HG2' ' HB3' ' A' ' 17' ' ' ASN . 20.9 pt20 -96.99 148.04 23.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.005 174.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.416 ' CE2' HG12 ' A' ' 54' ' ' VAL . 50.2 m-85 -108.75 122.79 47.89 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.49 0.662 . . . . 0.0 110.548 -173.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -131.84 173.76 10.84 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -177.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.6 pt -113.21 151.35 15.1 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 CA-C-O 121.041 0.448 . . . . 0.0 110.242 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -147.82 136.47 11.42 Favored Pre-proline 0 N--CA 1.446 -0.639 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -63.58 140.24 74.25 Favored 'Trans proline' 0 N--CA 1.479 0.662 0 C-N-CA 122.163 1.909 . . . . 0.0 112.501 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -61.66 -25.69 67.54 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.72 0.772 . . . . 0.0 111.842 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -87.94 -4.19 58.85 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.316 -172.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -111.38 146.11 37.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.43 0.633 . . . . 0.0 110.306 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.19 138.17 45.5 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.969 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.3 mt -76.33 136.24 68.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -58.97 140.75 96.74 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 121.95 1.767 . . . . 0.0 110.813 174.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -63.63 122.26 15.93 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.969 0.793 . . . . 0.0 110.795 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.47 -13.32 7.38 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.531 -176.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -117.49 162.64 17.65 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -142.12 161.8 37.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.92 141.52 34.45 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.204 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.471 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -149.92 164.38 35.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.505 -178.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.1 -125.16 9.46 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.193 -1.003 . . . . 0.0 112.465 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -127.36 145.73 50.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.526 -0.337 . . . . 0.0 111.007 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 m -103.26 147.36 27.15 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.81 -145.18 10.16 Favored Glycine 0 C--O 1.217 -0.958 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.55 -176.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 43' ' ' LEU . 3.2 mm? -74.06 168.6 19.2 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 117.133 0.466 . . . . 0.0 110.22 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.599 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 28.9 ttpp -62.35 -41.64 98.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.089 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -60.24 -31.98 70.71 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 123.606 0.566 . . . . 0.0 112.004 177.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.435 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 24.1 m-20 -67.58 -37.82 83.17 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.45 0.643 . . . . 0.0 110.49 176.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.0 m -72.75 -41.62 64.91 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.568 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 69.1 mt -59.66 -51.2 70.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.893 0.378 . . . . 0.0 110.503 178.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.18 -45.77 83.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.679 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.58 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 87.4 t80 -57.92 -51.53 69.24 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 123.954 0.784 . . . . 0.0 112.386 -178.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.576 ' HA ' HG21 ' A' ' 54' ' ' VAL . 1.7 mp -61.51 -33.88 59.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 CA-C-O 121.023 0.439 . . . . 0.0 110.707 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.77 -43.61 94.25 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.209 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.643 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 4.3 mm-40 -49.18 -61.07 2.28 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -174.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.643 ' C ' ' HB2' ' A' ' 53' ' ' GLU . 2.8 p . . . . . 0 C--N 1.348 0.521 0 O-C-N 119.153 -2.217 . . . . 0.0 108.236 -5.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 2.6 mp0 . . . . . 0 CA--C 1.516 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -124.87 177.22 6.13 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.73 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -149.04 153.48 37.92 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.515 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 47.7 t -92.06 129.21 43.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -114.18 138.69 43.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.325 0.583 . . . . 0.0 110.569 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 20' ' ' GLU . 8.0 p -117.41 130.81 71.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.728 0.775 . . . . 0.0 109.572 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -79.77 170.42 16.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.307 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -68.78 -1.61 7.49 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.874 0.845 . . . . 0.0 110.885 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -111.02 16.3 21.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.138 174.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.482 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 12.7 pt-20 49.58 49.1 20.53 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 122.918 1.342 . . . . 0.0 110.85 -177.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 3.1 tp-100 -92.85 128.68 38.8 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.157 172.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -96.76 136.92 36.62 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.007 0.432 . . . . 0.0 111.834 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -154.3 173.2 16.49 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.196 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 pt -112.3 144.68 19.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -143.75 135.99 13.27 Favored Pre-proline 0 C--N 1.316 -0.89 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -59.53 127.37 23.52 Favored 'Trans proline' 0 CA--C 1.516 -0.378 0 C-N-CA 122.023 1.815 . . . . 0.0 111.506 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' HG2' ' HB3' ' A' ' 11' ' ' GLN . 5.6 pt-20 -70.75 -14.93 62.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.057 0.456 . . . . 0.0 111.468 -172.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -65.65 -32.75 74.49 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.718 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -103.0 157.31 17.07 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.829 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -75.71 150.91 37.75 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.893 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.1 mt -77.69 135.7 63.97 Favored Pre-proline 0 C--N 1.322 -0.617 0 C-N-CA 123.235 0.614 . . . . 0.0 110.38 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -57.17 143.6 92.82 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 122.257 1.971 . . . . 0.0 111.202 172.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -68.05 122.02 17.35 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.24 -20.33 5.61 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -173.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -118.09 159.81 22.59 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 124.604 0.826 . . . . 0.0 109.004 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -136.24 152.15 50.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.994 0.184 . . . . 0.0 110.523 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.13 134.07 44.34 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.67 0.272 . . . . 0.0 110.747 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.515 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -153.85 167.37 29.9 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -177.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.68 -105.04 1.64 Allowed Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 114.944 0.738 . . . . 0.0 114.944 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -128.62 141.23 51.42 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.075 0.464 . . . . 0.0 111.129 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 t -123.6 117.0 24.03 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 173.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' A' ' 11' ' ' GLN . . . 172.45 -130.02 1.83 Allowed Glycine 0 CA--C 1.494 -1.28 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.973 -173.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.444 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 4.0 mm? -75.41 156.65 35.14 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.745 0.273 . . . . 0.0 110.852 178.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.623 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 27.7 ttpp -59.91 -41.28 91.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.049 0.452 . . . . 0.0 110.942 -178.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -63.31 -30.65 71.75 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.616 -179.135 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -72.48 -35.54 68.23 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.346 1.029 . . . . 0.0 110.529 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.7 m -73.26 -44.78 58.72 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.889 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 66.2 mt -55.98 -44.06 78.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.403 0.62 . . . . 0.0 110.343 176.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.16 -48.7 67.77 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.379 177.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.546 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 92.3 t80 -54.67 -46.27 74.03 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.426 -177.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.664 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 2.0 mp -64.36 -34.89 72.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.495 -176.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.1 -42.09 99.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.08 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.478 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 16.2 mm-40 -46.49 -60.96 2.03 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -172.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.664 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.9 p . . . . . 0 C--N 1.348 0.521 0 CA-C-N 120.703 1.592 . . . . 0.0 111.456 -3.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 . . . . . 0 N--CA 1.448 -0.557 0 CA-C-O 120.58 0.229 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -135.35 -179.95 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.712 0.768 . . . . 0.0 110.45 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 25.1 pt20 -150.81 160.51 43.82 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.162 -0.926 . . . . 0.0 108.526 176.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.598 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 61.2 t -90.17 125.19 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.081 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.9 m -125.24 157.76 33.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.464 HG13 ' HD3' ' A' ' 36' ' ' ARG . 3.9 p -136.93 136.56 47.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.442 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -98.58 -168.06 1.59 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.674 -173.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -65.79 -29.32 69.8 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.385 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -81.82 9.19 8.46 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.445 0.64 . . . . 0.0 111.031 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 59.75 27.04 16.26 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.372 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 21' ' ' GLN . 8.3 tt0 -84.74 132.12 34.48 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.908 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -86.29 123.08 31.15 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.5 m -142.4 177.0 8.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.082 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.1 pt -116.57 144.91 23.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.497 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 75.0 t-105 -138.14 132.87 17.09 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.716 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 9.0 Cg_endo -51.83 138.35 51.09 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.305 2.004 . . . . 0.0 112.982 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.42 -37.83 80.67 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.905 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -71.17 -19.14 62.45 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.398 -176.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.716 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 97.1 mttt -89.82 153.29 20.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.25 0.548 . . . . 0.0 110.18 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -78.01 135.94 37.86 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.581 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -66.1 126.69 92.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.51 ' HB2' ' CD1' ' A' ' 35' ' ' TRP . 65.0 Cg_exo -54.32 153.14 23.21 Favored 'Trans proline' 0 C--O 1.242 0.692 0 C-N-CA 122.603 2.202 . . . . 0.0 111.938 177.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -76.87 123.24 25.96 Favored 'General case' 0 N--CA 1.435 -1.198 0 O-C-N 121.752 -0.593 . . . . 0.0 109.827 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.59 -17.58 15.9 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -173.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.51 ' CD1' ' HB2' ' A' ' 32' ' ' PRO . 30.5 m95 -108.23 155.48 20.42 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' HD3' HG13 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -144.9 156.5 44.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 172.694 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.83 138.38 36.22 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 123.903 0.752 . . . . 0.0 111.068 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.598 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -133.59 143.79 48.89 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 122.818 0.447 . . . . 0.0 110.077 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.5 -97.82 2.05 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.015 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -167.84 175.09 7.06 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.171 0.51 . . . . 0.0 111.177 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.6 t -113.37 157.04 22.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.882 -176.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.17 -148.71 15.04 Favored Glycine 0 C--O 1.224 -0.498 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.73 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 43' ' ' LEU . 3.7 mm? -75.28 161.92 28.89 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 122.406 -0.467 . . . . 0.0 111.024 176.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.509 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 1.7 ttmp? -54.87 -48.59 72.75 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.451 0.469 . . . . 0.0 111.719 -174.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -59.23 -29.27 67.39 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 123.519 0.512 . . . . 0.0 111.704 -176.531 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 23.5 t70 -73.74 -36.97 65.22 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-O 121.553 0.692 . . . . 0.0 110.478 179.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.8 m -70.39 -50.38 39.28 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.326 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 63.4 mt -55.99 -45.83 78.9 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 122.015 0.912 . . . . 0.0 110.85 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.63 -42.0 67.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.227 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -55.49 -47.89 75.44 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 123.901 0.75 . . . . 0.0 112.138 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.556 ' HA ' HG23 ' A' ' 54' ' ' VAL . 3.4 mp -68.94 -34.99 67.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 120.561 0.219 . . . . 0.0 111.097 -175.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.7 -43.47 97.76 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.207 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 30.0 mm-40 -44.95 -62.62 1.16 Allowed 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 118.052 -0.975 . . . . 0.0 113.6 -174.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.556 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.0 p . . . . . 0 CA--C 1.537 0.463 0 CA-C-N 121.718 2.054 . . . . 0.0 111.126 -2.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 . . . . . 0 CA--C 1.537 0.452 0 CA-C-O 121.169 0.509 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -123.85 167.17 14.43 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.431 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -144.28 161.91 37.73 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 38' ' ' ALA . 23.3 t -98.91 127.34 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.207 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 m -115.89 148.44 18.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.419 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 p -141.56 148.09 21.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.327 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.555 ' C ' ' H ' ' A' ' 19' ' ' GLU . 55.8 t30 -104.58 162.88 12.89 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -69.68 24.06 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.555 ' H ' ' C ' ' A' ' 17' ' ' ASN . 7.8 tp10 -112.2 -2.22 14.99 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 173.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 31.7 tt0 65.33 29.99 11.29 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.963 -177.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -96.65 111.56 23.66 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -86.44 139.7 30.66 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 121.172 0.51 . . . . 0.0 110.667 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t -141.35 168.5 19.62 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.439 HG22 ' SG ' ' A' ' 47' ' ' CYS . 36.8 pt -108.51 143.55 18.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.412 ' CE2' ' HD3' ' A' ' 32' ' ' PRO . 35.2 t-105 -150.21 141.17 14.6 Favored Pre-proline 0 C--N 1.32 -0.678 0 O-C-N 123.568 0.542 . . . . 0.0 109.705 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.79 143.73 99.57 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.774 2.316 . . . . 0.0 111.077 177.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -70.74 -43.31 69.11 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.417 0.627 . . . . 0.0 110.934 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -75.01 -12.3 60.3 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 121.742 0.782 . . . . 0.0 110.894 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -92.92 136.65 33.06 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.306 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -72.5 139.47 47.64 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 121.335 -0.853 . . . . 0.0 110.367 -176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.92 141.03 97.41 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.988 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.442 ' HB2' ' CD1' ' A' ' 35' ' ' TRP . 31.3 Cg_exo -57.89 141.57 96.01 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 121.922 1.748 . . . . 0.0 110.742 175.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -61.53 102.56 0.25 Allowed 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.953 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.14 -18.22 4.48 Favored Glycine 0 C--N 1.318 -0.458 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.964 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.442 ' CD1' ' HB2' ' A' ' 32' ' ' PRO . 52.9 m95 -97.17 161.38 13.84 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -131.62 151.24 51.77 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.62 128.32 35.19 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.663 0.602 . . . . 0.0 110.875 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB2' ' HB ' ' A' ' 14' ' ' VAL . . . -76.42 -20.43 57.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.44 -178.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.26 -77.53 0.39 Allowed Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.961 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -59.78 112.62 1.9 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.568 0.699 . . . . 0.0 111.37 -175.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -124.28 132.0 53.55 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.629 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.97 -139.88 2.99 Favored Glycine 0 C--O 1.213 -1.169 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -177.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.652 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 4.2 mm? -79.51 177.18 9.06 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.388 177.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.561 ' HE2' HD21 ' A' ' 48' ' ' LEU . 23.5 tptm -57.86 -47.22 83.36 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.69 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.652 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.55 -30.77 69.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.805 -178.198 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.469 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 34.0 m-20 -69.52 -41.28 76.21 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.684 0.615 . . . . 0.0 110.027 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.594 ' O ' HG12 ' A' ' 51' ' ' ILE . 50.0 t -67.18 -45.58 76.53 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 123.882 0.739 . . . . 0.0 109.814 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.561 HD21 ' HE2' ' A' ' 44' ' ' LYS . 78.2 mt -56.91 -45.59 82.55 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.145 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -57.68 -47.21 82.97 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.948 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -58.32 -43.88 88.39 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.559 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.594 HG12 ' O ' ' A' ' 47' ' ' CYS . 14.8 mm -69.88 -34.74 61.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.644 0.735 . . . . 0.0 111.138 -174.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.79 -40.33 92.2 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.452 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.489 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 8.5 mm-40 -46.98 -61.29 1.94 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -175.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.57 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.5 p . . . . . 0 C--N 1.345 0.392 0 C-N-CA 125.793 1.637 . . . . 0.0 110.855 -2.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 . . . . . 0 N--CA 1.448 -0.561 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -125.66 177.01 6.49 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.774 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 20.5 pt20 -139.65 142.79 36.98 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 174.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.495 HG13 ' CE2' ' A' ' 50' ' ' TYR . 58.1 t -86.55 123.74 39.92 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.83 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 -179.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 m -116.34 154.08 17.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-O 121.515 0.674 . . . . 0.0 109.313 -178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.531 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 12.5 p -122.59 137.22 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-O 121.306 0.574 . . . . 0.0 110.584 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -77.97 156.54 30.14 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -64.53 -8.38 13.69 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.447 0.641 . . . . 0.0 111.161 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -106.66 17.28 23.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.872 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 67.78 57.29 0.53 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.074 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.531 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 7.3 tp-100 -120.46 127.22 52.02 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -102.62 137.4 40.89 Favored 'General case' 0 C--N 1.311 -1.09 0 O-C-N 122.115 -0.366 . . . . 0.0 110.213 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.3 t -154.24 -177.14 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.562 HD12 ' SG ' ' A' ' 47' ' ' CYS . 28.7 pt -126.31 143.19 40.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-O 121.276 0.56 . . . . 0.0 111.058 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.43 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 52.9 t-105 -134.23 138.51 30.54 Favored Pre-proline 0 N--CA 1.441 -0.897 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -44.46 124.63 5.41 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.876 2.384 . . . . 0.0 111.375 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.31 -39.78 88.2 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 124.113 0.883 . . . . 0.0 111.113 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.64 0.68 45.86 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 123.487 0.492 . . . . 0.0 111.227 -178.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -102.22 147.03 27.14 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.62 134.87 42.02 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 59.6 mt -70.91 132.26 86.87 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.25 177.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 20.5 Cg_exo -67.71 155.46 69.93 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.537 2.158 . . . . 0.0 111.583 175.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -65.79 141.83 58.17 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.284 0.564 . . . . 0.0 110.467 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.63 -26.73 12.35 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -112.19 160.47 17.56 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -141.98 157.7 44.63 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.963 0.411 . . . . 0.0 110.139 175.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.58 136.47 38.27 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.569 -175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.01 -139.65 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.201 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.71 36.09 2.35 Favored Glycine 0 C--N 1.311 -0.825 0 C-N-CA 120.292 -0.956 . . . . 0.0 113.413 -176.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.53 ' HE3' ' HB3' ' A' ' 46' ' ' ASP . 0.8 OUTLIER -156.97 113.18 2.97 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 121.133 0.492 . . . . 0.0 109.786 178.76 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 t -111.45 147.32 35.52 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.682 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.22 174.42 36.34 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.233 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.512 HD22 ' OD2' ' A' ' 46' ' ' ASP . 2.6 pt? -78.86 -178.96 6.3 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.515 -177.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.706 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 17.7 ptpt -52.65 -36.12 56.18 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -174.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -56.05 -49.12 74.63 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.249 0.547 . . . . 0.0 110.317 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.53 ' HB3' ' HE3' ' A' ' 40' ' ' LYS . 55.2 m-20 -61.26 -33.17 73.09 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.182 177.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.562 ' SG ' HD12 ' A' ' 24' ' ' ILE . 1.1 t -71.05 -53.64 14.0 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 122.962 0.505 . . . . 0.0 109.982 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 33.1 mt -51.32 -51.38 54.88 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 124.295 0.997 . . . . 0.0 110.617 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.2 -51.49 67.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.69 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.514 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 61.7 t80 -53.81 -53.08 57.43 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.284 0.99 . . . . 0.0 112.67 -176.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.6 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -60.26 -35.9 65.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.55 -41.64 92.78 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.525 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 5.4 mm-40 -47.04 -59.48 3.1 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -175.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.6 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.1 p . . . . . 0 N--CA 1.473 0.716 0 CA-C-N 120.81 1.641 . . . . 0.0 110.428 -3.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.498 ' HG2' HD13 ' A' ' 43' ' ' LEU . 44.3 mt-30 . . . . . 0 CA--C 1.519 -0.217 0 CA-C-O 121.762 0.791 . . . . 0.0 111.71 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -128.8 177.46 7.06 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.186 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 9.2 pt20 -139.43 164.16 30.59 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 175.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.478 HG21 ' HG ' ' A' ' 47' ' ' CYS . 61.9 t -105.26 126.47 60.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 27.4 m -115.7 143.82 24.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 p -123.1 140.28 47.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.193 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -93.75 168.15 11.19 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -69.38 -0.34 6.22 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 121.859 -0.525 . . . . 0.0 110.494 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.31 7.04 42.85 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.187 0.518 . . . . 0.0 110.352 173.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 59.72 35.26 22.21 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 123.303 0.641 . . . . 0.0 111.355 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -116.89 143.64 45.46 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.781 173.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -103.61 154.3 19.66 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.223 -173.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.1 t -154.37 174.15 15.24 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.7 pt -108.98 147.86 13.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.427 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 66.6 t-105 -144.87 131.56 9.98 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.489 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.94 132.81 46.88 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.398 2.065 . . . . 0.0 111.546 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.427 ' HA ' HE21 ' A' ' 13' ' ' GLN . 0.0 OUTLIER -70.48 -10.5 59.34 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.144 0.497 . . . . 0.0 111.588 -173.785 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -77.6 -27.3 51.24 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.813 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.8 148.48 23.35 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.648 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.49 149.25 46.0 Favored 'General case' 0 N--CA 1.436 -1.155 0 O-C-N 121.422 -0.799 . . . . 0.0 108.969 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.9 mt -66.28 132.98 94.46 Favored Pre-proline 0 C--N 1.33 -0.263 0 O-C-N 123.59 0.556 . . . . 0.0 109.64 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.489 ' HG2' ' HD1' ' A' ' 35' ' ' TRP . 60.2 Cg_endo -72.41 31.28 0.28 Allowed 'Trans proline' 0 N--CA 1.478 0.568 0 C-N-CA 122.884 2.389 . . . . 0.0 114.479 -173.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.443 ' HB3' ' O ' ' A' ' 32' ' ' PRO . 56.0 tt0 76.42 -53.12 0.6 Allowed 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 170.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.38 -33.42 87.2 Favored Glycine 0 C--O 1.221 -0.701 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.395 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.495 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 63.8 m95 -96.2 163.98 12.86 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.543 ' HE ' ' HA ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -129.95 147.52 51.72 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.646 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.25 130.43 42.01 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.274 0.559 . . . . 0.0 109.875 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.52 156.68 45.16 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.697 0.76 . . . . 0.0 110.769 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.49 -102.27 1.37 Allowed Glycine 0 N--CA 1.434 -1.452 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.7 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.465 ' HZ2' ' CG ' ' A' ' 46' ' ' ASP . 55.7 tttm -158.96 153.1 23.67 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 121.168 0.508 . . . . 0.0 111.148 -173.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 m -105.33 152.0 23.46 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.48 174.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.32 -157.96 30.64 Favored Glycine 0 C--O 1.217 -0.921 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.614 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.498 HD13 ' HG2' ' A' ' 11' ' ' GLN . 3.6 mm? -77.66 172.45 13.38 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 120.268 0.08 . . . . 0.0 110.966 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.51 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 4.5 tppp? -51.54 -54.57 26.06 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.552 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -60.95 -32.53 72.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.906 -0.134 . . . . 0.0 110.89 -175.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.552 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 16.7 t70 -69.15 -41.24 77.56 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 122.011 0.91 . . . . 0.0 110.572 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.582 ' O ' HG12 ' A' ' 51' ' ' ILE . 42.0 t -68.05 -49.59 60.45 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.891 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 43.2 mt -56.87 -40.7 76.64 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.987 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.33 -44.95 88.92 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.981 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.484 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 88.2 t80 -65.02 -39.51 93.51 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 121.798 -0.564 . . . . 0.0 111.339 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 47' ' ' CYS . 18.6 mm -67.59 -34.89 70.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -175.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.21 -39.09 78.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.532 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.547 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 10.4 mm-40 -49.03 -62.38 1.56 Allowed 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -175.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.547 ' C ' ' HB2' ' A' ' 53' ' ' GLU . 2.5 p . . . . . 0 C--N 1.351 0.632 0 CA-C-N 121.948 2.158 . . . . 0.0 108.689 -3.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.914 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 77.0 mt-30 . . . . . 0 CA--C 1.514 -0.41 0 CA-C-O 120.504 0.192 . . . . 0.0 110.796 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.559 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 85.5 m-85 -133.26 -179.4 5.48 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.86 0.838 . . . . 0.0 110.453 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 20.7 pt20 -140.98 146.96 37.99 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.038 -1.437 . . . . 0.0 107.242 170.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.548 HG11 ' CE1' ' A' ' 50' ' ' TYR . 39.9 t -89.14 122.62 40.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.8 m -114.94 149.0 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-O 120.721 0.296 . . . . 0.0 111.161 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.82 138.48 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.663 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 48.0 t30 -97.28 175.47 6.26 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -71.29 -2.52 16.51 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.542 0.526 . . . . 0.0 112.153 -171.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.616 ' HB3' HE22 ' A' ' 21' ' ' GLN . 40.4 tt0 -103.6 14.4 31.25 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 122.036 0.922 . . . . 0.0 108.998 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 13.7 pt-20 57.86 32.01 21.33 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.421 1.488 . . . . 0.0 112.338 174.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.663 ' OE1' ' HB3' ' A' ' 17' ' ' ASN . 1.5 pm0 -95.38 142.51 27.68 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 173.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.93 146.8 33.21 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.103 0.478 . . . . 0.0 111.127 -175.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 m -151.67 177.56 10.24 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.736 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.7 pt -116.97 140.62 38.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.214 0.531 . . . . 0.0 110.139 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.407 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 70.7 t-105 -135.36 134.19 21.06 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.68 114.49 1.98 Allowed 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 122.397 2.065 . . . . 0.0 112.276 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -52.69 -27.57 18.01 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.311 1.007 . . . . 0.0 112.419 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -55.66 -42.71 75.47 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.673 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -98.97 162.68 12.95 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.151 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -87.55 137.45 32.32 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 36' ' ' ARG . 21.5 pt -61.47 155.35 59.29 Favored Pre-proline 0 C--N 1.314 -0.942 0 O-C-N 124.673 1.233 . . . . 0.0 113.047 -175.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -65.85 150.79 85.56 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.42 2.08 . . . . 0.0 112.103 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -42.65 -46.78 5.13 Favored 'General case' 0 C--N 1.334 -0.075 0 C-N-CA 124.25 1.02 . . . . 0.0 113.156 -176.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.36 -5.11 87.46 Favored Glycine 0 C--O 1.23 -0.141 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.614 -173.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -106.44 157.19 17.82 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.077 -0.661 . . . . 0.0 111.095 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HA ' HD13 ' A' ' 31' ' ' ILE . 34.1 ttm180 -145.39 156.67 43.91 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.67 126.75 31.01 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.146 0.498 . . . . 0.0 110.873 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.88 72.47 Favored 'General case' 0 CA--C 1.518 -0.282 0 O-C-N 121.825 -0.547 . . . . 0.0 110.318 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.7 -69.33 0.36 Allowed Glycine 0 CA--C 1.506 -0.48 0 C-N-CA 120.13 -1.033 . . . . 0.0 111.944 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.674 ' HD2' ' CD2' ' A' ' 50' ' ' TYR . 97.5 mttt -70.43 121.75 18.34 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.661 0.743 . . . . 0.0 110.583 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.6 t -113.31 143.29 44.69 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.448 175.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.44 177.15 43.37 Favored Glycine 0 C--O 1.215 -1.032 0 C-N-CA 120.276 -0.964 . . . . 0.0 111.394 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.914 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 2.5 pt? -66.42 177.14 1.59 Allowed 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.041 0.448 . . . . 0.0 111.163 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.561 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 21.9 ttmt -47.82 -54.47 12.33 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.275 0.63 . . . . 0.0 112.009 -176.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' HB3' ' HE3' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -54.54 -40.7 68.92 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 122.454 0.302 . . . . 0.0 111.172 -179.322 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' HB2' HD23 ' A' ' 43' ' ' LEU . 14.5 t70 -65.64 -38.82 90.46 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.192 0.52 . . . . 0.0 110.198 -178.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 74.0 m -71.22 -40.42 71.11 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.169 178.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 62.5 mt -60.39 -42.55 96.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.194 0.521 . . . . 0.0 110.381 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.67 -42.26 92.48 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.991 174.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.674 ' CD2' ' HD2' ' A' ' 40' ' ' LYS . 51.5 t80 -55.84 -48.5 75.37 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 123.566 0.746 . . . . 0.0 111.686 177.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.732 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 18.3 mm -63.63 -31.29 52.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.657 0.741 . . . . 0.0 110.477 -176.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -61.6 -40.15 93.78 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.802 177.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.507 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 45.0 mm-40 -47.35 -62.18 1.55 Allowed 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -175.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.732 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.8 p . . . . . 0 C--N 1.349 0.556 0 O-C-N 119.637 -1.915 . . . . 0.0 110.329 -4.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.45 ' HG2' HD11 ' A' ' 43' ' ' LEU . 49.4 mt-30 . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -119.28 160.19 22.69 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 122.2 1.0 . . . . 0.0 112.449 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 27.3 pt20 -136.49 146.86 46.75 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.704 HG22 ' HG ' ' A' ' 47' ' ' CYS . 41.5 t -84.53 125.87 40.27 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.7 m -115.17 138.93 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.6 p -119.36 138.11 51.1 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -83.09 170.46 14.78 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.028 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -74.6 2.12 10.53 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 121.279 -0.888 . . . . 0.0 109.445 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -100.41 5.29 44.27 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.124 -0.943 . . . . 0.0 108.474 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 59.17 39.2 23.2 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.551 -173.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -95.58 131.14 42.11 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -95.56 135.79 36.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.855 0.836 . . . . 0.0 111.24 -175.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 t -139.84 166.71 23.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.909 174.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.574 HG21 ' SG ' ' A' ' 47' ' ' CYS . 30.9 pt -115.33 128.57 72.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.435 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 57.0 t-105 -134.54 136.12 25.0 Favored Pre-proline 0 C--N 1.31 -1.11 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.998 -175.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.634 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 50.4 Cg_exo -55.06 139.2 79.97 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 121.639 1.56 . . . . 0.0 112.634 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -68.23 -33.98 75.39 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.624 -173.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.72 -6.11 58.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.373 -178.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.634 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 67.0 mttm -97.95 145.58 26.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 176.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -72.5 134.1 45.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.228 0.955 . . . . 0.0 109.458 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.3 mt -65.4 132.08 95.07 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.006 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.85 151.48 56.36 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.342 2.028 . . . . 0.0 112.044 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -70.12 117.82 12.17 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.736 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.81 -20.5 7.24 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -105.23 156.52 18.04 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.334 -0.433 . . . . 0.0 110.166 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -132.31 152.92 51.17 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.25 125.78 28.18 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.96 80.56 1.47 Allowed 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.36 -103.54 2.96 Favored Glycine 0 N--CA 1.439 -1.156 0 C-N-CA 120.541 -0.838 . . . . 0.0 114.496 166.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.489 ' HG3' ' HD1' ' A' ' 50' ' ' TYR . 29.2 mtpp -77.24 122.66 25.37 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.284 0.564 . . . . 0.0 112.171 -170.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 p -130.71 128.07 40.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.492 175.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 170.32 -117.63 0.71 Allowed Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.258 -0.972 . . . . 0.0 112.141 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.45 HD11 ' HG2' ' A' ' 11' ' ' GLN . 2.1 mm? -81.06 168.66 18.4 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -57.2 -39.91 76.34 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.516 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.528 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -63.19 -30.78 71.86 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.661 -179.146 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.528 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 41.9 m-20 -66.38 -41.73 88.99 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 121.86 0.838 . . . . 0.0 110.785 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.704 ' HG ' HG22 ' A' ' 14' ' ' VAL . 42.5 t -70.41 -46.62 63.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.862 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.4 mp -56.48 -52.32 65.15 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.411 0.624 . . . . 0.0 111.981 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.552 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -52.32 -41.05 62.65 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.836 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 36.2 t80 -61.63 -37.41 83.86 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.682 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.728 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -71.53 -34.29 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 O-C-N 121.925 -0.484 . . . . 0.0 109.997 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.73 -42.84 99.49 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.222 0.534 . . . . 0.0 111.915 175.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 65.8 mm-40 -45.87 -61.06 1.89 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -174.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.728 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.8 p . . . . . 0 C--O 1.23 0.061 0 CA-C-N 121.715 2.052 . . . . 0.0 111.249 -4.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 . . . . . 0 CA--C 1.516 -0.349 0 CA-C-O 121.529 0.681 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -120.77 179.05 4.47 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.181 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 10.3 pt20 -143.44 157.08 44.74 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 170.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.0 t -95.81 127.98 47.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.0 m -115.9 153.52 17.48 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 O-C-N 123.458 0.474 . . . . 0.0 109.956 176.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 p -122.86 138.16 53.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 CA-C-O 120.932 0.396 . . . . 0.0 111.168 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -92.41 172.43 8.4 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.125 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -60.44 -10.28 4.71 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.671 0.788 . . . . 0.0 112.359 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -111.13 17.9 19.9 Favored 'General case' 0 N--CA 1.442 -0.828 0 O-C-N 123.489 0.493 . . . . 0.0 111.311 -174.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 61.99 37.45 14.94 Favored 'General case' 0 C--N 1.344 0.334 0 O-C-N 124.266 0.979 . . . . 0.0 110.072 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -112.86 129.63 56.39 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.75 176.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -96.31 156.32 16.39 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.022 0.826 . . . . 0.0 111.357 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -156.94 178.59 10.18 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 124.463 1.102 . . . . 0.0 109.013 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.503 ' CG2' ' HB3' ' A' ' 47' ' ' CYS . 29.7 pt -119.77 143.31 31.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.513 0.673 . . . . 0.0 110.475 -175.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -144.05 134.71 12.22 Favored Pre-proline 0 C--N 1.309 -1.172 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.276 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.533 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 51.8 Cg_exo -54.59 132.61 52.34 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.26 1.974 . . . . 0.0 112.334 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.7 -30.08 71.09 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.483 -173.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -85.64 15.51 4.61 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -175.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.533 ' HE2' ' HG2' ' A' ' 26' ' ' PRO . 50.5 mtmt -130.04 154.88 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.083 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.39 131.54 45.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.154 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.11 139.32 97.65 Favored Pre-proline 0 C--O 1.236 0.386 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.091 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -53.34 135.92 61.61 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.248 1.965 . . . . 0.0 112.056 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -47.28 -35.55 7.98 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.055 0.847 . . . . 0.0 112.659 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.53 -3.09 90.71 Favored Glycine 0 C--O 1.221 -0.71 0 C-N-CA 120.864 -0.684 . . . . 0.0 114.414 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 47.9 m95 -126.09 168.88 13.39 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -148.01 163.93 35.35 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.274 -0.267 . . . . 0.0 110.31 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.85 125.0 25.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 123.594 0.558 . . . . 0.0 110.761 -175.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.12 -20.82 55.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.658 0.599 . . . . 0.0 111.289 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.75 -33.14 5.06 Favored Glycine 0 C--N 1.346 1.134 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.232 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 tpmt? -87.35 123.28 32.15 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.002 0.43 . . . . 0.0 111.404 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' A' ' 13' ' ' GLN . 53.1 m -124.32 153.53 41.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.267 174.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.87 -175.25 41.51 Favored Glycine 0 CA--C 1.506 -0.52 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.3 mt -66.99 176.15 2.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 117.32 0.56 . . . . 0.0 110.319 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -55.86 -42.23 75.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.25 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.567 ' HD3' ' N ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -60.58 -45.39 94.13 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.777 -177.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.14 -38.06 84.88 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.387 0.613 . . . . 0.0 110.138 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.503 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 16.7 m -75.54 -48.11 23.93 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.957 -176.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.77 -46.92 87.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.394 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -58.03 -37.65 74.74 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.246 176.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 47.3 t80 -57.05 -45.17 83.4 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 123.731 0.644 . . . . 0.0 111.361 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.667 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.8 mp -69.95 -33.53 55.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -177.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.57 -42.23 99.42 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.093 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 18.2 mm-40 -45.05 -62.26 1.31 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -175.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.667 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.1 p . . . . . 0 N--CA 1.476 0.868 0 CA-C-N 121.455 1.934 . . . . 0.0 110.504 -2.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.511 ' HB2' ' HB3' ' A' ' 27' ' ' GLU . 56.3 mt-30 . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.536 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . 28.3 m-85 -120.77 151.8 39.12 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.975 0.893 . . . . 0.0 111.384 178.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 25.2 pt20 -136.59 151.54 49.47 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.631 -1.168 . . . . 0.0 109.205 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.415 HG21 ' SG ' ' A' ' 47' ' ' CYS . 22.6 t -92.87 124.73 45.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 118.347 0.521 . . . . 0.0 109.627 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.05 146.91 19.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 17' ' ' ASN . 8.8 p -132.23 144.64 36.44 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 CA-C-O 121.27 0.557 . . . . 0.0 110.511 -176.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.44 ' C ' ' H ' ' A' ' 19' ' ' GLU . 61.5 t30 -92.76 159.56 15.35 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 172.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -72.51 14.74 0.23 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.715 0.769 . . . . 0.0 111.477 -175.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 17' ' ' ASN . 7.8 pt-20 -106.42 8.66 31.69 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 67.17 38.93 3.24 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.415 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -99.99 117.37 34.14 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.215 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -90.77 135.85 33.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.299 0.571 . . . . 0.0 110.726 -176.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 t -143.37 172.89 12.15 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.413 HG22 ' SG ' ' A' ' 47' ' ' CYS . 29.8 pt -115.08 145.23 21.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.511 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 43.6 t-105 -141.42 141.61 23.66 Favored Pre-proline 0 C--N 1.313 -0.997 0 C-N-CA 122.94 0.496 . . . . 0.0 110.432 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.685 ' HB2' ' HG2' ' A' ' 29' ' ' LYS . 26.0 Cg_exo -62.19 139.33 77.43 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.382 2.721 . . . . 0.0 111.916 175.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.511 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 7.6 tp10 -69.31 -41.57 76.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -176.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -68.36 -23.23 64.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -171.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.685 ' HG2' ' HB2' ' A' ' 26' ' ' PRO . 18.0 ptpt -98.15 156.15 16.81 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.92 146.5 46.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.613 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.4 HD11 ' OE1' ' A' ' 13' ' ' GLN . 46.1 mt -87.46 142.49 33.14 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 177.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -53.9 128.54 30.08 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.174 1.916 . . . . 0.0 110.919 169.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -71.51 -7.36 47.06 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -171.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.15 -23.49 71.26 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 173.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -102.18 166.4 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -129.68 148.4 51.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.78 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.99 139.9 38.11 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -139.73 147.9 41.54 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.184 0.516 . . . . 0.0 112.051 -176.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.475 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . 58.02 -107.27 1.02 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.444 -0.798 . . . . 0.0 114.717 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.918 ' HD2' ' HB2' ' A' ' 50' ' ' TYR . 56.3 mttm -96.7 128.85 44.05 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.479 1.133 . . . . 0.0 112.275 -170.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.0 t -126.48 110.18 13.0 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.054 168.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.38 -124.84 0.93 Allowed Glycine 0 CA--C 1.51 -0.279 0 C-N-CA 120.321 -0.943 . . . . 0.0 113.146 -176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.23 165.87 15.3 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 124.234 0.608 . . . . 0.0 111.619 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.54 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 50.8 tttp -65.67 -53.83 35.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.209 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -64.36 -29.39 70.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.392 178.848 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.513 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 38.8 t70 -69.92 -38.51 76.25 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 120.8 0.333 . . . . 0.0 110.358 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.415 ' SG ' HG21 ' A' ' 14' ' ' VAL . 27.9 t -66.67 -47.39 72.63 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 121.47 0.652 . . . . 0.0 109.773 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 72.7 mt -56.75 -44.3 81.6 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.159 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.75 -42.1 67.83 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.715 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.918 ' HB2' ' HD2' ' A' ' 40' ' ' LYS . 73.5 t80 -53.21 -49.47 66.7 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.593 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 4.0 mp -65.21 -34.83 73.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.066 0.46 . . . . 0.0 110.872 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.78 -42.61 99.77 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.817 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 8.7 mm-40 -43.3 -62.21 1.12 Allowed 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.4 p . . . . . 0 CA--C 1.538 0.502 0 CA-C-N 121.779 2.081 . . . . 0.0 109.929 -7.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.655 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 54.1 mt-30 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 121.883 0.849 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -123.36 174.97 7.0 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.121 -1.399 . . . . 0.0 111.453 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 27.1 pt20 -139.51 150.44 45.13 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 113.547 -1.66 . . . . 0.0 107.132 169.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.416 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 61.6 t -93.06 127.98 44.83 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 O-C-N 121.485 -0.76 . . . . 0.0 109.217 -178.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 36' ' ' ARG . 20.1 m -113.81 137.44 46.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.865 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 5.9 p -128.54 132.78 67.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.433 HD22 ' HB2' ' A' ' 19' ' ' GLU . 37.9 p-10 -92.13 -163.43 1.04 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.822 0.344 . . . . 0.0 110.596 -175.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -82.74 -10.08 59.06 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.774 -0.579 . . . . 0.0 110.291 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.433 ' HB2' HD22 ' A' ' 17' ' ' ASN . 2.3 mp0 -98.01 13.9 29.28 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.753 178.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 53.45 32.13 13.43 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 125.498 1.519 . . . . 0.0 111.526 178.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.505 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 21.3 mt-30 -90.63 145.52 24.78 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 173.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -122.84 153.2 39.9 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-O 121.224 0.535 . . . . 0.0 112.029 -175.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.1 t -164.52 177.58 8.03 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.861 -178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.7 pt -119.05 132.81 67.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.721 0.772 . . . . 0.0 109.514 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.458 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 69.9 t-105 -125.74 141.4 39.12 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.236 -177.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.447 ' HD2' ' CD2' ' A' ' 25' ' ' TRP . 10.2 Cg_endo -55.63 130.45 40.51 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.102 1.868 . . . . 0.0 111.567 175.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -27.35 62.47 Favored 'General case' 0 N--CA 1.441 -0.884 0 O-C-N 121.128 -0.983 . . . . 0.0 111.057 -172.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -73.04 -19.47 61.18 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.35 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -100.09 152.2 20.51 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.414 0.626 . . . . 0.0 111.097 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -75.64 140.65 42.7 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.79 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.424 ' CG2' ' HB2' ' A' ' 35' ' ' TRP . 66.8 mt -65.72 136.23 95.83 Favored Pre-proline 0 C--N 1.317 -0.81 0 O-C-N 123.476 0.485 . . . . 0.0 110.532 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.28 138.3 82.99 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.542 2.161 . . . . 0.0 111.315 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -63.41 122.3 15.91 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 121.153 0.501 . . . . 0.0 110.127 -174.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.24 -20.9 6.98 Favored Glycine 0 C--N 1.311 -0.859 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -176.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.472 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 83.0 m95 -105.67 159.46 15.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 73.1 mtm180 -129.15 147.8 51.03 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.028 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB2' HD12 ' A' ' 31' ' ' ILE . . . -76.32 134.95 39.58 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.754 0.311 . . . . 0.0 110.414 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.416 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -155.16 169.29 24.48 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.073 -177.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.1 -132.14 16.38 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.246 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -125.56 130.7 52.22 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 110.741 -0.096 . . . . 0.0 110.741 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.0 m -95.3 129.6 42.37 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.652 -0.869 . . . . 0.0 108.652 174.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.655 ' O ' ' HA ' ' A' ' 11' ' ' GLN . . . 166.97 -128.84 1.8 Allowed Glycine 0 C--O 1.24 0.524 0 C-N-CA 119.958 -1.115 . . . . 0.0 112.242 -177.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.52 157.06 30.58 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.882 -0.775 . . . . 0.0 110.224 -175.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.574 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 74.6 tttt -51.7 -50.27 60.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.433 0.635 . . . . 0.0 111.008 177.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.564 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -63.03 -29.56 70.91 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.691 -177.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.564 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 37.9 t0 -72.5 -43.89 63.01 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 122.714 0.406 . . . . 0.0 110.565 -176.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.586 ' O ' HG12 ' A' ' 51' ' ' ILE . 79.0 m -66.24 -40.86 90.53 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.761 176.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 85.8 mt -58.46 -42.64 87.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.891 177.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.19 75.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.382 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -63.06 -33.3 75.14 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 124.067 0.854 . . . . 0.0 111.833 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.586 HG12 ' O ' ' A' ' 47' ' ' CYS . 25.2 mm -69.37 -34.66 63.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.486 0.66 . . . . 0.0 110.202 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.07 -35.26 74.77 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.965 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.405 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 15.3 mm-40 -48.49 -62.57 1.43 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -173.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.586 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.2 p . . . . . 0 C--O 1.243 0.753 0 CA-C-N 121.201 1.818 . . . . 0.0 111.254 -1.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.492 ' HG2' ' HA ' ' A' ' 43' ' ' LEU . 80.9 mt-30 . . . . . 0 N--CA 1.438 -1.048 0 CA-C-O 120.504 0.192 . . . . 0.0 110.502 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -129.66 179.65 5.71 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 122.671 1.224 . . . . 0.0 111.413 -171.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.585 ' NE2' HD11 ' A' ' 31' ' ' ILE . 16.3 pt20 -156.38 162.88 40.01 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 113.44 -1.709 . . . . 0.0 108.274 177.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 18.1 t -97.93 129.98 47.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.22 -175.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 15.5 m -120.89 148.25 24.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.263 0.554 . . . . 0.0 110.318 176.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 11.2 p -129.15 140.44 49.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.483 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -128.2 86.15 2.43 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 68.41 -46.94 0.54 Allowed 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 161.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.514 ' HB2' ' HG3' ' A' ' 21' ' ' GLN . 4.7 mp0 -93.03 6.73 46.91 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.918 -176.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 42.8 tt0 73.74 22.21 2.59 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -175.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.514 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 25.3 mt-30 -72.66 103.13 3.49 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.314 172.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 14.9 p90 -98.1 134.73 40.77 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 120.996 0.427 . . . . 0.0 110.759 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.6 t -143.99 179.36 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.415 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.51 HG22 ' SG ' ' A' ' 47' ' ' CYS . 41.7 pt -109.52 134.07 52.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-O 120.818 0.342 . . . . 0.0 110.834 -177.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.455 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 68.3 t-105 -129.94 138.55 33.35 Favored Pre-proline 0 C--N 1.315 -0.916 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.641 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 52.4 Cg_exo -53.84 134.0 57.05 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.458 2.105 . . . . 0.0 111.934 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.524 ' HA ' ' OE1' ' A' ' 13' ' ' GLN . 9.0 tm-20 -64.2 -31.44 72.64 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.551 -172.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -18.96 42.4 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.788 -175.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.641 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 98.3 mttt -92.76 155.17 17.85 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 121.862 0.839 . . . . 0.0 112.106 -170.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -75.57 124.32 27.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.537 -1.211 . . . . 0.0 109.749 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.585 HD11 ' NE2' ' A' ' 13' ' ' GLN . 65.5 mt -67.09 137.52 94.46 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -55.62 143.54 78.76 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.163 1.909 . . . . 0.0 112.497 174.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -56.38 -23.08 35.47 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -174.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.41 -20.93 55.84 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.17 -1.014 . . . . 0.0 112.225 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -100.7 146.95 26.57 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.553 0.692 . . . . 0.0 111.154 -174.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -117.93 139.49 51.08 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.716 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . . . -75.08 132.99 41.66 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 123.14 0.576 . . . . 0.0 110.513 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -147.72 159.4 43.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.169 0.509 . . . . 0.0 110.231 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.74 -131.84 11.41 Favored Glycine 0 C--O 1.246 0.844 0 C-N-CA 121.024 -0.608 . . . . 0.0 113.374 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -129.13 155.86 44.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.367 0.603 . . . . 0.0 110.665 -177.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' A' ' 13' ' ' GLN . 6.6 p -114.01 155.6 25.6 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.437 174.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.19 -151.66 21.4 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.492 ' HA ' ' HG2' ' A' ' 11' ' ' GLN . 3.5 mm? -62.73 171.6 2.01 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.156 0.503 . . . . 0.0 111.749 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 85.4 tttt -64.39 -50.62 66.95 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.994 0.426 . . . . 0.0 110.932 -177.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -29.6 70.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.844 -178.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.429 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 4.2 m-20 -62.95 -42.09 99.71 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.473 177.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.598 ' O ' HG12 ' A' ' 51' ' ' ILE . 18.8 t -75.33 -39.69 59.13 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -178.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 76.5 mt -60.48 -49.59 76.97 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 121.398 0.618 . . . . 0.0 111.165 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.05 -47.36 68.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.771 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.411 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 51.6 t80 -54.85 -41.73 71.13 Favored 'General case' 0 C--N 1.311 -1.105 0 O-C-N 124.29 0.994 . . . . 0.0 111.92 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.598 HG12 ' O ' ' A' ' 47' ' ' CYS . 21.4 mm -70.66 -34.98 59.03 Favored 'Isoleucine or valine' 0 C--O 1.248 1.0 0 CA-C-O 121.14 0.495 . . . . 0.0 110.894 -174.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.37 -40.09 95.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.411 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.598 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 20.3 mm-40 -46.03 -61.9 1.56 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -175.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.598 ' C ' ' HB2' ' A' ' 53' ' ' GLU . 3.8 p . . . . . 0 C--N 1.354 0.784 0 CA-C-N 121.72 2.055 . . . . 0.0 109.027 -5.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.822 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 27.4 mp0 . . . . . 0 C--O 1.239 0.508 0 CA-C-O 121.582 0.706 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -125.91 178.33 5.8 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.97 0.891 . . . . 0.0 111.108 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -139.82 146.65 39.66 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.361 -1.29 . . . . 0.0 107.662 169.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 50' ' ' TYR . 24.7 t -90.1 126.45 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 C-N-CA 119.322 -0.951 . . . . 0.0 108.787 -178.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.457 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 16.9 m -114.81 149.34 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-O 121.184 0.516 . . . . 0.0 110.62 178.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p -117.26 133.25 64.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.67 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -78.11 165.41 24.01 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -70.68 -1.41 11.23 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.455 0.645 . . . . 0.0 110.685 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.98 13.73 32.97 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.391 175.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 59.88 28.25 17.72 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.711 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.458 HE21 ' HB3' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -104.42 126.71 51.75 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -178.777 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -93.79 149.79 20.94 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.622 0.248 . . . . 0.0 111.474 -170.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -152.71 176.24 11.98 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.6 pt -113.72 140.14 35.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -135.86 127.3 17.22 Favored Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.561 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 44.5 Cg_exo -55.84 128.15 29.09 Favored 'Trans proline' 0 CA--C 1.512 -0.614 0 C-N-CA 122.435 2.09 . . . . 0.0 110.835 178.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.18 -36.59 80.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.742 0.306 . . . . 0.0 111.516 -168.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -66.43 -15.52 63.39 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.561 ' HE2' ' HG2' ' A' ' 26' ' ' PRO . 47.3 mtmt -96.49 149.3 21.9 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.203 0.525 . . . . 0.0 111.108 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -74.33 136.63 42.55 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.119 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 34.8 pt -80.07 146.83 64.07 Favored Pre-proline 0 C--O 1.243 0.719 0 O-C-N 122.002 -0.436 . . . . 0.0 110.215 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 7.3 Cg_exo -73.42 154.41 50.66 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 123.006 2.471 . . . . 0.0 111.376 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.41 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 7.0 tp60 -64.71 117.96 8.22 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.788 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.04 -18.6 5.87 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.024 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.457 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 76.3 m95 -103.53 145.57 29.83 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 10.6 mmt180 -125.07 143.23 51.02 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.56 129.38 39.53 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 121.398 0.618 . . . . 0.0 111.385 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.514 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . . . -80.08 -153.72 0.09 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.464 178.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.21 13.53 57.16 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.172 -1.013 . . . . 0.0 114.036 -170.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HD2' ' HD2' ' A' ' 50' ' ' TYR . 57.6 mttm -148.8 123.87 10.08 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 177.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.5 m -119.31 136.85 54.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.284 170.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.96 -165.27 37.54 Favored Glycine 0 C--N 1.317 -0.519 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.822 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 1.7 pt? -77.53 178.92 6.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 118.085 0.942 . . . . 0.0 110.213 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -46.13 -38.87 8.7 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.583 0.753 . . . . 0.0 112.702 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.538 ' H ' ' HG ' ' A' ' 43' ' ' LEU . 58.7 tptt -61.39 -50.05 74.41 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.21 -177.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -72.73 -34.26 66.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.857 0.837 . . . . 0.0 111.042 -176.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.445 ' HG ' HG21 ' A' ' 14' ' ' VAL . 37.5 t -70.06 -46.64 64.54 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.659 -177.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 tp -58.14 -46.36 85.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.966 176.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.66 -40.9 66.28 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.04 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.555 ' CD1' HG13 ' A' ' 14' ' ' VAL . 46.6 t80 -56.58 -39.85 74.23 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -177.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.576 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.8 mp -65.1 -35.54 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-O 121.412 0.625 . . . . 0.0 110.671 -178.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.11 -45.44 87.27 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.746 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.534 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 5.6 mm-40 -47.4 -60.96 2.15 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.749 1.281 . . . . 0.0 114.148 -171.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.576 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.7 p . . . . . 0 C--N 1.346 0.435 0 CA-C-N 121.758 2.072 . . . . 0.0 109.566 -3.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.466 0.336 0 CA-C-O 120.968 0.414 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.419 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 96.5 m-85 -124.95 177.38 6.08 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.795 0.807 . . . . 0.0 111.298 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' A' ' 27' ' ' GLU . 27.4 pt20 -147.48 157.28 43.51 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 173.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.569 ' HB ' ' HA3' ' A' ' 39' ' ' GLY . 58.6 t -97.59 125.94 50.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.742 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 28.0 m -117.02 156.07 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p -122.54 135.84 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-O 121.303 0.573 . . . . 0.0 110.77 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.504 ' HB2' ' CZ3' ' A' ' 35' ' ' TRP . 20.2 t-20 -85.19 173.27 10.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.587 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -68.4 -10.03 52.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.038 0.447 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -90.15 3.88 52.1 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 61.17 36.98 17.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.339 -1.301 . . . . 0.0 110.73 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -107.1 138.15 43.81 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 121.427 0.632 . . . . 0.0 109.371 176.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -92.48 139.72 30.3 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 122.167 0.984 . . . . 0.0 111.882 -174.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -139.32 171.54 14.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.113 -1.403 . . . . 0.0 107.996 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.0 pt -117.82 143.99 26.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.158 0.504 . . . . 0.0 110.963 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.401 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 63.3 t-105 -142.89 139.85 17.46 Favored Pre-proline 0 C--N 1.3 -1.576 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.237 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.88 125.87 20.52 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.343 2.029 . . . . 0.0 110.36 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.514 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 6.3 pt-20 -68.24 -27.03 66.0 Favored 'General case' 0 C--O 1.243 0.735 0 O-C-N 123.648 0.592 . . . . 0.0 111.798 -169.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -81.32 -12.77 58.95 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 122.828 0.451 . . . . 0.0 111.45 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -97.51 158.95 15.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.28 129.92 36.52 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.373 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.8 mt -71.47 127.99 90.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.172 177.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.08 157.25 35.3 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.399 2.066 . . . . 0.0 112.295 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -72.57 110.08 6.69 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.967 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.52 -16.86 3.33 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.397 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.504 ' CZ3' ' HB2' ' A' ' 17' ' ' ASN . 84.3 m95 -107.21 140.6 39.83 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.431 -0.452 . . . . 0.0 110.649 177.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -110.47 136.81 49.03 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.03 118.66 13.16 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -167.24 91.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.923 0.868 . . . . 0.0 111.579 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.569 ' HA3' ' HB ' ' A' ' 14' ' ' VAL . . . 164.96 -121.45 1.01 Allowed Glycine 0 CA--C 1.522 0.527 0 C-N-CA 119.117 -1.516 . . . . 0.0 112.327 175.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -129.32 137.86 51.25 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 114.806 -0.697 . . . . 0.0 109.542 -175.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -109.32 140.37 43.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.993 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.33 -141.17 8.11 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 119.699 -1.239 . . . . 0.0 111.422 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 43' ' ' LEU . 2.7 mm? -79.41 175.29 10.74 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.437 -0.382 . . . . 0.0 110.856 -177.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.628 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 55.6 tptt -56.12 -47.5 77.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.893 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.606 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -60.01 -32.78 71.2 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.452 -179.64 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.606 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 45.7 m-20 -69.63 -38.09 77.06 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 64.0 m -71.81 -44.72 63.46 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 124.178 0.924 . . . . 0.0 110.214 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 77.7 mt -55.14 -49.91 70.61 Favored 'General case' 0 C--O 1.242 0.676 0 O-C-N 124.033 0.833 . . . . 0.0 110.741 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.656 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -54.49 -47.41 73.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.254 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.534 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 89.8 t80 -53.82 -50.15 66.8 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 123.511 0.507 . . . . 0.0 112.288 -176.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.677 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 2.1 mp -64.33 -34.12 67.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.364 0.602 . . . . 0.0 110.849 -177.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -71.32 -31.44 67.41 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 121.488 -0.758 . . . . 0.0 112.594 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.656 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 5.2 mm-40 -44.5 -62.11 1.3 Allowed 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 118.731 -0.652 . . . . 0.0 112.628 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.677 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.8 p . . . . . 0 N--CA 1.471 0.584 0 CA-C-N 120.535 1.516 . . . . 0.0 111.104 -4.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -113.03 159.35 19.25 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.034 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.443 ' NE2' HD13 ' A' ' 31' ' ' ILE . 20.4 pt20 -134.85 147.82 49.99 Favored 'General case' 0 N--CA 1.435 -1.213 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.2 t -91.25 125.41 43.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 m -113.57 145.29 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.42 140.83 42.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.572 ' OD1' ' HG2' ' A' ' 21' ' ' GLN . 34.1 p-10 -92.9 -170.38 2.42 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -81.2 7.61 10.83 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.734 0.778 . . . . 0.0 111.374 -176.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -112.6 7.77 18.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.538 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 58.88 43.97 17.37 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.888 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.572 ' HG2' ' OD1' ' A' ' 17' ' ' ASN . 11.4 pt20 -107.71 143.84 35.66 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 171.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -112.77 143.26 44.3 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -168.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.5 m -154.11 174.76 14.28 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 174.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.3 pt -120.84 146.45 25.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.248 0.547 . . . . 0.0 110.304 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 46.1 t-105 -137.0 138.53 26.03 Favored Pre-proline 0 C--N 1.315 -0.902 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -176.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.26 130.78 33.52 Favored 'Trans proline' 0 C--O 1.223 -0.232 0 C-N-CA 122.128 1.885 . . . . 0.0 111.344 176.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.24 -23.96 67.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.028 0.83 . . . . 0.0 111.697 -172.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -67.13 -26.68 66.8 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -100.55 146.63 26.86 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.99 0.424 . . . . 0.0 111.364 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -71.27 139.25 49.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.934 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.443 HD13 ' NE2' ' A' ' 13' ' ' GLN . 41.3 mt -68.88 137.45 90.03 Favored Pre-proline 0 C--O 1.237 0.422 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.726 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -58.51 141.7 97.49 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.599 2.199 . . . . 0.0 110.792 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -67.91 114.27 6.33 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.75 -24.05 2.76 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -108.21 161.25 15.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.954 -0.623 . . . . 0.0 109.718 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -134.55 146.05 49.29 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.08 135.47 44.81 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.486 -178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.21 12.25 22.92 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.672 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.18 -6.46 71.66 Favored Glycine 0 N--CA 1.462 0.386 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.348 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -106.52 110.65 22.92 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.027 0.441 . . . . 0.0 111.726 -174.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.4 t -124.16 148.32 47.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.959 174.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.83 -163.75 37.4 Favored Glycine 0 C--N 1.312 -0.786 0 C-N-CA 121.209 -0.519 . . . . 0.0 112.232 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.59 174.31 7.69 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.895 0.379 . . . . 0.0 110.765 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.603 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 21.7 ttmm -59.49 -53.34 59.2 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.352 -177.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.594 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -56.87 -33.17 66.59 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.901 -177.23 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.594 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 1.9 t70 -70.79 -39.67 73.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.594 -175.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.63 ' O ' HG12 ' A' ' 51' ' ' ILE . 66.5 m -73.75 -42.33 61.24 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.478 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 88.2 mt -57.97 -47.6 82.47 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.435 178.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.25 -40.26 77.26 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 124.023 0.827 . . . . 0.0 110.946 176.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -65.11 -38.89 92.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.381 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.63 HG12 ' O ' ' A' ' 47' ' ' CYS . 22.8 mm -71.32 -34.35 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 121.162 0.506 . . . . 0.0 109.846 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.16 -37.01 78.87 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 123.243 0.617 . . . . 0.0 111.681 175.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.605 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 75.1 mm-40 -44.65 -61.13 1.68 Allowed 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -176.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.605 ' C ' ' HB2' ' A' ' 53' ' ' GLU . 2.7 p . . . . . 0 N--CA 1.476 0.831 0 O-C-N 119.279 -2.138 . . . . 0.0 108.782 -2.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 . . . . . 0 C--O 1.235 0.337 0 CA-C-O 121.116 0.484 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -124.41 164.24 20.08 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 122.61 1.195 . . . . 0.0 111.687 -176.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -139.76 148.71 42.64 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.278 -1.328 . . . . 0.0 108.262 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -90.22 121.82 40.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.5 m -115.41 147.91 18.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-O 121.634 0.731 . . . . 0.0 110.702 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' A' ' 20' ' ' GLU . 14.2 p -130.88 137.38 56.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.122 179.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -84.81 175.78 8.93 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.411 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 40.2 m80 -70.83 -4.29 23.36 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 177.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -96.26 7.7 45.77 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.422 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 47.1 mt-10 55.61 29.18 13.1 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.925 178.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -94.72 138.58 32.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.686 171.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -98.87 151.16 21.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.243 0.544 . . . . 0.0 110.637 -173.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.8 m -154.76 171.76 19.06 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.493 -1.23 . . . . 0.0 109.76 172.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.1 pt -113.0 128.53 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 O-C-N 121.677 -0.639 . . . . 0.0 110.603 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -128.98 135.85 28.27 Favored Pre-proline 0 N--CA 1.445 -0.678 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.049 -175.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -57.95 136.51 75.6 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 121.92 1.747 . . . . 0.0 111.129 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.56 -45.4 90.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.065 0.46 . . . . 0.0 111.288 -172.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -69.1 -17.72 63.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.464 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 29' ' ' LYS . 23.0 ttmm -86.33 142.4 28.52 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.921 -177.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -80.41 130.77 35.38 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 25.7 pt -83.12 144.69 47.64 Favored Pre-proline 0 C--O 1.241 0.611 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.547 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 13.2 Cg_exo -67.59 155.35 70.49 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.149 1.9 . . . . 0.0 110.732 174.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -74.4 124.94 27.45 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.443 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.411 ' HA2' ' CE1' ' A' ' 18' ' ' HIS . . . 131.18 -26.76 3.9 Favored Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -173.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -102.53 150.21 23.62 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.144 -0.528 . . . . 0.0 109.598 176.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -141.88 161.81 37.04 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 123.347 0.404 . . . . 0.0 110.413 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.19 114.24 6.51 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 123.472 0.482 . . . . 0.0 110.384 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.27 -54.56 14.03 Favored 'General case' 0 C--O 1.205 -1.238 0 C-N-CA 122.781 0.433 . . . . 0.0 111.259 -176.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.66 -99.6 0.18 Allowed Glycine 0 C--O 1.24 0.496 0 C-N-CA 119.634 -1.27 . . . . 0.0 112.97 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -101.4 147.09 26.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.027 0.442 . . . . 0.0 110.928 -172.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 p -131.62 154.01 49.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.306 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.94 -127.35 1.47 Allowed Glycine 0 C--O 1.225 -0.458 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.734 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.587 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 4.3 mm? -80.03 175.46 10.61 Favored 'General case' 0 C--O 1.247 0.943 0 CA-C-O 120.538 0.209 . . . . 0.0 110.701 177.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.638 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 84.2 tttt -56.99 -45.62 82.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.022 0.439 . . . . 0.0 111.024 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.587 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -59.3 -31.25 68.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.993 178.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.472 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 10.7 t70 -66.39 -48.98 68.39 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.759 -177.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.0 p -70.71 -35.94 72.99 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 121.484 0.659 . . . . 0.0 110.772 -176.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 77.1 mt -57.54 -49.69 75.53 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.618 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.512 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -57.18 -40.49 77.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.888 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 60.7 t80 -59.02 -40.65 85.62 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.421 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.602 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -67.54 -34.88 71.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.861 0.362 . . . . 0.0 110.235 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.98 -33.02 74.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.08 177.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.523 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 5.7 mm-40 -46.76 -61.54 1.8 Allowed 'General case' 0 CA--C 1.543 0.686 0 O-C-N 124.493 1.121 . . . . 0.0 112.775 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.602 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.4 p . . . . . 0 N--CA 1.472 0.636 0 CA-C-N 121.51 1.959 . . . . 0.0 108.706 -7.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 121.278 0.561 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.519 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . 7.5 m-85 -131.48 -178.94 5.08 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 122.257 1.027 . . . . 0.0 111.131 -176.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.429 ' HB3' ' HG ' ' A' ' 41' ' ' SER . 19.3 pt20 -156.24 161.5 40.25 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.6 t -98.78 133.92 39.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 O-C-N 123.557 0.535 . . . . 0.0 110.068 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.486 HG12 HG21 ' A' ' 31' ' ' ILE . 17.0 m -115.66 142.18 29.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 O-C-N 123.773 0.671 . . . . 0.0 110.167 177.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 38' ' ' ALA . 14.5 p -113.83 136.2 51.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.691 0.757 . . . . 0.0 111.796 -174.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -82.1 164.96 20.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.204 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -68.63 -3.91 13.6 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.859 0.838 . . . . 0.0 111.983 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.419 ' HB2' HE22 ' A' ' 21' ' ' GLN . 45.0 mt-10 -114.44 17.04 17.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.613 176.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 57.9 49.31 12.12 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.962 1.305 . . . . 0.0 112.398 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.419 HE22 ' HB2' ' A' ' 19' ' ' GLU . 1.1 mp0 -91.71 140.59 29.56 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 167.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -108.75 121.9 46.02 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -177.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.6 m -128.48 163.88 23.96 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.2 pt -108.81 139.67 30.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 C-N-CA 120.376 -0.53 . . . . 0.0 109.999 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -142.22 132.94 12.77 Favored Pre-proline 0 N--CA 1.445 -0.695 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.51 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -55.11 126.74 23.58 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.771 2.314 . . . . 0.0 112.402 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -5.4 32.02 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.257 0.551 . . . . 0.0 111.908 -174.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -72.35 -38.41 68.58 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.14 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -100.47 166.26 11.03 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 123.824 0.703 . . . . 0.0 110.507 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -73.51 143.51 46.53 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.472 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.486 HG21 HG12 ' A' ' 15' ' ' VAL . 66.8 mt -61.13 135.6 93.49 Favored Pre-proline 0 C--O 1.239 0.516 0 C-N-CA 122.788 0.435 . . . . 0.0 110.621 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.3 135.81 46.47 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.875 2.383 . . . . 0.0 111.15 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -62.55 121.12 12.52 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.678 0.751 . . . . 0.0 111.272 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.91 -15.63 18.85 Favored Glycine 0 C--O 1.227 -0.318 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.26 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.462 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 50.9 m95 -105.81 164.13 12.18 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 123.852 0.383 . . . . 0.0 110.884 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 94.4 mtt180 -139.36 155.8 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.229 0.331 . . . . 0.0 110.212 177.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.93 126.39 29.55 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.726 0.298 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.465 ' HB3' ' HB ' ' A' ' 16' ' ' VAL . . . -118.4 132.24 56.26 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.582 -176.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.2 -91.99 1.04 Allowed Glycine 0 C--N 1.309 -0.951 0 O-C-N 123.984 0.803 . . . . 0.0 113.792 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.548 ' HZ1' ' HB2' ' A' ' 50' ' ' TYR . 23.4 pttm -151.55 167.91 26.57 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.655 0.74 . . . . 0.0 111.63 -174.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.429 ' HG ' ' HB3' ' A' ' 13' ' ' GLN . 23.2 t -125.98 159.72 31.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.412 177.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.47 -137.21 5.47 Favored Glycine 0 CA--C 1.498 -1.021 0 CA-C-O 119.635 -0.536 . . . . 0.0 111.775 -178.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.445 ' HB2' ' OD2' ' A' ' 46' ' ' ASP . 3.9 mm? -67.35 158.73 30.91 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 117.472 0.636 . . . . 0.0 109.544 175.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.564 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 24.9 ttpp -63.33 -42.18 98.95 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.098 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -29.48 70.54 Favored 'General case' 0 N--CA 1.44 -0.939 0 O-C-N 123.897 0.748 . . . . 0.0 111.02 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.445 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 67.0 m-20 -71.41 -33.41 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.7 m -75.34 -38.42 60.19 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.453 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 75.8 mt -60.84 -42.09 97.1 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.744 173.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.61 74.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.756 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.702 ' HA ' ' HG3' ' A' ' 53' ' ' GLU . 75.2 t80 -58.17 -34.09 69.93 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.683 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -70.99 -33.03 50.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.305 0.574 . . . . 0.0 110.059 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -64.51 -41.05 96.64 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.7 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.702 ' HG3' ' HA ' ' A' ' 50' ' ' TYR . 4.3 mt-10 -46.91 -61.38 1.89 Allowed 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 118.04 -0.981 . . . . 0.0 113.309 -174.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.683 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.5 p . . . . . 0 C--N 1.342 0.27 0 CA-C-N 121.251 1.841 . . . . 0.0 110.221 -2.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 . . . . . 0 C--O 1.246 0.873 0 CA-C-O 121.852 0.834 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -128.4 179.95 5.36 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.704 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -149.07 155.18 40.36 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.849 ' HB ' ' HA3' ' A' ' 39' ' ' GLY . 41.7 t -99.68 123.54 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.202 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -117.24 163.31 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-O 121.056 0.455 . . . . 0.0 109.924 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 p -129.08 144.34 38.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.495 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -91.76 -178.23 4.99 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 176.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -77.89 -4.2 45.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.154 0.502 . . . . 0.0 110.925 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HB2' ' HG3' ' A' ' 21' ' ' GLN . 14.6 mp0 -104.85 8.51 34.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.027 0.441 . . . . 0.0 110.072 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 70.01 22.38 5.78 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 122.341 1.067 . . . . 0.0 109.635 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.479 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 23.5 mt-30 -78.08 127.34 32.17 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.369 171.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -103.31 144.41 31.39 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 123.358 0.411 . . . . 0.0 110.953 -176.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 t -151.45 176.1 11.63 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.8 pt -110.94 145.2 17.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.439 0.637 . . . . 0.0 111.434 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -140.54 142.05 27.6 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 115.168 -0.923 . . . . 0.0 108.601 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.663 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 52.1 Cg_exo -52.69 128.84 29.83 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.757 1.638 . . . . 0.0 111.92 176.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HG3' ' HB3' ' A' ' 41' ' ' SER . 4.9 tm-20 -64.89 -31.45 72.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.581 0.551 . . . . 0.0 111.481 -174.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.461 ' OH ' ' HE2' ' A' ' 29' ' ' LYS . 19.8 p90 -84.55 -12.51 54.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.602 -175.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.663 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 62.3 mttm -95.09 158.13 15.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 119.58 -0.248 . . . . 0.0 110.441 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -82.04 132.12 35.25 Favored 'General case' 0 N--CA 1.441 -0.895 0 O-C-N 124.109 0.881 . . . . 0.0 110.18 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.6 mt -74.39 137.4 74.82 Favored Pre-proline 0 N--CA 1.451 -0.389 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.201 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.25 146.94 96.84 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 122.579 2.186 . . . . 0.0 112.121 175.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.41 96.47 6.05 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -175.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.48 -23.13 0.43 Allowed Glycine 0 C--N 1.306 -1.118 0 CA-C-N 113.899 -1.5 . . . . 0.0 109.806 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -107.73 146.44 32.11 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -126.45 139.83 52.94 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.78 126.08 28.8 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.8 -15.48 2.06 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.224 0.535 . . . . 0.0 111.858 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.849 ' HA3' ' HB ' ' A' ' 14' ' ' VAL . . . -109.52 -176.75 21.27 Favored Glycine 0 N--CA 1.439 -1.148 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.619 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -80.18 170.55 16.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.744 0.307 . . . . 0.0 110.557 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.418 ' HB3' ' HG3' ' A' ' 27' ' ' GLU . 4.7 m -122.54 149.22 44.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.671 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.15 -149.84 20.03 Favored Glycine 0 C--O 1.222 -0.614 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.12 161.23 19.44 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.613 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 88.2 tttt -63.64 -47.38 81.55 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.082 -175.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -61.54 -34.44 75.56 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.879 -179.167 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.423 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 35.4 t70 -68.37 -37.47 80.47 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.804 0.811 . . . . 0.0 110.312 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.0 m -70.43 -40.51 73.76 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.128 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 84.3 mt -60.07 -42.31 94.26 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 121.29 0.567 . . . . 0.0 110.788 176.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.4 -40.16 77.68 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.912 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.541 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 68.2 t80 -57.13 -42.64 81.33 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.304 176.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.532 ' HA ' HG22 ' A' ' 54' ' ' VAL . 1.7 mp -60.47 -34.75 59.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-O 121.272 0.558 . . . . 0.0 110.272 -177.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.43 -43.09 99.66 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.5 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.588 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 21.9 mm-40 -45.68 -62.96 1.08 Allowed 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.909 0.755 . . . . 0.0 112.762 -174.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.588 ' C ' ' HB2' ' A' ' 53' ' ' GLU . 2.2 p . . . . . 0 N--CA 1.483 1.192 0 CA-C-N 121.981 2.173 . . . . 0.0 110.507 -1.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.769 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 88.9 mt-30 . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.657 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 97.9 m-85 -122.02 177.17 5.43 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 122.443 1.116 . . . . 0.0 111.661 -174.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -138.91 146.4 41.03 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 113.733 -1.576 . . . . 0.0 106.956 169.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.36 121.23 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.843 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.619 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.416 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 16.4 m -114.76 146.71 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-O 121.256 0.55 . . . . 0.0 110.787 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -118.77 134.59 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-O 121.158 0.504 . . . . 0.0 110.474 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -89.15 168.39 12.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.74 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -71.26 2.06 5.25 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 121.178 0.513 . . . . 0.0 111.623 -175.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -104.73 9.1 35.15 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.455 0.645 . . . . 0.0 109.822 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 59.6 48.97 8.91 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.177 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -116.54 130.06 56.54 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.707 170.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -92.24 147.81 22.64 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.762 0.791 . . . . 0.0 111.781 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.9 m -149.92 170.25 19.26 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.2 pt -120.49 128.99 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.929 0 CA-C-O 121.234 0.54 . . . . 0.0 110.93 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -118.18 132.09 23.9 Favored Pre-proline 0 C--N 1.309 -1.183 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.168 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.39 116.15 2.98 Favored 'Trans proline' 0 C--N 1.334 -0.218 0 C-N-CA 121.913 1.742 . . . . 0.0 112.232 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -51.54 -26.7 9.02 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.468 ' HE2' ' H ' ' A' ' 11' ' ' GLN . 27.8 m-85 -61.1 -39.99 92.04 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.405 0.622 . . . . 0.0 110.873 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -96.19 153.32 17.86 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.525 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -81.8 135.17 35.47 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.25 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 23.9 pt -72.97 155.52 90.41 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 121.217 0.532 . . . . 0.0 111.385 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 4.9 Cg_endo -85.4 159.3 11.05 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 123.202 2.601 . . . . 0.0 111.55 174.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -64.79 130.14 42.41 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.204 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.78 -16.48 8.9 Favored Glycine 0 C--N 1.31 -0.879 0 C-N-CA 120.253 -0.975 . . . . 0.0 111.801 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.416 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 91.4 m95 -107.94 144.99 34.45 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.051 0.453 . . . . 0.0 110.034 175.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -118.03 133.8 55.57 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 116.334 -0.394 . . . . 0.0 109.978 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.25 124.77 28.3 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -173.57 102.61 0.12 Allowed 'General case' 0 C--O 1.242 0.677 0 CA-C-O 121.135 0.493 . . . . 0.0 111.425 -170.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.58 -89.09 0.14 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.273 -0.965 . . . . 0.0 113.367 174.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -136.86 132.18 34.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.095 0.474 . . . . 0.0 110.296 -175.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 m -118.84 117.96 30.27 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.932 175.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.34 -150.49 10.17 Favored Glycine 0 CA--C 1.501 -0.786 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.769 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -92.88 176.58 6.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.763 0.782 . . . . 0.0 111.566 178.494 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -46.54 -51.34 15.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.872 0.869 . . . . 0.0 113.267 -174.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.518 ' C ' ' HD2' ' A' ' 45' ' ' LYS . 1.1 tmmt? -62.76 -47.09 85.05 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.26 -0.176 . . . . 0.0 111.303 -174.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -70.0 -32.79 71.14 Favored 'General case' 0 CA--C 1.508 -0.671 0 O-C-N 123.571 0.545 . . . . 0.0 110.773 -175.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 51.8 m -66.05 -53.35 39.48 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.921 0.867 . . . . 0.0 110.146 176.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.6 tp -55.57 -49.55 72.44 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.256 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.676 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -52.14 -41.22 62.35 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 123.957 0.786 . . . . 0.0 111.386 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 76.2 t80 -59.67 -47.7 84.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.401 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.526 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.9 mp -68.8 -38.21 78.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 O-C-N 121.44 -0.788 . . . . 0.0 111.633 -171.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.71 -36.96 85.59 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.443 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.676 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 52.4 mm-40 -50.04 -62.98 1.26 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.526 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.7 p . . . . . 0 CA--C 1.542 0.643 0 CA-C-N 121.436 1.926 . . . . 0.0 110.786 -2.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.339 0 CA-C-O 121.588 0.709 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -121.57 172.86 7.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.354 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.484 ' NE2' ' HA ' ' A' ' 27' ' ' GLU . 28.3 pt20 -145.19 152.78 40.55 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.077 -0.965 . . . . 0.0 108.683 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.75 129.68 44.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.871 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.9 m -114.49 141.57 30.42 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 C-N-CA 119.963 -0.695 . . . . 0.0 110.028 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 13.9 p -121.67 138.26 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.549 -177.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.458 ' HB3' ' HB3' ' A' ' 21' ' ' GLN . 61.9 t30 -90.87 164.34 14.08 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 175.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -73.93 16.05 0.25 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.145 0.498 . . . . 0.0 111.227 -176.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' A' ' 17' ' ' ASN . 33.8 mt-10 -102.56 5.11 39.14 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 170.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 63.78 41.89 6.56 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -171.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 7.6 tp-100 -94.06 120.14 33.9 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.004 -177.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -95.59 128.54 42.54 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.846 0.355 . . . . 0.0 111.741 -175.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -148.16 170.27 18.2 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 pt -119.03 149.48 21.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 O-C-N 121.993 -0.442 . . . . 0.0 110.434 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.432 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 68.1 t-105 -147.27 138.74 13.39 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.97 132.71 53.89 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.744 2.296 . . . . 0.0 112.09 175.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 44.4 tt0 -71.28 -25.82 62.61 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.791 0.329 . . . . 0.0 111.295 -175.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -64.91 -27.61 68.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.418 0.627 . . . . 0.0 110.817 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -96.2 147.86 23.31 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.478 -175.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -68.51 143.39 54.98 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.2 mt -69.4 129.88 91.3 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -56.45 148.14 64.51 Favored 'Trans proline' 0 C--O 1.243 0.763 0 C-N-CA 122.801 2.334 . . . . 0.0 113.176 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -64.93 121.13 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.371 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.5 -20.79 7.33 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.797 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -105.51 155.1 19.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.039 0.447 . . . . 0.0 110.099 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.509 ' HE ' ' HA ' ' A' ' 36' ' ' ARG . 2.3 tpm_? -125.02 144.13 50.55 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.99 131.04 44.74 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 121.109 0.481 . . . . 0.0 110.9 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.01 112.14 23.37 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.85 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.53 87.93 0.01 OUTLIER Glycine 0 N--CA 1.471 0.972 0 O-C-N 124.709 1.256 . . . . 0.0 115.822 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.75 ' HG2' ' HB2' ' A' ' 50' ' ' TYR . 46.9 tptt -170.85 98.07 0.22 Allowed 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 171.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 p -130.81 149.81 52.27 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 123.541 0.526 . . . . 0.0 110.518 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.07 -143.7 10.23 Favored Glycine 0 C--N 1.308 -0.999 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.439 ' HB2' ' HE3' ' A' ' 45' ' ' LYS . 4.1 mm? -68.2 153.07 44.48 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.105 176.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.571 ' HZ1' HD12 ' A' ' 48' ' ' LEU . 53.4 tttm -51.69 -40.87 60.88 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.192 0.597 . . . . 0.0 110.727 -176.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.64 -32.4 71.57 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -179.363 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.425 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 38.3 t70 -69.57 -37.59 77.05 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.257 0.551 . . . . 0.0 110.477 -177.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.8 m -71.64 -37.42 70.84 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-O 121.322 0.582 . . . . 0.0 109.875 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.571 HD12 ' HZ1' ' A' ' 44' ' ' LYS . 78.9 mt -61.98 -42.98 99.74 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.946 176.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.437 ' HA ' ' OE2' ' A' ' 52' ' ' GLU . . . -57.04 -40.72 77.33 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.225 177.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.75 ' HB2' ' HG2' ' A' ' 40' ' ' LYS . 89.9 t80 -53.7 -49.47 67.98 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 123.673 0.608 . . . . 0.0 111.478 176.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.547 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.8 mp -61.08 -35.08 63.03 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 121.312 0.577 . . . . 0.0 110.417 -179.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' OE2' ' HA ' ' A' ' 49' ' ' ALA . 49.4 mt-10 -59.29 -44.5 92.49 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.671 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.497 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 23.6 mm-40 -45.52 -62.76 1.15 Allowed 'General case' 0 N--CA 1.475 0.784 0 O-C-N 124.703 1.252 . . . . 0.0 113.546 -174.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.547 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.6 p . . . . . 0 N--CA 1.465 0.298 0 CA-C-N 121.445 1.929 . . . . 0.0 109.921 -3.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mtp . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 t -98.41 153.77 18.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.938 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 m -107.32 15.89 24.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.792 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.8 -46.87 93.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.221 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.418 ' HD2' ' HD2' ' A' ' 7' ' ' ARG . 74.4 t80 65.92 114.93 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.371 1.044 . . . . 0.0 110.541 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.8 115.16 20.16 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.646 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -140.88 53.81 1.58 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.012 0.434 . . . . 0.0 109.908 177.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.25 65.65 2.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.486 -174.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -105.95 110.15 22.34 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.6 tt -97.43 114.11 33.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -96.16 149.04 22.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.123 0.964 . . . . 0.0 111.49 -173.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -130.36 178.51 6.53 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 113.812 -1.54 . . . . 0.0 108.589 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -145.47 159.26 43.36 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.019 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.471 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 82.8 t -96.33 127.77 48.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.0 m -116.21 145.42 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-O 121.207 0.527 . . . . 0.0 111.186 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.0 p -120.4 133.96 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-O 121.506 0.67 . . . . 0.0 110.451 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.632 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 44.3 t30 -89.7 170.16 10.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.793 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -69.11 -4.02 15.65 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 121.08 0.466 . . . . 0.0 111.514 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.32 9.85 41.18 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 171.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 53.59 39.13 29.69 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 124.036 0.934 . . . . 0.0 112.431 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.632 ' HG2' ' HB3' ' A' ' 17' ' ' ASN . 20.9 pt20 -96.99 148.04 23.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.005 174.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.416 ' CE2' HG12 ' A' ' 54' ' ' VAL . 50.2 m-85 -108.75 122.79 47.89 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.49 0.662 . . . . 0.0 110.548 -173.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -131.84 173.76 10.84 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -177.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.6 pt -113.21 151.35 15.1 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 CA-C-O 121.041 0.448 . . . . 0.0 110.242 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -147.82 136.47 11.42 Favored Pre-proline 0 N--CA 1.446 -0.639 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -63.58 140.24 74.25 Favored 'Trans proline' 0 N--CA 1.479 0.662 0 C-N-CA 122.163 1.909 . . . . 0.0 112.501 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -61.66 -25.69 67.54 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.72 0.772 . . . . 0.0 111.842 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -87.94 -4.19 58.85 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.316 -172.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -111.38 146.11 37.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.43 0.633 . . . . 0.0 110.306 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.19 138.17 45.5 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.969 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.3 mt -76.33 136.24 68.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -58.97 140.75 96.74 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 121.95 1.767 . . . . 0.0 110.813 174.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -63.63 122.26 15.93 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.969 0.793 . . . . 0.0 110.795 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.47 -13.32 7.38 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.531 -176.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -117.49 162.64 17.65 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -142.12 161.8 37.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.92 141.52 34.45 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.204 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.471 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -149.92 164.38 35.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.505 -178.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.1 -125.16 9.46 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.193 -1.003 . . . . 0.0 112.465 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -127.36 145.73 50.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.526 -0.337 . . . . 0.0 111.007 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 m -103.26 147.36 27.15 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.81 -145.18 10.16 Favored Glycine 0 C--O 1.217 -0.958 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.55 -176.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 43' ' ' LEU . 3.2 mm? -74.06 168.6 19.2 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 117.133 0.466 . . . . 0.0 110.22 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.599 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 28.9 ttpp -62.35 -41.64 98.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.089 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -60.24 -31.98 70.71 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 123.606 0.566 . . . . 0.0 112.004 177.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.435 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 24.1 m-20 -67.58 -37.82 83.17 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.45 0.643 . . . . 0.0 110.49 176.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.0 m -72.75 -41.62 64.91 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.568 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 69.1 mt -59.66 -51.2 70.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.893 0.378 . . . . 0.0 110.503 178.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.18 -45.77 83.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.679 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.58 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 87.4 t80 -57.92 -51.53 69.24 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 123.954 0.784 . . . . 0.0 112.386 -178.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.576 ' HA ' HG21 ' A' ' 54' ' ' VAL . 1.7 mp -61.51 -33.88 59.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 CA-C-O 121.023 0.439 . . . . 0.0 110.707 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.77 -43.61 94.25 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.209 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.652 ' O ' HD21 ' A' ' 61' ' ' LEU . 4.3 mm-40 -49.18 -61.07 2.28 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -174.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.643 ' C ' ' HB2' ' A' ' 53' ' ' GLU . 2.8 p -86.74 -28.3 5.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 O-C-N 119.153 -2.217 . . . . 0.0 108.236 -5.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -112.99 151.86 30.11 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 157.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' A' ' 53' ' ' GLU . 10.0 t -141.78 137.3 31.47 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.503 -174.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -140.62 -37.8 0.45 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.117 0.567 . . . . 0.0 110.726 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 81.3 mtp -88.33 -51.0 5.98 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.477 0.656 . . . . 0.0 110.474 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -154.46 131.21 5.85 Favored Pre-proline 0 N--CA 1.442 -0.844 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.562 -173.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -78.68 96.2 1.09 Allowed 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.123 1.882 . . . . 0.0 111.11 173.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.652 HD21 ' O ' ' A' ' 53' ' ' GLU . 0.3 OUTLIER -72.45 0.84 9.17 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -175.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.0 p -62.4 -9.28 7.83 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.688 0.756 . . . . 0.0 109.924 168.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 pp -60.96 -25.55 66.91 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.701 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 39.4 ptt180 -71.68 -17.7 62.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.961 0.41 . . . . 0.0 110.384 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.553 ' CB ' ' HA ' ' A' ' 71' ' ' ALA . 11.3 mm-40 -87.43 -0.43 56.78 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.907 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -81.48 -18.56 44.76 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 172.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 24.4 mmt -73.59 -36.08 65.48 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.175 173.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.43 -72.58 0.16 Allowed 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.296 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -146.86 -77.08 0.18 Allowed 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.28 26.75 0.86 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -174.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.553 ' HA ' ' CB ' ' A' ' 65' ' ' GLN . . . 66.11 22.6 11.09 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.106 0.479 . . . . 0.0 111.887 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.851 0 CA-C-O 117.963 -1.465 . . . . 0.0 112.226 179.694 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.825 0.345 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 m -132.9 114.69 14.34 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.134 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 m -76.17 88.28 3.05 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.7 p -53.13 -52.16 32.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.91 -174.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.1 t80 179.75 89.53 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.456 0.646 . . . . 0.0 109.831 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -106.74 124.23 49.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.918 177.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -89.83 -50.77 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.527 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -85.79 -41.83 14.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.491 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.58 ' HA ' ' HE3' ' A' ' 44' ' ' LYS . 6.5 t70 -84.08 85.24 7.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.953 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.3 pt -90.08 -162.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.059 -177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 2.6 mp0 -95.62 121.71 37.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.605 0.717 . . . . 0.0 110.622 -174.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -124.87 177.22 6.13 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.73 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -149.04 153.48 37.92 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.515 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 47.7 t -92.06 129.21 43.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -114.18 138.69 43.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.325 0.583 . . . . 0.0 110.569 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 20' ' ' GLU . 8.0 p -117.41 130.81 71.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.728 0.775 . . . . 0.0 109.572 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -79.77 170.42 16.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.307 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -68.78 -1.61 7.49 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.874 0.845 . . . . 0.0 110.885 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -111.02 16.3 21.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.138 174.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.482 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 12.7 pt-20 49.58 49.1 20.53 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 122.918 1.342 . . . . 0.0 110.85 -177.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 3.1 tp-100 -92.85 128.68 38.8 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.157 172.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -96.76 136.92 36.62 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.007 0.432 . . . . 0.0 111.834 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -154.3 173.2 16.49 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.196 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 pt -112.3 144.68 19.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -143.75 135.99 13.27 Favored Pre-proline 0 C--N 1.316 -0.89 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -59.53 127.37 23.52 Favored 'Trans proline' 0 CA--C 1.516 -0.378 0 C-N-CA 122.023 1.815 . . . . 0.0 111.506 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' HG2' ' HB3' ' A' ' 11' ' ' GLN . 5.6 pt-20 -70.75 -14.93 62.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.057 0.456 . . . . 0.0 111.468 -172.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -65.65 -32.75 74.49 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.718 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -103.0 157.31 17.07 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.829 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -75.71 150.91 37.75 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.893 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.1 mt -77.69 135.7 63.97 Favored Pre-proline 0 C--N 1.322 -0.617 0 C-N-CA 123.235 0.614 . . . . 0.0 110.38 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -57.17 143.6 92.82 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 122.257 1.971 . . . . 0.0 111.202 172.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -68.05 122.02 17.35 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.24 -20.33 5.61 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -173.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -118.09 159.81 22.59 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 124.604 0.826 . . . . 0.0 109.004 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -136.24 152.15 50.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.994 0.184 . . . . 0.0 110.523 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.13 134.07 44.34 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.67 0.272 . . . . 0.0 110.747 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.515 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -153.85 167.37 29.9 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -177.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.68 -105.04 1.64 Allowed Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 114.944 0.738 . . . . 0.0 114.944 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -128.62 141.23 51.42 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.075 0.464 . . . . 0.0 111.129 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 t -123.6 117.0 24.03 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 173.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' A' ' 11' ' ' GLN . . . 172.45 -130.02 1.83 Allowed Glycine 0 CA--C 1.494 -1.28 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.973 -173.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.444 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 4.0 mm? -75.41 156.65 35.14 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.745 0.273 . . . . 0.0 110.852 178.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.623 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 27.7 ttpp -59.91 -41.28 91.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.049 0.452 . . . . 0.0 110.942 -178.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.444 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -63.31 -30.65 71.75 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.616 -179.135 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -72.48 -35.54 68.23 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.346 1.029 . . . . 0.0 110.529 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.7 m -73.26 -44.78 58.72 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.889 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 66.2 mt -55.98 -44.06 78.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.403 0.62 . . . . 0.0 110.343 176.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.16 -48.7 67.77 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.379 177.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.546 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 92.3 t80 -54.67 -46.27 74.03 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.426 -177.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.664 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 2.0 mp -64.36 -34.89 72.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.495 -176.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.1 -42.09 99.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.08 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.478 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 16.2 mm-40 -46.49 -60.96 2.03 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -172.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.664 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.9 p -99.46 -42.25 10.43 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 CA-C-N 120.703 1.592 . . . . 0.0 111.456 -3.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.9 t90 -112.51 30.84 6.77 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.6 t -133.54 138.17 45.93 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.792 -175.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -122.01 79.29 1.57 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.037 0.446 . . . . 0.0 109.851 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 66.6 mtt -130.05 -48.12 1.12 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -134.48 79.01 55.41 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.534 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -62.3 164.8 16.52 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.496 2.131 . . . . 0.0 112.945 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.673 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 56.5 tp -68.04 -10.34 52.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.66 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 p -54.83 -52.47 62.63 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.701 ' H ' HD22 ' A' ' 63' ' ' LEU . 2.1 pt? -91.56 -14.76 29.75 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.565 0.541 . . . . 0.0 109.627 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.673 ' HB3' ' HA ' ' A' ' 61' ' ' LEU . 70.0 ttt180 -75.33 -35.13 61.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.153 0.501 . . . . 0.0 110.904 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.585 ' OE1' ' HG2' ' A' ' 67' ' ' MET . 6.0 tp-100 -78.06 102.48 7.47 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.118 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -100.92 -34.6 9.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.19 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.585 ' HG2' ' OE1' ' A' ' 65' ' ' GLN . 26.8 ptm -74.39 -16.31 60.89 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -173.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 13.0 t70 -139.74 123.11 17.09 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-O 121.249 0.547 . . . . 0.0 110.89 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -166.06 169.69 14.3 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.49 -36.59 78.7 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 123.595 0.559 . . . . 0.0 110.648 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.21 110.15 11.67 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.428 174.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.618 0 CA-C-O 119.291 -0.727 . . . . 0.0 111.805 -178.08 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.93 0.395 . . . . 0.0 111.355 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.9 m -105.28 127.27 52.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 121.957 -0.464 . . . . 0.0 111.29 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.439 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 8.9 t -112.48 -171.44 1.86 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 178.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.0 m -87.2 -30.24 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.105 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -174.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -139.9 11.82 2.44 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.439 ' HB3' ' HB3' ' A' ' 3' ' ' SER . 33.1 t70 -81.72 86.28 6.46 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.493 0.663 . . . . 0.0 111.282 -176.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.6 tpt85 -134.5 -58.4 0.83 Allowed 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.84 171.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -125.0 31.23 5.68 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -72.83 -34.21 66.68 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.605 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.686 HG13 ' HE1' ' A' ' 28' ' ' TYR . 5.8 tt -48.08 112.85 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.38 172.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -92.77 161.72 14.41 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.253 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -135.35 -179.95 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.712 0.768 . . . . 0.0 110.45 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 25.1 pt20 -150.81 160.51 43.82 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.162 -0.926 . . . . 0.0 108.526 176.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.598 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 61.2 t -90.17 125.19 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.081 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.9 m -125.24 157.76 33.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.464 HG13 ' HD3' ' A' ' 36' ' ' ARG . 3.9 p -136.93 136.56 47.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.442 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -98.58 -168.06 1.59 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.674 -173.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -65.79 -29.32 69.8 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.385 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -81.82 9.19 8.46 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.445 0.64 . . . . 0.0 111.031 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 59.75 27.04 16.26 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.372 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 21' ' ' GLN . 8.3 tt0 -84.74 132.12 34.48 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.908 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -86.29 123.08 31.15 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.5 m -142.4 177.0 8.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.082 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.1 pt -116.57 144.91 23.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.497 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 75.0 t-105 -138.14 132.87 17.09 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.716 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 9.0 Cg_endo -51.83 138.35 51.09 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.305 2.004 . . . . 0.0 112.982 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.42 -37.83 80.67 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.905 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.686 ' HE1' HG13 ' A' ' 10' ' ' ILE . 48.2 p90 -71.17 -19.14 62.45 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.398 -176.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.716 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 97.1 mttt -89.82 153.29 20.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.25 0.548 . . . . 0.0 110.18 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -78.01 135.94 37.86 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.581 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -66.1 126.69 92.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.51 ' HB2' ' CD1' ' A' ' 35' ' ' TRP . 65.0 Cg_exo -54.32 153.14 23.21 Favored 'Trans proline' 0 C--O 1.242 0.692 0 C-N-CA 122.603 2.202 . . . . 0.0 111.938 177.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -76.87 123.24 25.96 Favored 'General case' 0 N--CA 1.435 -1.198 0 O-C-N 121.752 -0.593 . . . . 0.0 109.827 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.59 -17.58 15.9 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -173.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.51 ' CD1' ' HB2' ' A' ' 32' ' ' PRO . 30.5 m95 -108.23 155.48 20.42 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' HD3' HG13 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -144.9 156.5 44.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 172.694 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.83 138.38 36.22 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 123.903 0.752 . . . . 0.0 111.068 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.598 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -133.59 143.79 48.89 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 122.818 0.447 . . . . 0.0 110.077 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.5 -97.82 2.05 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.015 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -167.84 175.09 7.06 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.171 0.51 . . . . 0.0 111.177 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.6 t -113.37 157.04 22.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.882 -176.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.17 -148.71 15.04 Favored Glycine 0 C--O 1.224 -0.498 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.73 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 43' ' ' LEU . 3.7 mm? -75.28 161.92 28.89 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 122.406 -0.467 . . . . 0.0 111.024 176.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.509 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 1.7 ttmp? -54.87 -48.59 72.75 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.451 0.469 . . . . 0.0 111.719 -174.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -59.23 -29.27 67.39 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 123.519 0.512 . . . . 0.0 111.704 -176.531 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 23.5 t70 -73.74 -36.97 65.22 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-O 121.553 0.692 . . . . 0.0 110.478 179.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.8 m -70.39 -50.38 39.28 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.326 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 63.4 mt -55.99 -45.83 78.9 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 122.015 0.912 . . . . 0.0 110.85 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.63 -42.0 67.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.227 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -55.49 -47.89 75.44 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 123.901 0.75 . . . . 0.0 112.138 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.556 ' HA ' HG23 ' A' ' 54' ' ' VAL . 3.4 mp -68.94 -34.99 67.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 120.561 0.219 . . . . 0.0 111.097 -175.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.7 -43.47 97.76 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.207 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 30.0 mm-40 -44.95 -62.62 1.16 Allowed 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 118.052 -0.975 . . . . 0.0 113.6 -174.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.556 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.0 p -93.22 -31.76 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 121.718 2.054 . . . . 0.0 111.126 -2.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.637 ' O ' HG21 ' A' ' 56' ' ' THR . 72.4 m95 -75.77 -51.44 12.62 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 121.678 -0.638 . . . . 0.0 111.766 -177.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.637 HG21 ' O ' ' A' ' 55' ' ' TRP . 0.7 OUTLIER 175.16 48.42 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.886 -168.527 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.53 ' CG ' ' H ' ' A' ' 58' ' ' MET . 6.9 t70 175.54 -156.17 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.636 -0.665 . . . . 0.0 110.423 -174.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.53 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 68.3 mtm -122.66 -72.15 0.7 Allowed 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 176.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 64.14 172.53 0.08 OUTLIER Pre-proline 0 N--CA 1.469 0.502 0 O-C-N 124.551 1.157 . . . . 0.0 111.324 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.427 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 29.9 Cg_exo -63.16 106.58 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 121.818 1.679 . . . . 0.0 111.599 172.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.0 mp -58.22 -22.02 50.25 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.0 p -58.5 -20.72 48.21 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.724 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 60' ' ' PRO . 4.5 pp -70.74 -21.11 62.57 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 121.95 -0.469 . . . . 0.0 110.298 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -76.55 -27.46 55.91 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.534 -0.466 . . . . 0.0 109.826 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -76.99 -18.98 57.86 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.242 174.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -77.25 -29.94 54.25 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 87.9 mmm -74.64 -29.51 61.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.464 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -72.13 112.4 8.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.419 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -123.14 -174.81 3.03 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -171.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 59.0 -81.7 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.823 0.849 . . . . 0.0 112.217 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.11 -9.5 58.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.233 0 CA-C-O 118.847 -0.974 . . . . 0.0 112.361 176.751 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 ttm . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 121.135 0.493 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.8 m -86.89 109.2 19.16 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.388 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -139.52 19.97 2.54 Favored 'General case' 0 C--N 1.312 -1.062 0 O-C-N 122.294 -0.253 . . . . 0.0 110.537 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.37 -42.26 90.26 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.979 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 79.3 t80 61.89 -70.1 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.967 0.907 . . . . 0.0 111.402 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -100.77 105.34 16.65 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.347 0.594 . . . . 0.0 110.578 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -118.71 2.37 11.67 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 176.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -94.97 106.94 18.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.847 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -108.18 111.81 23.99 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 tt -179.29 137.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 O-C-N 123.814 0.697 . . . . 0.0 109.869 -178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -105.51 140.49 38.53 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.169 0.509 . . . . 0.0 111.075 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -123.85 167.17 14.43 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.431 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -144.28 161.91 37.73 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 38' ' ' ALA . 23.3 t -98.91 127.34 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.207 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 m -115.89 148.44 18.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.419 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 p -141.56 148.09 21.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.327 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.555 ' C ' ' H ' ' A' ' 19' ' ' GLU . 55.8 t30 -104.58 162.88 12.89 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -69.68 24.06 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.555 ' H ' ' C ' ' A' ' 17' ' ' ASN . 7.8 tp10 -112.2 -2.22 14.99 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 173.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 31.7 tt0 65.33 29.99 11.29 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.963 -177.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -96.65 111.56 23.66 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -86.44 139.7 30.66 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 121.172 0.51 . . . . 0.0 110.667 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t -141.35 168.5 19.62 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.439 HG22 ' SG ' ' A' ' 47' ' ' CYS . 36.8 pt -108.51 143.55 18.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.412 ' CE2' ' HD3' ' A' ' 32' ' ' PRO . 35.2 t-105 -150.21 141.17 14.6 Favored Pre-proline 0 C--N 1.32 -0.678 0 O-C-N 123.568 0.542 . . . . 0.0 109.705 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.79 143.73 99.57 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.774 2.316 . . . . 0.0 111.077 177.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -70.74 -43.31 69.11 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.417 0.627 . . . . 0.0 110.934 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -75.01 -12.3 60.3 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 121.742 0.782 . . . . 0.0 110.894 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -92.92 136.65 33.06 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.306 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -72.5 139.47 47.64 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 121.335 -0.853 . . . . 0.0 110.367 -176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.92 141.03 97.41 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.988 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.442 ' HB2' ' CD1' ' A' ' 35' ' ' TRP . 31.3 Cg_exo -57.89 141.57 96.01 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 121.922 1.748 . . . . 0.0 110.742 175.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -61.53 102.56 0.25 Allowed 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.953 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.14 -18.22 4.48 Favored Glycine 0 C--N 1.318 -0.458 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.964 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.442 ' CD1' ' HB2' ' A' ' 32' ' ' PRO . 52.9 m95 -97.17 161.38 13.84 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -131.62 151.24 51.77 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.62 128.32 35.19 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.663 0.602 . . . . 0.0 110.875 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB2' ' HB ' ' A' ' 14' ' ' VAL . . . -76.42 -20.43 57.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.44 -178.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.26 -77.53 0.39 Allowed Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.961 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -59.78 112.62 1.9 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.568 0.699 . . . . 0.0 111.37 -175.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -124.28 132.0 53.55 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.629 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.97 -139.88 2.99 Favored Glycine 0 C--O 1.213 -1.169 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -177.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.652 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 4.2 mm? -79.51 177.18 9.06 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.388 177.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.561 ' HE2' HD21 ' A' ' 48' ' ' LEU . 23.5 tptm -57.86 -47.22 83.36 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.69 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.652 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.55 -30.77 69.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.805 -178.198 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.469 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 34.0 m-20 -69.52 -41.28 76.21 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.684 0.615 . . . . 0.0 110.027 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.594 ' O ' HG12 ' A' ' 51' ' ' ILE . 50.0 t -67.18 -45.58 76.53 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 123.882 0.739 . . . . 0.0 109.814 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.561 HD21 ' HE2' ' A' ' 44' ' ' LYS . 78.2 mt -56.91 -45.59 82.55 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.145 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -57.68 -47.21 82.97 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.948 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -58.32 -43.88 88.39 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.559 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.594 HG12 ' O ' ' A' ' 47' ' ' CYS . 14.8 mm -69.88 -34.74 61.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.644 0.735 . . . . 0.0 111.138 -174.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.79 -40.33 92.2 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.452 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.489 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 8.5 mm-40 -46.98 -61.29 1.94 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -175.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.57 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.5 p -93.69 -38.79 10.06 Favored 'Isoleucine or valine' 0 C--N 1.345 0.392 0 C-N-CA 125.793 1.637 . . . . 0.0 110.855 -2.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -147.89 18.7 1.13 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 122.051 0.929 . . . . 0.0 108.741 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.2 t -50.75 112.7 0.75 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.718 1.246 . . . . 0.0 112.998 -171.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -69.2 -36.43 77.28 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 114.291 -1.322 . . . . 0.0 112.097 -172.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.9 mtp -127.62 -50.56 1.38 Allowed 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 121.836 -0.54 . . . . 0.0 112.41 -176.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -65.25 152.51 91.63 Favored Pre-proline 0 C--O 1.216 -0.707 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.341 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.9 -161.41 0.15 Allowed 'Trans proline' 0 CA--C 1.51 -0.716 0 C-N-CA 122.049 1.833 . . . . 0.0 110.135 168.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.98 0.19 7.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.232 1.015 . . . . 0.0 111.46 176.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -65.66 -8.07 18.57 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.221 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -68.24 -10.4 54.31 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 121.729 0.776 . . . . 0.0 109.87 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.673 ' HE ' ' HA ' ' A' ' 64' ' ' ARG . 1.2 tpm_? -67.78 -24.82 65.37 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.517 175.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 65.81 101.09 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.301 1.0 . . . . 0.0 111.77 177.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -91.82 -69.76 0.72 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.377 0.608 . . . . 0.0 110.787 -176.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.57 2.55 50.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.368 0.604 . . . . 0.0 110.823 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -82.28 -176.88 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.626 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -120.15 108.64 14.48 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.34 138.28 9.84 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.482 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.44 31.71 20.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.701 0.626 . . . . 0.0 111.779 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.463 0 CA-C-O 118.0 -1.444 . . . . 0.0 112.288 -179.722 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.471 0.6 0 CA-C-O 120.688 0.28 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.7 m -112.97 118.45 34.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.408 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 p -115.58 23.42 12.36 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.486 0.66 . . . . 0.0 109.406 174.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.9 -29.1 5.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.51 -173.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -72.57 -35.41 67.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.454 0.645 . . . . 0.0 109.332 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.85 120.84 9.76 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.233 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.423 ' C ' ' H ' ' A' ' 9' ' ' ASP . 30.6 ptt180 -74.75 -8.82 57.57 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.675 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 t70 75.07 -31.93 0.22 Allowed 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.165 175.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER 64.49 36.76 8.52 Favored 'General case' 0 CA--C 1.503 -0.844 0 O-C-N 124.541 1.151 . . . . 0.0 110.361 -174.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 tp -85.4 102.19 10.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.694 174.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -93.76 152.52 18.88 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -125.66 177.01 6.49 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.774 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 20.5 pt20 -139.65 142.79 36.98 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 174.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.495 HG13 ' CE2' ' A' ' 50' ' ' TYR . 58.1 t -86.55 123.74 39.92 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.83 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 -179.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 m -116.34 154.08 17.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-O 121.515 0.674 . . . . 0.0 109.313 -178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.531 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 12.5 p -122.59 137.22 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-O 121.306 0.574 . . . . 0.0 110.584 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -77.97 156.54 30.14 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -64.53 -8.38 13.69 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.447 0.641 . . . . 0.0 111.161 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -106.66 17.28 23.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.872 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 67.78 57.29 0.53 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.074 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.531 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 7.3 tp-100 -120.46 127.22 52.02 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -102.62 137.4 40.89 Favored 'General case' 0 C--N 1.311 -1.09 0 O-C-N 122.115 -0.366 . . . . 0.0 110.213 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.3 t -154.24 -177.14 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.562 HD12 ' SG ' ' A' ' 47' ' ' CYS . 28.7 pt -126.31 143.19 40.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-O 121.276 0.56 . . . . 0.0 111.058 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.43 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 52.9 t-105 -134.23 138.51 30.54 Favored Pre-proline 0 N--CA 1.441 -0.897 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -44.46 124.63 5.41 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.876 2.384 . . . . 0.0 111.375 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.31 -39.78 88.2 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 124.113 0.883 . . . . 0.0 111.113 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.64 0.68 45.86 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 123.487 0.492 . . . . 0.0 111.227 -178.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -102.22 147.03 27.14 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.62 134.87 42.02 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 59.6 mt -70.91 132.26 86.87 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.25 177.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 20.5 Cg_exo -67.71 155.46 69.93 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.537 2.158 . . . . 0.0 111.583 175.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -65.79 141.83 58.17 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.284 0.564 . . . . 0.0 110.467 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.63 -26.73 12.35 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -112.19 160.47 17.56 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -141.98 157.7 44.63 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.963 0.411 . . . . 0.0 110.139 175.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.58 136.47 38.27 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.569 -175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.01 -139.65 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.201 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.71 36.09 2.35 Favored Glycine 0 C--N 1.311 -0.825 0 C-N-CA 120.292 -0.956 . . . . 0.0 113.413 -176.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.53 ' HE3' ' HB3' ' A' ' 46' ' ' ASP . 0.8 OUTLIER -156.97 113.18 2.97 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 121.133 0.492 . . . . 0.0 109.786 178.76 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 t -111.45 147.32 35.52 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.682 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.22 174.42 36.34 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.233 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.512 HD22 ' OD2' ' A' ' 46' ' ' ASP . 2.6 pt? -78.86 -178.96 6.3 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.515 -177.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.706 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 17.7 ptpt -52.65 -36.12 56.18 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -174.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -56.05 -49.12 74.63 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.249 0.547 . . . . 0.0 110.317 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.53 ' HB3' ' HE3' ' A' ' 40' ' ' LYS . 55.2 m-20 -61.26 -33.17 73.09 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.182 177.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.562 ' SG ' HD12 ' A' ' 24' ' ' ILE . 1.1 t -71.05 -53.64 14.0 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 122.962 0.505 . . . . 0.0 109.982 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 33.1 mt -51.32 -51.38 54.88 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 124.295 0.997 . . . . 0.0 110.617 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.2 -51.49 67.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.69 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.514 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 61.7 t80 -53.81 -53.08 57.43 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.284 0.99 . . . . 0.0 112.67 -176.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.6 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -60.26 -35.9 65.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.55 -41.64 92.78 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.525 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 5.4 mm-40 -47.04 -59.48 3.1 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -175.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.6 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.1 p -94.14 -46.12 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 120.81 1.641 . . . . 0.0 110.428 -3.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 36.6 t90 -150.7 17.31 0.8 Allowed 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 p -116.69 -35.71 4.12 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.084 -1.416 . . . . 0.0 112.808 -168.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -118.17 145.64 44.79 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.937 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.436 ' O ' ' HD3' ' A' ' 60' ' ' PRO . 39.4 tpp -84.87 -6.35 59.34 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 170.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -83.27 104.11 3.42 Favored Pre-proline 0 C--N 1.317 -0.844 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 172.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 58' ' ' MET . 14.5 Cg_exo -71.02 129.65 16.59 Favored 'Trans proline' 0 CA--C 1.513 -0.526 0 C-N-CA 121.381 1.387 . . . . 0.0 111.538 -173.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -88.2 -16.67 32.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.925 0.869 . . . . 0.0 108.85 174.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.4 p -79.35 -0.61 33.31 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.729 -1.123 . . . . 0.0 112.633 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 pp -88.66 -10.35 48.86 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 122.119 -0.363 . . . . 0.0 110.578 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -64.1 -48.68 75.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -131.74 104.68 7.04 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 170.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -51.87 -68.39 0.17 Allowed 'General case' 0 N--CA 1.457 -0.113 0 CA-C-O 121.729 0.776 . . . . 0.0 110.691 -176.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 26.8 ttt -106.73 -54.79 2.42 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 168.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -146.84 155.01 42.01 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.098 -1.41 . . . . 0.0 108.999 175.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -109.31 90.45 3.3 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 175.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 65.67 -73.78 0.06 Allowed 'General case' 0 C--O 1.243 0.743 0 O-C-N 124.191 0.932 . . . . 0.0 110.827 -170.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -137.33 -55.31 0.7 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.805 0.812 . . . . 0.0 110.026 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.534 -1.148 . . . . 0.0 110.319 178.882 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 121.33 0.586 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.765 HG23 ' HB3' ' A' ' 9' ' ' ASP . 20.5 p -87.3 167.42 14.08 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.26 176.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p 58.08 83.08 0.12 Allowed 'General case' 0 N--CA 1.471 0.624 0 O-C-N 125.071 1.482 . . . . 0.0 112.942 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.3 t -97.17 -24.75 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-O 122.323 1.058 . . . . 0.0 108.584 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -159.02 -35.83 0.06 Allowed 'General case' 0 C--O 1.241 0.636 0 CA-C-N 114.086 -1.415 . . . . 0.0 107.497 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -84.85 -163.8 0.88 Allowed 'General case' 0 N--CA 1.437 -1.085 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.671 171.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -160.59 93.89 1.03 Allowed 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 170.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -94.03 -64.39 1.09 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.777 -174.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.765 ' HB3' HG23 ' A' ' 2' ' ' THR . 37.1 t70 -113.74 135.95 53.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.048 -173.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.3 pt -92.23 178.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.139 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.498 ' HG2' HD13 ' A' ' 43' ' ' LEU . 44.3 mt-30 -104.31 144.21 31.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.762 0.791 . . . . 0.0 111.71 -175.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -128.8 177.46 7.06 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.186 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 9.2 pt20 -139.43 164.16 30.59 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 175.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.478 HG21 ' HG ' ' A' ' 47' ' ' CYS . 61.9 t -105.26 126.47 60.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 27.4 m -115.7 143.82 24.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 p -123.1 140.28 47.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.193 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -93.75 168.15 11.19 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -69.38 -0.34 6.22 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 121.859 -0.525 . . . . 0.0 110.494 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.31 7.04 42.85 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.187 0.518 . . . . 0.0 110.352 173.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 59.72 35.26 22.21 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 123.303 0.641 . . . . 0.0 111.355 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -116.89 143.64 45.46 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.781 173.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -103.61 154.3 19.66 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.223 -173.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.1 t -154.37 174.15 15.24 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.7 pt -108.98 147.86 13.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.427 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 66.6 t-105 -144.87 131.56 9.98 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.489 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.94 132.81 46.88 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.398 2.065 . . . . 0.0 111.546 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.427 ' HA ' HE21 ' A' ' 13' ' ' GLN . 0.0 OUTLIER -70.48 -10.5 59.34 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.144 0.497 . . . . 0.0 111.588 -173.785 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -77.6 -27.3 51.24 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.813 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.8 148.48 23.35 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.648 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.49 149.25 46.0 Favored 'General case' 0 N--CA 1.436 -1.155 0 O-C-N 121.422 -0.799 . . . . 0.0 108.969 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.9 mt -66.28 132.98 94.46 Favored Pre-proline 0 C--N 1.33 -0.263 0 O-C-N 123.59 0.556 . . . . 0.0 109.64 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.489 ' HG2' ' HD1' ' A' ' 35' ' ' TRP . 60.2 Cg_endo -72.41 31.28 0.28 Allowed 'Trans proline' 0 N--CA 1.478 0.568 0 C-N-CA 122.884 2.389 . . . . 0.0 114.479 -173.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.443 ' HB3' ' O ' ' A' ' 32' ' ' PRO . 56.0 tt0 76.42 -53.12 0.6 Allowed 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 170.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.38 -33.42 87.2 Favored Glycine 0 C--O 1.221 -0.701 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.395 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.495 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 63.8 m95 -96.2 163.98 12.86 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.543 ' HA ' ' HE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -129.95 147.52 51.72 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.646 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.25 130.43 42.01 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.274 0.559 . . . . 0.0 109.875 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.52 156.68 45.16 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.697 0.76 . . . . 0.0 110.769 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.49 -102.27 1.37 Allowed Glycine 0 N--CA 1.434 -1.452 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.7 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.465 ' HZ2' ' CG ' ' A' ' 46' ' ' ASP . 55.7 tttm -158.96 153.1 23.67 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 121.168 0.508 . . . . 0.0 111.148 -173.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 m -105.33 152.0 23.46 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.48 174.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.32 -157.96 30.64 Favored Glycine 0 C--O 1.217 -0.921 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.614 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.498 HD13 ' HG2' ' A' ' 11' ' ' GLN . 3.6 mm? -77.66 172.45 13.38 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 120.268 0.08 . . . . 0.0 110.966 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.51 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 4.5 tppp? -51.54 -54.57 26.06 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.552 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -60.95 -32.53 72.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.906 -0.134 . . . . 0.0 110.89 -175.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.552 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 16.7 t70 -69.15 -41.24 77.56 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 122.011 0.91 . . . . 0.0 110.572 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.582 ' O ' HG12 ' A' ' 51' ' ' ILE . 42.0 t -68.05 -49.59 60.45 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.891 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 43.2 mt -56.87 -40.7 76.64 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.987 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.33 -44.95 88.92 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.981 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.484 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 88.2 t80 -65.02 -39.51 93.51 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 121.798 -0.564 . . . . 0.0 111.339 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 47' ' ' CYS . 18.6 mm -67.59 -34.89 70.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -175.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.21 -39.09 78.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.532 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.547 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 10.4 mm-40 -49.03 -62.38 1.56 Allowed 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -175.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.547 ' C ' ' HB2' ' A' ' 53' ' ' GLU . 2.5 p -90.81 -30.77 4.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 121.948 2.158 . . . . 0.0 108.689 -3.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 19.8 t-105 -135.46 32.51 3.07 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 170.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.8 p 67.99 84.08 0.16 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.524 -176.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -125.27 -171.71 2.43 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.523 -170.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.57 28.26 3.06 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-O 121.721 0.772 . . . . 0.0 111.283 176.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -90.67 133.05 33.32 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -68.69 146.69 67.66 Favored 'Trans proline' 0 C--O 1.244 0.806 0 C-N-CA 123.236 2.624 . . . . 0.0 113.006 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.5 mt -90.63 17.23 7.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.326 0.584 . . . . 0.0 111.92 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 t -86.89 -0.49 56.6 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 121.044 0.449 . . . . 0.0 110.382 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 pp -82.68 -6.21 59.26 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.37 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' A' ' 65' ' ' GLN . 13.7 ptm180 -78.64 -17.85 55.38 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 121.912 -0.492 . . . . 0.0 111.351 -178.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 50.3 mt-30 70.05 130.16 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 O-C-N 124.55 1.156 . . . . 0.0 110.88 -173.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.417 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 64.2 m80 -71.04 -6.29 37.88 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.86 0.362 . . . . 0.0 111.535 -176.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -75.06 -11.25 60.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.261 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -31.77 63.78 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.394 0.616 . . . . 0.0 110.316 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 66' ' ' HIS . 21.8 ptmt -88.23 1.78 53.74 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.095 0.474 . . . . 0.0 110.371 178.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.56 16.1 27.3 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -130.12 145.89 51.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.673 0.749 . . . . 0.0 110.04 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.153 0 CA-C-O 118.531 -1.149 . . . . 0.0 111.761 -177.802 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.946 0.403 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 p -94.19 163.53 13.41 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.032 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 m -78.95 47.87 0.8 Allowed 'General case' 0 C--O 1.241 0.607 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.2 m -68.38 -29.54 44.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-O 121.587 0.708 . . . . 0.0 109.762 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -149.44 131.57 15.39 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.431 173.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -73.92 -177.78 2.99 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.057 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.45 ' HA ' ' HD2' ' A' ' 7' ' ' ARG . 14.7 tpt85 -73.6 -35.87 65.45 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.18 177.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -154.38 163.83 39.57 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.018 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.453 ' HB3' HD12 ' A' ' 43' ' ' LEU . 31.3 t0 -113.33 -169.48 1.5 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.439 ' H ' ' CG ' ' A' ' 9' ' ' ASP . 7.5 tp -70.45 137.4 24.01 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.914 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 77.0 mt-30 -105.45 139.29 40.29 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 120.504 0.192 . . . . 0.0 110.796 -173.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.559 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 85.5 m-85 -133.26 -179.4 5.48 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.86 0.838 . . . . 0.0 110.453 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 20.7 pt20 -140.98 146.96 37.99 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.038 -1.437 . . . . 0.0 107.242 170.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.548 HG11 ' CE1' ' A' ' 50' ' ' TYR . 39.9 t -89.14 122.62 40.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.8 m -114.94 149.0 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-O 120.721 0.296 . . . . 0.0 111.161 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.82 138.48 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.663 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 48.0 t30 -97.28 175.47 6.26 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -71.29 -2.52 16.51 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.542 0.526 . . . . 0.0 112.153 -171.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.616 ' HB3' HE22 ' A' ' 21' ' ' GLN . 40.4 tt0 -103.6 14.4 31.25 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 122.036 0.922 . . . . 0.0 108.998 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 13.7 pt-20 57.86 32.01 21.33 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.421 1.488 . . . . 0.0 112.338 174.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.663 ' OE1' ' HB3' ' A' ' 17' ' ' ASN . 1.5 pm0 -95.38 142.51 27.68 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 173.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.93 146.8 33.21 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.103 0.478 . . . . 0.0 111.127 -175.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 m -151.67 177.56 10.24 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.736 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.7 pt -116.97 140.62 38.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.214 0.531 . . . . 0.0 110.139 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.407 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 70.7 t-105 -135.36 134.19 21.06 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.68 114.49 1.98 Allowed 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 122.397 2.065 . . . . 0.0 112.276 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -52.69 -27.57 18.01 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.311 1.007 . . . . 0.0 112.419 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -55.66 -42.71 75.47 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.673 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -98.97 162.68 12.95 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.151 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -87.55 137.45 32.32 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 36' ' ' ARG . 21.5 pt -61.47 155.35 59.29 Favored Pre-proline 0 C--N 1.314 -0.942 0 O-C-N 124.673 1.233 . . . . 0.0 113.047 -175.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -65.85 150.79 85.56 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.42 2.08 . . . . 0.0 112.103 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -42.65 -46.78 5.13 Favored 'General case' 0 C--N 1.334 -0.075 0 C-N-CA 124.25 1.02 . . . . 0.0 113.156 -176.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.36 -5.11 87.46 Favored Glycine 0 C--O 1.23 -0.141 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.614 -173.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -106.44 157.19 17.82 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.077 -0.661 . . . . 0.0 111.095 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HA ' HD13 ' A' ' 31' ' ' ILE . 34.1 ttm180 -145.39 156.67 43.91 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.67 126.75 31.01 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.146 0.498 . . . . 0.0 110.873 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.88 72.47 Favored 'General case' 0 CA--C 1.518 -0.282 0 O-C-N 121.825 -0.547 . . . . 0.0 110.318 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.7 -69.33 0.36 Allowed Glycine 0 CA--C 1.506 -0.48 0 C-N-CA 120.13 -1.033 . . . . 0.0 111.944 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.674 ' HD2' ' CD2' ' A' ' 50' ' ' TYR . 97.5 mttt -70.43 121.75 18.34 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.661 0.743 . . . . 0.0 110.583 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.6 t -113.31 143.29 44.69 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.448 175.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.44 177.15 43.37 Favored Glycine 0 C--O 1.215 -1.032 0 C-N-CA 120.276 -0.964 . . . . 0.0 111.394 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.914 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 2.5 pt? -66.42 177.14 1.59 Allowed 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.041 0.448 . . . . 0.0 111.163 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.561 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 21.9 ttmt -47.82 -54.47 12.33 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.275 0.63 . . . . 0.0 112.009 -176.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' HB3' ' HE3' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -54.54 -40.7 68.92 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 122.454 0.302 . . . . 0.0 111.172 -179.322 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' HB2' HD23 ' A' ' 43' ' ' LEU . 14.5 t70 -65.64 -38.82 90.46 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.192 0.52 . . . . 0.0 110.198 -178.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 74.0 m -71.22 -40.42 71.11 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.169 178.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 62.5 mt -60.39 -42.55 96.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.194 0.521 . . . . 0.0 110.381 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.67 -42.26 92.48 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.991 174.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.674 ' CD2' ' HD2' ' A' ' 40' ' ' LYS . 51.5 t80 -55.84 -48.5 75.37 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 123.566 0.746 . . . . 0.0 111.686 177.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.732 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 18.3 mm -63.63 -31.29 52.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.657 0.741 . . . . 0.0 110.477 -176.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -61.6 -40.15 93.78 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.802 177.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.507 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 45.0 mm-40 -47.35 -62.18 1.55 Allowed 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -175.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.732 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.8 p -99.65 -40.56 8.7 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 O-C-N 119.637 -1.915 . . . . 0.0 110.329 -4.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.479 ' HE3' ' HH ' ' A' ' 50' ' ' TYR . 74.2 t-105 -120.74 14.98 11.8 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 122.313 1.054 . . . . 0.0 108.182 -178.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.7 t -143.66 159.49 42.38 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -109.8 111.26 22.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.078 0.466 . . . . 0.0 110.814 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.2 mmt -113.94 130.32 56.53 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.214 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.575 ' HB3' ' HD3' ' A' ' 60' ' ' PRO . 4.6 tpp180 -65.04 -49.61 66.35 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.88 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.575 ' HD3' ' HB3' ' A' ' 59' ' ' ARG . 2.5 Cg_endo -86.58 43.84 1.11 Allowed 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 121.771 1.647 . . . . 0.0 111.84 178.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.69 -58.97 5.99 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.029 -1.441 . . . . 0.0 111.376 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.5 m -70.06 -22.64 63.05 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.989 0.423 . . . . 0.0 110.666 -178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.84 -49.51 72.53 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.407 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.502 ' C ' ' HG3' ' A' ' 65' ' ' GLN . 55.2 mtp180 -85.27 -15.45 43.4 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.402 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.502 ' HG3' ' C ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER 42.07 94.07 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 122.471 1.129 . . . . 0.0 113.461 -179.073 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -60.48 -66.73 0.48 Allowed 'General case' 0 C--N 1.342 0.253 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.512 -174.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 60.8 tpp -104.88 -60.18 1.64 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.4 t70 71.43 142.08 0.05 Allowed 'General case' 0 CA--C 1.536 0.44 0 O-C-N 124.477 1.111 . . . . 0.0 112.251 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt 64.73 28.49 13.0 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.9 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 69.47 -79.17 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.307 0.643 . . . . 0.0 111.185 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 56.55 20.13 4.68 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.126 177.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.458 0 CA-C-O 118.091 -1.394 . . . . 0.0 111.59 179.857 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.3 p -96.24 107.49 19.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.758 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -129.19 -56.14 1.17 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.897 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.2 t -67.1 -49.09 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 121.401 0.62 . . . . 0.0 110.956 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -109.06 143.16 38.76 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -107.82 131.42 54.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.087 0.47 . . . . 0.0 109.955 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.407 ' HB3' ' H ' ' A' ' 8' ' ' ASP . 1.5 tpt85 -90.8 -77.81 0.4 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.329 178.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.407 ' H ' ' HB3' ' A' ' 7' ' ' ARG . 25.8 m-20 -143.64 -169.24 3.03 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 124.269 0.981 . . . . 0.0 108.404 174.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -88.3 176.72 7.1 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 tp -68.15 117.5 10.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.997 0.903 . . . . 0.0 110.179 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.45 ' HG2' HD11 ' A' ' 43' ' ' LEU . 49.4 mt-30 -93.42 124.7 37.59 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 121.607 -0.683 . . . . 0.0 111.76 -173.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -119.28 160.19 22.69 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 122.2 1.0 . . . . 0.0 112.449 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 27.3 pt20 -136.49 146.86 46.75 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.704 HG22 ' HG ' ' A' ' 47' ' ' CYS . 41.5 t -84.53 125.87 40.27 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.7 m -115.17 138.93 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.6 p -119.36 138.11 51.1 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -83.09 170.46 14.78 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.028 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -74.6 2.12 10.53 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 121.279 -0.888 . . . . 0.0 109.445 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -100.41 5.29 44.27 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.124 -0.943 . . . . 0.0 108.474 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 59.17 39.2 23.2 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.551 -173.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -95.58 131.14 42.11 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -95.56 135.79 36.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.855 0.836 . . . . 0.0 111.24 -175.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 t -139.84 166.71 23.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.909 174.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.574 HG21 ' SG ' ' A' ' 47' ' ' CYS . 30.9 pt -115.33 128.57 72.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.435 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 57.0 t-105 -134.54 136.12 25.0 Favored Pre-proline 0 C--N 1.31 -1.11 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.998 -175.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.634 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 50.4 Cg_exo -55.06 139.2 79.97 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 121.639 1.56 . . . . 0.0 112.634 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -68.23 -33.98 75.39 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.624 -173.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.72 -6.11 58.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.373 -178.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.634 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 67.0 mttm -97.95 145.58 26.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 176.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -72.5 134.1 45.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.228 0.955 . . . . 0.0 109.458 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.3 mt -65.4 132.08 95.07 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.006 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.85 151.48 56.36 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.342 2.028 . . . . 0.0 112.044 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -70.12 117.82 12.17 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.736 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.81 -20.5 7.24 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -105.23 156.52 18.04 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.334 -0.433 . . . . 0.0 110.166 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -132.31 152.92 51.17 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.25 125.78 28.18 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.96 80.56 1.47 Allowed 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.36 -103.54 2.96 Favored Glycine 0 N--CA 1.439 -1.156 0 C-N-CA 120.541 -0.838 . . . . 0.0 114.496 166.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.489 ' HG3' ' HD1' ' A' ' 50' ' ' TYR . 29.2 mtpp -77.24 122.66 25.37 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.284 0.564 . . . . 0.0 112.171 -170.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 p -130.71 128.07 40.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.492 175.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 170.32 -117.63 0.71 Allowed Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.258 -0.972 . . . . 0.0 112.141 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.45 HD11 ' HG2' ' A' ' 11' ' ' GLN . 2.1 mm? -81.06 168.66 18.4 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -57.2 -39.91 76.34 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.516 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.528 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -63.19 -30.78 71.86 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.661 -179.146 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.528 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 41.9 m-20 -66.38 -41.73 88.99 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 121.86 0.838 . . . . 0.0 110.785 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.704 ' HG ' HG22 ' A' ' 14' ' ' VAL . 42.5 t -70.41 -46.62 63.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.862 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.4 mp -56.48 -52.32 65.15 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.411 0.624 . . . . 0.0 111.981 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.552 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -52.32 -41.05 62.65 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.836 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 36.2 t80 -61.63 -37.41 83.86 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.682 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.728 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -71.53 -34.29 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 O-C-N 121.925 -0.484 . . . . 0.0 109.997 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.73 -42.84 99.49 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.222 0.534 . . . . 0.0 111.915 175.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 65.8 mm-40 -45.87 -61.06 1.89 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -174.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.728 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.8 p -102.98 -32.5 3.07 Favored 'Isoleucine or valine' 0 C--O 1.23 0.061 0 CA-C-N 121.715 2.052 . . . . 0.0 111.249 -4.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -39.06 -47.71 1.56 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 -171.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 p -161.35 162.74 30.92 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.472 0.177 . . . . 0.0 111.028 -169.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -72.34 158.99 34.77 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 123.738 0.649 . . . . 0.0 109.539 173.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.476 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 97.7 mmm 70.7 167.97 0.31 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.642 0.589 . . . . 0.0 110.51 -177.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 58' ' ' MET . 1.5 ptm180 39.76 68.78 1.98 Allowed Pre-proline 0 N--CA 1.471 0.617 0 C-N-CA 124.061 0.944 . . . . 0.0 112.816 -174.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -74.57 153.78 44.26 Favored 'Trans proline' 0 C--O 1.219 -0.445 0 C-N-CA 122.311 2.008 . . . . 0.0 111.689 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 pp -85.35 9.69 14.77 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.33 0.586 . . . . 0.0 109.626 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 m -63.26 -15.19 56.39 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.746 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 pp -77.33 -4.78 46.83 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.61 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -72.4 -23.86 61.16 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.63 0.728 . . . . 0.0 109.944 175.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 65.22 86.62 0.13 Allowed 'General case' 0 C--N 1.347 0.473 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.288 175.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.44 ' C ' ' H ' ' A' ' 68' ' ' ASP . 42.2 m80 -85.02 -32.81 22.72 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 57.3 ttm -78.72 38.54 0.32 Allowed 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.646 0.736 . . . . 0.0 109.762 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' A' ' 66' ' ' HIS . 35.6 t70 -58.21 157.91 7.74 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.657 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 73.12 102.03 0.07 Allowed 'General case' 0 N--CA 1.47 0.539 0 O-C-N 124.219 0.949 . . . . 0.0 108.845 -170.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.21 71.19 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -165.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.1 5.38 25.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.285 0.564 . . . . 0.0 110.553 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.143 0 CA-C-O 118.656 -1.08 . . . . 0.0 110.965 -174.214 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.0 m -60.58 112.67 2.08 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.25 0.547 . . . . 0.0 110.999 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -90.71 -168.4 2.08 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.26 -25.81 21.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 121.697 -0.627 . . . . 0.0 111.373 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.5 t80 75.28 -7.31 1.8 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.296 174.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -86.02 104.75 15.92 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.15 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.475 ' HD3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -103.54 72.04 1.11 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.984 -176.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -71.85 149.2 45.42 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.372 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.9 t70 59.06 -93.37 0.04 OUTLIER 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.474 0.71 . . . . 0.0 109.912 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.2 tt -177.69 135.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -101.01 126.21 47.67 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.529 0.681 . . . . 0.0 111.508 -175.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -120.77 179.05 4.47 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.181 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 10.3 pt20 -143.44 157.08 44.74 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 170.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.0 t -95.81 127.98 47.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.0 m -115.9 153.52 17.48 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 O-C-N 123.458 0.474 . . . . 0.0 109.956 176.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 p -122.86 138.16 53.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 CA-C-O 120.932 0.396 . . . . 0.0 111.168 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -92.41 172.43 8.4 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.125 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -60.44 -10.28 4.71 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.671 0.788 . . . . 0.0 112.359 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -111.13 17.9 19.9 Favored 'General case' 0 N--CA 1.442 -0.828 0 O-C-N 123.489 0.493 . . . . 0.0 111.311 -174.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 61.99 37.45 14.94 Favored 'General case' 0 C--N 1.344 0.334 0 O-C-N 124.266 0.979 . . . . 0.0 110.072 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -112.86 129.63 56.39 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.75 176.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -96.31 156.32 16.39 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.022 0.826 . . . . 0.0 111.357 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -156.94 178.59 10.18 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 124.463 1.102 . . . . 0.0 109.013 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.503 ' CG2' ' HB3' ' A' ' 47' ' ' CYS . 29.7 pt -119.77 143.31 31.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.513 0.673 . . . . 0.0 110.475 -175.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -144.05 134.71 12.22 Favored Pre-proline 0 C--N 1.309 -1.172 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.276 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.533 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 51.8 Cg_exo -54.59 132.61 52.34 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.26 1.974 . . . . 0.0 112.334 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.7 -30.08 71.09 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.483 -173.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -85.64 15.51 4.61 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -175.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.533 ' HE2' ' HG2' ' A' ' 26' ' ' PRO . 50.5 mtmt -130.04 154.88 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.083 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.39 131.54 45.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.154 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.11 139.32 97.65 Favored Pre-proline 0 C--O 1.236 0.386 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.091 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -53.34 135.92 61.61 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.248 1.965 . . . . 0.0 112.056 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -47.28 -35.55 7.98 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.055 0.847 . . . . 0.0 112.659 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.53 -3.09 90.71 Favored Glycine 0 C--O 1.221 -0.71 0 C-N-CA 120.864 -0.684 . . . . 0.0 114.414 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 47.9 m95 -126.09 168.88 13.39 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -148.01 163.93 35.35 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.274 -0.267 . . . . 0.0 110.31 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.85 125.0 25.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 123.594 0.558 . . . . 0.0 110.761 -175.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.12 -20.82 55.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.658 0.599 . . . . 0.0 111.289 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.75 -33.14 5.06 Favored Glycine 0 C--N 1.346 1.134 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.232 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 tpmt? -87.35 123.28 32.15 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.002 0.43 . . . . 0.0 111.404 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' A' ' 13' ' ' GLN . 53.1 m -124.32 153.53 41.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.267 174.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.87 -175.25 41.51 Favored Glycine 0 CA--C 1.506 -0.52 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.3 mt -66.99 176.15 2.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 117.32 0.56 . . . . 0.0 110.319 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -55.86 -42.23 75.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.25 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.567 ' HD3' ' N ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -60.58 -45.39 94.13 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.777 -177.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.14 -38.06 84.88 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.387 0.613 . . . . 0.0 110.138 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.503 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 16.7 m -75.54 -48.11 23.93 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.957 -176.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.77 -46.92 87.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.394 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -58.03 -37.65 74.74 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.246 176.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 47.3 t80 -57.05 -45.17 83.4 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 123.731 0.644 . . . . 0.0 111.361 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.667 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.8 mp -69.95 -33.53 55.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -177.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.57 -42.23 99.42 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.093 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 18.2 mm-40 -45.05 -62.26 1.31 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -175.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.667 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.1 p -98.49 -41.68 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 121.455 1.934 . . . . 0.0 110.504 -2.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -141.86 22.08 2.12 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.4 p -119.21 -10.08 9.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.799 -175.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.8 t70 68.98 -60.16 0.46 Allowed 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.098 0.959 . . . . 0.0 112.816 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.9 ptp -80.72 87.6 5.82 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-O 121.771 0.796 . . . . 0.0 112.69 -175.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -157.32 100.47 1.91 Allowed Pre-proline 0 C--O 1.234 0.259 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.223 174.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.443 ' HD2' HD23 ' A' ' 63' ' ' LEU . 13.1 Cg_exo -70.05 151.41 67.38 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.834 2.356 . . . . 0.0 112.253 179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.493 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 68.8 mt -82.06 -7.23 59.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.067 -178.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.8 p -62.18 -56.54 17.68 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.693 HD21 ' H ' ' A' ' 63' ' ' LEU . 1.5 pt? -70.93 -33.65 70.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.132 0.491 . . . . 0.0 110.52 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.493 ' HB3' ' HA ' ' A' ' 61' ' ' LEU . 1.9 tmt_? -58.62 -49.72 76.46 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.964 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -79.8 -20.55 45.92 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 121.464 0.65 . . . . 0.0 111.182 -177.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -71.05 -16.46 62.6 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.241 178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 25.9 mmt -68.17 -23.55 64.87 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.758 0.661 . . . . 0.0 111.046 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -85.03 138.03 32.7 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.283 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -64.78 115.52 5.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.474 0.654 . . . . 0.0 111.991 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -121.28 94.57 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.729 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -150.36 104.06 3.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.804 -178.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.262 0 CA-C-O 118.919 -0.934 . . . . 0.0 112.201 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.1 tpp . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.9 m -141.85 118.0 10.69 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.543 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 m -119.87 133.16 55.67 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.063 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -85.05 -34.87 9.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.454 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 66.56 -70.03 0.11 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.212 1.005 . . . . 0.0 112.152 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -78.44 -172.85 3.06 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.209 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -117.05 105.71 12.59 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.603 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -97.78 -147.51 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 p30 46.45 32.64 1.65 Allowed 'General case' 0 C--N 1.349 0.558 0 C-N-CA 123.93 0.892 . . . . 0.0 112.593 174.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.512 HG13 ' HE1' ' A' ' 28' ' ' TYR . 13.2 tt -70.43 -26.81 29.6 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.124 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.714 -175.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.511 ' HB2' ' HB3' ' A' ' 27' ' ' GLU . 56.3 mt-30 48.26 141.0 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 114.461 -1.245 . . . . 0.0 114.034 -172.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.536 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . 28.3 m-85 -120.77 151.8 39.12 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.975 0.893 . . . . 0.0 111.384 178.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 25.2 pt20 -136.59 151.54 49.47 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.631 -1.168 . . . . 0.0 109.205 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.415 HG21 ' SG ' ' A' ' 47' ' ' CYS . 22.6 t -92.87 124.73 45.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 118.347 0.521 . . . . 0.0 109.627 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.05 146.91 19.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 17' ' ' ASN . 8.8 p -132.23 144.64 36.44 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 CA-C-O 121.27 0.557 . . . . 0.0 110.511 -176.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.44 ' C ' ' H ' ' A' ' 19' ' ' GLU . 61.5 t30 -92.76 159.56 15.35 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 172.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -72.51 14.74 0.23 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.715 0.769 . . . . 0.0 111.477 -175.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 17' ' ' ASN . 7.8 pt-20 -106.42 8.66 31.69 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 67.17 38.93 3.24 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.415 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -99.99 117.37 34.14 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.215 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -90.77 135.85 33.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.299 0.571 . . . . 0.0 110.726 -176.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 t -143.37 172.89 12.15 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.413 HG22 ' SG ' ' A' ' 47' ' ' CYS . 29.8 pt -115.08 145.23 21.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.511 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 43.6 t-105 -141.42 141.61 23.66 Favored Pre-proline 0 C--N 1.313 -0.997 0 C-N-CA 122.94 0.496 . . . . 0.0 110.432 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.685 ' HB2' ' HG2' ' A' ' 29' ' ' LYS . 26.0 Cg_exo -62.19 139.33 77.43 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.382 2.721 . . . . 0.0 111.916 175.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.511 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 7.6 tp10 -69.31 -41.57 76.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -176.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.512 ' HE1' HG13 ' A' ' 10' ' ' ILE . 25.9 p90 -68.36 -23.23 64.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -171.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.685 ' HG2' ' HB2' ' A' ' 26' ' ' PRO . 18.0 ptpt -98.15 156.15 16.81 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.92 146.5 46.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.613 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.4 HD11 ' OE1' ' A' ' 13' ' ' GLN . 46.1 mt -87.46 142.49 33.14 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 177.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -53.9 128.54 30.08 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.174 1.916 . . . . 0.0 110.919 169.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -71.51 -7.36 47.06 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -171.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.15 -23.49 71.26 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 173.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -102.18 166.4 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -129.68 148.4 51.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.78 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.99 139.9 38.11 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -139.73 147.9 41.54 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.184 0.516 . . . . 0.0 112.051 -176.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.475 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . 58.02 -107.27 1.02 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.444 -0.798 . . . . 0.0 114.717 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.918 ' HD2' ' HB2' ' A' ' 50' ' ' TYR . 56.3 mttm -96.7 128.85 44.05 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.479 1.133 . . . . 0.0 112.275 -170.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.0 t -126.48 110.18 13.0 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.054 168.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.38 -124.84 0.93 Allowed Glycine 0 CA--C 1.51 -0.279 0 C-N-CA 120.321 -0.943 . . . . 0.0 113.146 -176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.23 165.87 15.3 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 124.234 0.608 . . . . 0.0 111.619 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.54 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 50.8 tttp -65.67 -53.83 35.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.209 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -64.36 -29.39 70.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.392 178.848 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.513 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 38.8 t70 -69.92 -38.51 76.25 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 120.8 0.333 . . . . 0.0 110.358 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.415 ' SG ' HG21 ' A' ' 14' ' ' VAL . 27.9 t -66.67 -47.39 72.63 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 121.47 0.652 . . . . 0.0 109.773 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 72.7 mt -56.75 -44.3 81.6 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.159 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.75 -42.1 67.83 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.715 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.918 ' HB2' ' HD2' ' A' ' 40' ' ' LYS . 73.5 t80 -53.21 -49.47 66.7 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.593 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 4.0 mp -65.21 -34.83 73.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.066 0.46 . . . . 0.0 110.872 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.78 -42.61 99.77 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.817 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 8.7 mm-40 -43.3 -62.21 1.12 Allowed 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.4 p -91.5 -37.15 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 121.779 2.081 . . . . 0.0 109.929 -7.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.581 ' HD1' HG12 ' A' ' 54' ' ' VAL . 62.2 m95 -117.6 15.89 14.56 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 172.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.6 p -156.51 -176.95 6.25 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 120.82 0.343 . . . . 0.0 110.627 -167.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.37 -57.61 3.41 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 170.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.0 ttm 64.01 -78.94 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.263 174.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.49 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 13.4 ptm180 -123.55 131.67 24.29 Favored Pre-proline 0 C--N 1.317 -0.84 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 59' ' ' ARG . 5.8 Cg_exo -76.03 97.73 1.14 Allowed 'Trans proline' 0 C--O 1.224 -0.215 0 C-N-CA 122.743 2.295 . . . . 0.0 113.393 -172.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 pp -90.35 10.89 23.17 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.459 0.647 . . . . 0.0 109.956 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.9 p -60.49 -51.76 68.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.482 -176.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.592 HD23 ' H ' ' A' ' 63' ' ' LEU . 2.5 pt? -78.32 -3.7 44.32 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.998 0.428 . . . . 0.0 110.876 -178.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.536 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 1.7 mmp_? -96.3 -36.79 10.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.799 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 70.45 172.55 0.31 Allowed 'General case' 0 C--O 1.24 0.583 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.677 -172.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -80.36 -7.95 59.3 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 63.0 mtt -91.42 8.17 37.56 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.771 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 64' ' ' ARG . 27.8 t70 -57.98 -54.38 47.63 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.955 177.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.574 ' HZ2' ' HB3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -129.64 95.02 3.88 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 174.1 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.89 141.1 32.46 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.25 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.9 76.14 3.49 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.115 0.484 . . . . 0.0 110.376 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.161 0 CA-C-O 118.093 -1.393 . . . . 0.0 112.187 -177.894 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -128.27 136.03 50.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.998 0.428 . . . . 0.0 110.294 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 t -108.46 -22.9 12.1 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.264 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.0 p -92.47 -47.86 13.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 C-N-CA 120.551 -0.46 . . . . 0.0 109.989 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.9 p90 40.69 -165.58 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.526 1.13 . . . . 0.0 113.243 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -159.02 99.75 1.53 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -108.64 11.16 26.75 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -81.69 87.02 6.32 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.175 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -81.49 121.16 25.94 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 171.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.579 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 3.9 tp -142.82 -51.9 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.246 0.871 0 C-N-CA 120.394 -0.523 . . . . 0.0 111.094 -171.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.655 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 54.1 mt-30 85.45 112.2 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 123.855 0.862 . . . . 0.0 110.563 173.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -123.36 174.97 7.0 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.121 -1.399 . . . . 0.0 111.453 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 27.1 pt20 -139.51 150.44 45.13 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 113.547 -1.66 . . . . 0.0 107.132 169.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.416 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 61.6 t -93.06 127.98 44.83 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 O-C-N 121.485 -0.76 . . . . 0.0 109.217 -178.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 36' ' ' ARG . 20.1 m -113.81 137.44 46.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.865 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 5.9 p -128.54 132.78 67.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.433 HD22 ' HB2' ' A' ' 19' ' ' GLU . 37.9 p-10 -92.13 -163.43 1.04 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.822 0.344 . . . . 0.0 110.596 -175.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -82.74 -10.08 59.06 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.774 -0.579 . . . . 0.0 110.291 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.433 ' HB2' HD22 ' A' ' 17' ' ' ASN . 2.3 mp0 -98.01 13.9 29.28 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.753 178.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 53.45 32.13 13.43 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 125.498 1.519 . . . . 0.0 111.526 178.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.505 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 21.3 mt-30 -90.63 145.52 24.78 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 173.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -122.84 153.2 39.9 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-O 121.224 0.535 . . . . 0.0 112.029 -175.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.1 t -164.52 177.58 8.03 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.861 -178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.7 pt -119.05 132.81 67.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.721 0.772 . . . . 0.0 109.514 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.458 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 69.9 t-105 -125.74 141.4 39.12 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.236 -177.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.447 ' HD2' ' CD2' ' A' ' 25' ' ' TRP . 10.2 Cg_endo -55.63 130.45 40.51 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.102 1.868 . . . . 0.0 111.567 175.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -27.35 62.47 Favored 'General case' 0 N--CA 1.441 -0.884 0 O-C-N 121.128 -0.983 . . . . 0.0 111.057 -172.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -73.04 -19.47 61.18 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.35 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -100.09 152.2 20.51 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.414 0.626 . . . . 0.0 111.097 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -75.64 140.65 42.7 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.79 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.424 ' CG2' ' HB2' ' A' ' 35' ' ' TRP . 66.8 mt -65.72 136.23 95.83 Favored Pre-proline 0 C--N 1.317 -0.81 0 O-C-N 123.476 0.485 . . . . 0.0 110.532 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.28 138.3 82.99 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.542 2.161 . . . . 0.0 111.315 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -63.41 122.3 15.91 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 121.153 0.501 . . . . 0.0 110.127 -174.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.24 -20.9 6.98 Favored Glycine 0 C--N 1.311 -0.859 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -176.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.472 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 83.0 m95 -105.67 159.46 15.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 73.1 mtm180 -129.15 147.8 51.03 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.028 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB2' HD12 ' A' ' 31' ' ' ILE . . . -76.32 134.95 39.58 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.754 0.311 . . . . 0.0 110.414 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.416 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -155.16 169.29 24.48 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.073 -177.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.1 -132.14 16.38 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.246 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -125.56 130.7 52.22 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 110.741 -0.096 . . . . 0.0 110.741 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.0 m -95.3 129.6 42.37 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.652 -0.869 . . . . 0.0 108.652 174.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.655 ' O ' ' HA ' ' A' ' 11' ' ' GLN . . . 166.97 -128.84 1.8 Allowed Glycine 0 C--O 1.24 0.524 0 C-N-CA 119.958 -1.115 . . . . 0.0 112.242 -177.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.52 157.06 30.58 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.882 -0.775 . . . . 0.0 110.224 -175.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.574 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 74.6 tttt -51.7 -50.27 60.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.433 0.635 . . . . 0.0 111.008 177.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.564 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -63.03 -29.56 70.91 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.691 -177.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.564 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 37.9 t0 -72.5 -43.89 63.01 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 122.714 0.406 . . . . 0.0 110.565 -176.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.586 ' O ' HG12 ' A' ' 51' ' ' ILE . 79.0 m -66.24 -40.86 90.53 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.761 176.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 85.8 mt -58.46 -42.64 87.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.891 177.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.19 75.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.382 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -63.06 -33.3 75.14 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 124.067 0.854 . . . . 0.0 111.833 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.586 HG12 ' O ' ' A' ' 47' ' ' CYS . 25.2 mm -69.37 -34.66 63.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.486 0.66 . . . . 0.0 110.202 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.07 -35.26 74.77 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.965 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.886 ' HB3' ' HB ' ' A' ' 56' ' ' THR . 15.3 mm-40 -48.49 -62.57 1.43 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -173.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.586 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.2 p -99.93 -39.09 7.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.753 0 CA-C-N 121.201 1.818 . . . . 0.0 111.254 -1.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -85.79 -23.46 27.22 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 121.915 -0.491 . . . . 0.0 110.441 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.886 ' HB ' ' HB3' ' A' ' 53' ' ' GLU . 5.2 t 49.55 47.16 22.98 Favored 'General case' 0 C--O 1.238 0.462 0 O-C-N 124.591 1.182 . . . . 0.0 112.042 172.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 58' ' ' MET . 26.1 t70 -120.86 114.76 22.06 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -174.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 0.4 OUTLIER 72.35 -67.66 0.25 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.725 0.81 . . . . 0.0 110.495 -173.102 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -141.23 108.73 6.26 Favored Pre-proline 0 C--O 1.236 0.354 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.713 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.48 -179.85 4.51 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.646 2.231 . . . . 0.0 111.094 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 53' ' ' GLU . 3.4 pp -81.15 17.07 1.34 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.366 0.603 . . . . 0.0 112.523 -177.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.518 ' O ' ' HB3' ' A' ' 66' ' ' HIS . 47.8 t -60.9 -27.91 68.52 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.259 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -65.97 -37.16 85.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.528 0.68 . . . . 0.0 110.081 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.0 ttm105 -76.53 -61.37 1.98 Allowed 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.749 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.465 ' HB3' ' HB3' ' A' ' 68' ' ' ASP . 27.6 mt-30 -100.82 80.69 2.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.6 ' CD2' ' HG3' ' A' ' 67' ' ' MET . 9.9 p-80 -99.58 -22.63 15.37 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.166 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.6 ' HG3' ' CD2' ' A' ' 66' ' ' HIS . 83.4 mtp -99.96 0.06 40.38 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.465 ' HB3' ' HB3' ' A' ' 65' ' ' GLN . 38.3 t70 -108.14 133.31 52.59 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -92.42 153.59 19.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.165 0.507 . . . . 0.0 111.337 -174.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.65 -47.29 48.75 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.653 0.739 . . . . 0.0 109.181 173.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -139.16 91.43 2.51 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.443 177.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.643 0 C-N-CA 120.036 -1.078 . . . . 0.0 111.389 -178.891 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ppp? . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 121.62 0.724 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 t -74.47 147.6 41.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.708 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 m -60.55 123.94 18.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.415 0.626 . . . . 0.0 111.501 -176.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.0 t -73.49 -41.81 56.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.09 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' A' ' 8' ' ' ASP . 27.8 t80 -128.61 84.97 2.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.411 175.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 30.2 t70 -72.45 142.21 48.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.219 -174.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 6' ' ' ASP . 68.6 ttt180 77.31 -45.08 0.46 Allowed 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.397 176.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.595 ' HA ' ' CE2' ' A' ' 5' ' ' PHE . 12.9 t70 62.07 -148.7 0.38 Allowed 'General case' 0 C--O 1.243 0.749 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -170.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.461 ' H ' ' CG ' ' A' ' 8' ' ' ASP . 24.5 t70 -155.43 -64.73 0.12 Allowed 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 173.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.2 tt 179.95 131.63 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.244 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.492 ' HG2' ' HA ' ' A' ' 43' ' ' LEU . 80.9 mt-30 -103.6 144.54 31.29 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.502 -177.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -129.66 179.65 5.71 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 122.671 1.224 . . . . 0.0 111.413 -171.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.585 ' NE2' HD11 ' A' ' 31' ' ' ILE . 16.3 pt20 -156.38 162.88 40.01 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 113.44 -1.709 . . . . 0.0 108.274 177.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 18.1 t -97.93 129.98 47.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.22 -175.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 15.5 m -120.89 148.25 24.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.263 0.554 . . . . 0.0 110.318 176.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 11.2 p -129.15 140.44 49.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.483 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -128.2 86.15 2.43 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 68.41 -46.94 0.54 Allowed 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 161.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.514 ' HB2' ' HG3' ' A' ' 21' ' ' GLN . 4.7 mp0 -93.03 6.73 46.91 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.918 -176.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 42.8 tt0 73.74 22.21 2.59 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -175.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.514 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 25.3 mt-30 -72.66 103.13 3.49 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.314 172.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 14.9 p90 -98.1 134.73 40.77 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 120.996 0.427 . . . . 0.0 110.759 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.6 t -143.99 179.36 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.415 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.51 HG22 ' SG ' ' A' ' 47' ' ' CYS . 41.7 pt -109.52 134.07 52.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-O 120.818 0.342 . . . . 0.0 110.834 -177.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.455 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 68.3 t-105 -129.94 138.55 33.35 Favored Pre-proline 0 C--N 1.315 -0.916 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.641 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 52.4 Cg_exo -53.84 134.0 57.05 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.458 2.105 . . . . 0.0 111.934 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.524 ' HA ' ' OE1' ' A' ' 13' ' ' GLN . 9.0 tm-20 -64.2 -31.44 72.64 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.551 -172.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -18.96 42.4 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.788 -175.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.641 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 98.3 mttt -92.76 155.17 17.85 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 121.862 0.839 . . . . 0.0 112.106 -170.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -75.57 124.32 27.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.537 -1.211 . . . . 0.0 109.749 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.585 HD11 ' NE2' ' A' ' 13' ' ' GLN . 65.5 mt -67.09 137.52 94.46 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -55.62 143.54 78.76 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.163 1.909 . . . . 0.0 112.497 174.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -56.38 -23.08 35.47 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -174.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.41 -20.93 55.84 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.17 -1.014 . . . . 0.0 112.225 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -100.7 146.95 26.57 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.553 0.692 . . . . 0.0 111.154 -174.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -117.93 139.49 51.08 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.716 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . . . -75.08 132.99 41.66 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 123.14 0.576 . . . . 0.0 110.513 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -147.72 159.4 43.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.169 0.509 . . . . 0.0 110.231 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.74 -131.84 11.41 Favored Glycine 0 C--O 1.246 0.844 0 C-N-CA 121.024 -0.608 . . . . 0.0 113.374 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -129.13 155.86 44.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.367 0.603 . . . . 0.0 110.665 -177.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' A' ' 13' ' ' GLN . 6.6 p -114.01 155.6 25.6 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.437 174.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.19 -151.66 21.4 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.492 ' HA ' ' HG2' ' A' ' 11' ' ' GLN . 3.5 mm? -62.73 171.6 2.01 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.156 0.503 . . . . 0.0 111.749 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 85.4 tttt -64.39 -50.62 66.95 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.994 0.426 . . . . 0.0 110.932 -177.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -29.6 70.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.844 -178.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.429 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 4.2 m-20 -62.95 -42.09 99.71 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.473 177.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.598 ' O ' HG12 ' A' ' 51' ' ' ILE . 18.8 t -75.33 -39.69 59.13 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -178.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 76.5 mt -60.48 -49.59 76.97 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 121.398 0.618 . . . . 0.0 111.165 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.05 -47.36 68.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.771 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.411 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 51.6 t80 -54.85 -41.73 71.13 Favored 'General case' 0 C--N 1.311 -1.105 0 O-C-N 124.29 0.994 . . . . 0.0 111.92 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.598 HG12 ' O ' ' A' ' 47' ' ' CYS . 21.4 mm -70.66 -34.98 59.03 Favored 'Isoleucine or valine' 0 C--O 1.248 1.0 0 CA-C-O 121.14 0.495 . . . . 0.0 110.894 -174.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.37 -40.09 95.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.411 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.598 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 20.3 mm-40 -46.03 -61.9 1.56 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -175.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.598 ' C ' ' HB2' ' A' ' 53' ' ' GLU . 3.8 p -88.06 -31.37 5.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 CA-C-N 121.72 2.055 . . . . 0.0 109.027 -5.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 15.0 t90 -145.79 27.25 1.21 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 122.509 1.147 . . . . 0.0 108.101 168.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 56' ' ' THR . 5.0 t -174.36 86.24 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.602 -174.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.84 98.58 5.63 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.92 171.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.9 tpt -130.3 -14.23 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.643 0.735 . . . . 0.0 110.119 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -127.37 124.28 23.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.21 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.49 68.86 2.09 Favored 'Trans proline' 0 C--O 1.243 0.762 0 C-N-CA 122.875 2.384 . . . . 0.0 111.405 175.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.738 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 3.6 pp -60.5 -17.49 45.71 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.112 -177.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 p -57.23 -39.58 75.83 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.854 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 pp -108.82 5.11 24.28 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.273 0.558 . . . . 0.0 110.908 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.738 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . 26.3 mmt180 -92.29 0.35 57.45 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.071 -176.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -149.64 147.82 28.56 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 123.139 0.274 . . . . 0.0 111.012 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.462 ' CB ' ' HA2' ' A' ' 72' ' ' GLY . 21.2 t60 -91.65 -53.15 4.42 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.44 ' HG2' ' H ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -107.54 -55.54 2.34 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 171.219 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 20.3 t70 178.18 98.88 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 119.609 -0.234 . . . . 0.0 111.504 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.577 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 39.4 ttmt 167.33 -86.53 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.674 0 O-C-N 123.988 0.805 . . . . 0.0 110.47 168.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.412 ' H ' ' HB3' ' A' ' 69' ' ' LYS . . . -164.22 116.24 1.33 Allowed 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 123.289 0.636 . . . . 0.0 110.312 -173.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 70' ' ' ALA . . . 70.68 -58.73 0.55 Allowed 'General case' 0 N--CA 1.466 0.357 0 O-C-N 124.422 1.076 . . . . 0.0 109.955 -168.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.462 ' HA2' ' CB ' ' A' ' 66' ' ' HIS . . . . . . . . 0 N--CA 1.439 -1.141 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 170.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.482 1.159 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.641 HG21 ' HB3' ' A' ' 6' ' ' ASP . 2.2 t -148.49 149.7 32.11 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.538 0.685 . . . . 0.0 111.783 -174.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 p -127.1 -37.24 2.09 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.751 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.575 HG13 ' HB2' ' A' ' 45' ' ' LYS . 39.7 t -116.21 -45.96 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.558 ' CZ ' ' HB ' ' A' ' 2' ' ' THR . 34.2 p90 -74.3 0.94 12.7 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 -167.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.641 ' HB3' HG21 ' A' ' 2' ' ' THR . 9.1 p-10 -87.71 -11.42 48.3 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.277 -0.569 . . . . 0.0 111.17 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 4' ' ' VAL . 15.7 ptt180 -103.79 150.6 23.95 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.817 0.342 . . . . 0.0 110.286 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -73.9 -65.32 0.85 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.217 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.8 t70 60.9 -79.74 0.02 OUTLIER 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.949 -177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 tp -176.58 140.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 C-N-CA 123.258 0.623 . . . . 0.0 109.786 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.822 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 27.4 mp0 -106.71 139.67 40.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.582 0.706 . . . . 0.0 110.511 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -125.91 178.33 5.8 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.97 0.891 . . . . 0.0 111.108 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -139.82 146.65 39.66 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.361 -1.29 . . . . 0.0 107.662 169.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 50' ' ' TYR . 24.7 t -90.1 126.45 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 C-N-CA 119.322 -0.951 . . . . 0.0 108.787 -178.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.457 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 16.9 m -114.81 149.34 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-O 121.184 0.516 . . . . 0.0 110.62 178.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p -117.26 133.25 64.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.67 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -78.11 165.41 24.01 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -70.68 -1.41 11.23 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.455 0.645 . . . . 0.0 110.685 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.98 13.73 32.97 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.391 175.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 59.88 28.25 17.72 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.711 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.458 HE21 ' HB3' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -104.42 126.71 51.75 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -178.777 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -93.79 149.79 20.94 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.622 0.248 . . . . 0.0 111.474 -170.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -152.71 176.24 11.98 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.6 pt -113.72 140.14 35.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -135.86 127.3 17.22 Favored Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.561 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 44.5 Cg_exo -55.84 128.15 29.09 Favored 'Trans proline' 0 CA--C 1.512 -0.614 0 C-N-CA 122.435 2.09 . . . . 0.0 110.835 178.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.18 -36.59 80.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.742 0.306 . . . . 0.0 111.516 -168.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -66.43 -15.52 63.39 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.561 ' HE2' ' HG2' ' A' ' 26' ' ' PRO . 47.3 mtmt -96.49 149.3 21.9 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.203 0.525 . . . . 0.0 111.108 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -74.33 136.63 42.55 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.119 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 34.8 pt -80.07 146.83 64.07 Favored Pre-proline 0 C--O 1.243 0.719 0 O-C-N 122.002 -0.436 . . . . 0.0 110.215 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 7.3 Cg_exo -73.42 154.41 50.66 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 123.006 2.471 . . . . 0.0 111.376 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.41 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 7.0 tp60 -64.71 117.96 8.22 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.788 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.04 -18.6 5.87 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.024 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.457 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 76.3 m95 -103.53 145.57 29.83 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HA ' ' HD3' ' A' ' 36' ' ' ARG . 10.6 mmt180 -125.07 143.23 51.02 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.56 129.38 39.53 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 121.398 0.618 . . . . 0.0 111.385 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.514 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . . . -80.08 -153.72 0.09 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.464 178.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.21 13.53 57.16 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.172 -1.013 . . . . 0.0 114.036 -170.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HD2' ' HD2' ' A' ' 50' ' ' TYR . 57.6 mttm -148.8 123.87 10.08 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 177.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.5 m -119.31 136.85 54.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.284 170.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.96 -165.27 37.54 Favored Glycine 0 C--N 1.317 -0.519 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.822 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 1.7 pt? -77.53 178.92 6.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 118.085 0.942 . . . . 0.0 110.213 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -46.13 -38.87 8.7 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.583 0.753 . . . . 0.0 112.702 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.575 ' HB2' HG13 ' A' ' 4' ' ' VAL . 58.7 tptt -61.39 -50.05 74.41 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.21 -177.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -72.73 -34.26 66.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.857 0.837 . . . . 0.0 111.042 -176.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.445 ' HG ' HG21 ' A' ' 14' ' ' VAL . 37.5 t -70.06 -46.64 64.54 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.659 -177.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 tp -58.14 -46.36 85.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.966 176.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.66 -40.9 66.28 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.04 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.555 ' CD1' HG13 ' A' ' 14' ' ' VAL . 46.6 t80 -56.58 -39.85 74.23 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -177.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.576 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.8 mp -65.1 -35.54 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-O 121.412 0.625 . . . . 0.0 110.671 -178.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.11 -45.44 87.27 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.746 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.605 ' HA ' ' HD3' ' A' ' 59' ' ' ARG . 5.6 mm-40 -47.4 -60.96 2.15 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.749 1.281 . . . . 0.0 114.148 -171.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.576 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.7 p -94.0 -35.73 6.59 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 CA-C-N 121.758 2.072 . . . . 0.0 109.566 -3.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.54 ' HE3' ' HA ' ' A' ' 55' ' ' TRP . 0.8 OUTLIER -153.03 20.61 0.58 Allowed 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.726 0.774 . . . . 0.0 109.016 176.705 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 3.8 t -169.0 81.14 0.13 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.434 -173.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' A' ' 56' ' ' THR . 30.3 t70 158.47 137.64 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.099 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.4 mtm -87.03 97.74 10.89 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.605 ' HD3' ' HA ' ' A' ' 53' ' ' GLU . 13.8 ptm180 -149.51 40.76 0.22 Allowed Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -175.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.596 ' HD3' ' N ' ' A' ' 59' ' ' ARG . 27.5 Cg_exo -62.0 117.26 4.09 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 121.148 1.232 . . . . 0.0 110.694 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.3 -22.98 33.76 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -173.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 m -67.25 -28.25 67.88 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.951 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.538 HD12 ' HD2' ' A' ' 60' ' ' PRO . 3.9 pp -123.26 9.87 9.23 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.743 0.306 . . . . 0.0 110.619 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -94.37 0.59 55.6 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.308 -177.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -53.8 103.54 0.08 Allowed 'General case' 0 C--N 1.338 0.067 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.045 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -99.41 -12.17 20.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.946 0.403 . . . . 0.0 110.868 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.64 -25.47 38.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.204 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 3.8 p-10 -157.49 160.19 38.02 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 174.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 29.5 mmmt 69.79 14.87 8.04 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.747 0.654 . . . . 0.0 110.978 -175.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -116.99 -12.42 10.68 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.96 128.25 55.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.195 0.521 . . . . 0.0 110.629 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.129 0 CA-C-O 118.928 -0.929 . . . . 0.0 112.377 -179.727 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 ttm . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 120.69 0.281 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.4 p -72.16 146.15 47.61 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.437 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 t -85.59 68.13 10.32 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -177.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.1 m -91.47 -19.2 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.767 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.416 ' CE1' ' HE3' ' A' ' 45' ' ' LYS . 18.3 t80 65.77 173.37 0.23 Allowed 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.022 0.826 . . . . 0.0 110.017 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 5' ' ' PHE . 4.1 t70 74.42 -50.36 0.68 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 122.987 0.515 . . . . 0.0 112.316 174.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 7' ' ' ARG . 23.5 tpt180 -119.27 138.98 52.64 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.533 ' HB3' HD12 ' A' ' 43' ' ' LEU . 2.9 t0 -152.56 -168.67 3.12 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 176.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -159.22 -44.34 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.586 0.231 . . . . 0.0 110.632 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tt -92.46 142.07 13.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.493 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -102.21 138.65 38.87 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.968 0.414 . . . . 0.0 110.506 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.419 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 96.5 m-85 -124.95 177.38 6.08 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.795 0.807 . . . . 0.0 111.298 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' A' ' 27' ' ' GLU . 27.4 pt20 -147.48 157.28 43.51 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 173.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.569 ' HB ' ' HA3' ' A' ' 39' ' ' GLY . 58.6 t -97.59 125.94 50.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.742 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 28.0 m -117.02 156.07 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p -122.54 135.84 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-O 121.303 0.573 . . . . 0.0 110.77 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.504 ' HB2' ' CZ3' ' A' ' 35' ' ' TRP . 20.2 t-20 -85.19 173.27 10.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.587 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -68.4 -10.03 52.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.038 0.447 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -90.15 3.88 52.1 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 61.17 36.98 17.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.339 -1.301 . . . . 0.0 110.73 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -107.1 138.15 43.81 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 121.427 0.632 . . . . 0.0 109.371 176.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -92.48 139.72 30.3 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 122.167 0.984 . . . . 0.0 111.882 -174.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -139.32 171.54 14.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.113 -1.403 . . . . 0.0 107.996 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.0 pt -117.82 143.99 26.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.158 0.504 . . . . 0.0 110.963 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.401 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 63.3 t-105 -142.89 139.85 17.46 Favored Pre-proline 0 C--N 1.3 -1.576 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.237 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.88 125.87 20.52 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.343 2.029 . . . . 0.0 110.36 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.514 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 6.3 pt-20 -68.24 -27.03 66.0 Favored 'General case' 0 C--O 1.243 0.735 0 O-C-N 123.648 0.592 . . . . 0.0 111.798 -169.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -81.32 -12.77 58.95 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 122.828 0.451 . . . . 0.0 111.45 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -97.51 158.95 15.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.28 129.92 36.52 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.373 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.8 mt -71.47 127.99 90.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.172 177.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.08 157.25 35.3 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.399 2.066 . . . . 0.0 112.295 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -72.57 110.08 6.69 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.967 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.52 -16.86 3.33 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.397 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.504 ' CZ3' ' HB2' ' A' ' 17' ' ' ASN . 84.3 m95 -107.21 140.6 39.83 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.431 -0.452 . . . . 0.0 110.649 177.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -110.47 136.81 49.03 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.03 118.66 13.16 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -167.24 91.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.923 0.868 . . . . 0.0 111.579 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.569 ' HA3' ' HB ' ' A' ' 14' ' ' VAL . . . 164.96 -121.45 1.01 Allowed Glycine 0 CA--C 1.522 0.527 0 C-N-CA 119.117 -1.516 . . . . 0.0 112.327 175.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -129.32 137.86 51.25 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 114.806 -0.697 . . . . 0.0 109.542 -175.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -109.32 140.37 43.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.993 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.33 -141.17 8.11 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 119.699 -1.239 . . . . 0.0 111.422 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 8' ' ' ASP . 2.7 mm? -79.41 175.29 10.74 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.437 -0.382 . . . . 0.0 110.856 -177.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.628 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 55.6 tptt -56.12 -47.5 77.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.893 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.606 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -60.01 -32.78 71.2 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.452 -179.64 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.606 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 45.7 m-20 -69.63 -38.09 77.06 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 64.0 m -71.81 -44.72 63.46 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 124.178 0.924 . . . . 0.0 110.214 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 77.7 mt -55.14 -49.91 70.61 Favored 'General case' 0 C--O 1.242 0.676 0 O-C-N 124.033 0.833 . . . . 0.0 110.741 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.656 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -54.49 -47.41 73.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.254 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.534 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 89.8 t80 -53.82 -50.15 66.8 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 123.511 0.507 . . . . 0.0 112.288 -176.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.677 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 2.1 mp -64.33 -34.12 67.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.364 0.602 . . . . 0.0 110.849 -177.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -71.32 -31.44 67.41 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 121.488 -0.758 . . . . 0.0 112.594 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.656 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 5.2 mm-40 -44.5 -62.11 1.3 Allowed 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 118.731 -0.652 . . . . 0.0 112.628 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.677 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.8 p -97.23 -39.82 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-N 120.535 1.516 . . . . 0.0 111.104 -4.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.477 ' C ' ' HG1' ' A' ' 56' ' ' THR . 92.2 m95 -76.97 79.35 3.52 Favored 'General case' 0 N--CA 1.445 -0.717 0 O-C-N 121.971 -0.456 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.477 ' HG1' ' C ' ' A' ' 55' ' ' TRP . 45.4 p 56.68 -81.77 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.484 1.114 . . . . 0.0 113.311 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.71 -175.33 0.1 Allowed 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 123.03 0.532 . . . . 0.0 111.905 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.6 tpt -142.38 65.64 1.35 Allowed 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 122.036 0.922 . . . . 0.0 109.003 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 4.1 ptp180 -147.09 88.93 5.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.905 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.769 ' HG2' ' HB2' ' A' ' 63' ' ' LEU . 18.6 Cg_endo -60.38 151.75 72.16 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 121.732 1.621 . . . . 0.0 112.132 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.97 -36.34 76.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.047 0.451 . . . . 0.0 111.019 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 7.8 m -78.32 -1.93 35.58 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.001 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.769 ' HB2' ' HG2' ' A' ' 60' ' ' PRO . 41.4 tp -84.13 -34.05 24.17 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.705 0.764 . . . . 0.0 109.378 175.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -88.09 -43.94 11.31 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -82.51 98.46 8.95 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.453 0.644 . . . . 0.0 109.526 176.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -80.09 -18.19 50.63 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.655 -178.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.783 ' HA ' ' HE2' ' A' ' 67' ' ' MET . 22.3 mmt -83.59 -18.58 37.75 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.538 0.685 . . . . 0.0 109.612 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -86.9 94.28 9.54 Favored 'General case' 0 CA--C 1.502 -0.893 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 170.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -67.4 99.67 0.76 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.714 -169.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.433 ' HB2' ' CB ' ' A' ' 62' ' ' SER . . . -171.13 21.01 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.266 0.555 . . . . 0.0 111.162 176.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.66 139.66 45.58 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.013 0.435 . . . . 0.0 110.119 -178.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.582 0 C-N-CA 120.248 -0.977 . . . . 0.0 111.246 -176.14 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.792 0.33 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.551 HG21 ' CB ' ' A' ' 6' ' ' ASP . 86.1 m -64.85 95.2 0.15 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.24 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 m -163.43 -48.17 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 121.002 0.43 . . . . 0.0 110.479 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.0 t -83.46 -55.31 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-O 121.379 0.609 . . . . 0.0 111.302 -172.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -147.69 68.63 1.12 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.832 0.825 . . . . 0.0 110.72 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.551 ' CB ' HG21 ' A' ' 2' ' ' THR . 0.7 OUTLIER -117.29 0.33 12.21 Favored 'General case' 0 CA--C 1.502 -0.897 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.11 172.46 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 7' ' ' ARG . 59.2 mtt85 -84.32 158.64 21.11 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.079 178.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.6 t70 67.73 23.64 8.57 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 124.24 0.962 . . . . 0.0 110.63 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -80.61 46.48 0.87 Allowed 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.448 0.642 . . . . 0.0 109.542 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.844 HG13 ' HE2' ' A' ' 28' ' ' TYR . 4.4 tt -82.92 144.27 10.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.031 -175.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -95.62 129.08 42.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -113.03 159.35 19.25 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.034 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.443 ' NE2' HD13 ' A' ' 31' ' ' ILE . 20.4 pt20 -134.85 147.82 49.99 Favored 'General case' 0 N--CA 1.435 -1.213 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.2 t -91.25 125.41 43.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 m -113.57 145.29 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.42 140.83 42.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.572 ' OD1' ' HG2' ' A' ' 21' ' ' GLN . 34.1 p-10 -92.9 -170.38 2.42 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -81.2 7.61 10.83 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.734 0.778 . . . . 0.0 111.374 -176.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -112.6 7.77 18.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.538 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 58.88 43.97 17.37 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.888 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.572 ' HG2' ' OD1' ' A' ' 17' ' ' ASN . 11.4 pt20 -107.71 143.84 35.66 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 171.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -112.77 143.26 44.3 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -168.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.5 m -154.11 174.76 14.28 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 174.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.3 pt -120.84 146.45 25.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.248 0.547 . . . . 0.0 110.304 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 46.1 t-105 -137.0 138.53 26.03 Favored Pre-proline 0 C--N 1.315 -0.902 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -176.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.521 ' HB3' HD12 ' A' ' 10' ' ' ILE . 33.4 Cg_exo -61.26 130.78 33.52 Favored 'Trans proline' 0 C--O 1.223 -0.232 0 C-N-CA 122.128 1.885 . . . . 0.0 111.344 176.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.24 -23.96 67.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.028 0.83 . . . . 0.0 111.697 -172.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.844 ' HE2' HG13 ' A' ' 10' ' ' ILE . 25.3 m-85 -67.13 -26.68 66.8 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.947 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -100.55 146.63 26.86 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.99 0.424 . . . . 0.0 111.364 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -71.27 139.25 49.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.934 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.443 HD13 ' NE2' ' A' ' 13' ' ' GLN . 41.3 mt -68.88 137.45 90.03 Favored Pre-proline 0 C--O 1.237 0.422 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.726 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -58.51 141.7 97.49 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.599 2.199 . . . . 0.0 110.792 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -67.91 114.27 6.33 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.75 -24.05 2.76 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -108.21 161.25 15.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.954 -0.623 . . . . 0.0 109.718 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -134.55 146.05 49.29 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.08 135.47 44.81 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.486 -178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.21 12.25 22.92 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.672 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.18 -6.46 71.66 Favored Glycine 0 N--CA 1.462 0.386 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.348 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -106.52 110.65 22.92 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.027 0.441 . . . . 0.0 111.726 -174.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.4 t -124.16 148.32 47.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.959 174.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.83 -163.75 37.4 Favored Glycine 0 C--N 1.312 -0.786 0 C-N-CA 121.209 -0.519 . . . . 0.0 112.232 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.59 174.31 7.69 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.895 0.379 . . . . 0.0 110.765 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.603 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 21.7 ttmm -59.49 -53.34 59.2 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.352 -177.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.594 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -56.87 -33.17 66.59 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.901 -177.23 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.594 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 1.9 t70 -70.79 -39.67 73.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.594 -175.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.63 ' O ' HG12 ' A' ' 51' ' ' ILE . 66.5 m -73.75 -42.33 61.24 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.478 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 88.2 mt -57.97 -47.6 82.47 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.435 178.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.25 -40.26 77.26 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 124.023 0.827 . . . . 0.0 110.946 176.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -65.11 -38.89 92.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.381 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.63 HG12 ' O ' ' A' ' 47' ' ' CYS . 22.8 mm -71.32 -34.35 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 121.162 0.506 . . . . 0.0 109.846 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.16 -37.01 78.87 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 123.243 0.617 . . . . 0.0 111.681 175.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.605 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 75.1 mm-40 -44.65 -61.13 1.68 Allowed 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -176.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.605 ' C ' ' HB2' ' A' ' 53' ' ' GLU . 2.7 p -89.99 -34.03 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 119.279 -2.138 . . . . 0.0 108.782 -2.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -165.19 14.83 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 167.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.5 t 165.13 -160.87 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 113.668 -1.605 . . . . 0.0 108.417 -163.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 t70 75.13 -68.28 0.22 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.46 0.704 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.1 ptp -106.86 92.09 3.94 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.649 ' HB3' ' HD3' ' A' ' 60' ' ' PRO . 33.9 ttm180 -66.5 -43.58 52.67 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.685 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.649 ' HD3' ' HB3' ' A' ' 59' ' ' ARG . 3.7 Cg_exo -79.06 105.79 1.98 Allowed 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 123.099 2.533 . . . . 0.0 110.584 167.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.1 tp -66.94 -19.8 65.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.423 -177.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.3 t -69.8 -2.1 11.15 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 123.611 0.569 . . . . 0.0 110.949 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.9 tp -65.59 -48.71 71.41 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 120.59 0.233 . . . . 0.0 111.459 178.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -82.92 -12.22 57.54 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.502 ' HG2' ' HB2' ' A' ' 68' ' ' ASP . 24.8 tt0 -85.04 82.77 8.3 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -80.67 -27.6 37.05 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.353 -170.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 93.3 mtp -73.67 -40.28 63.8 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.502 ' HB2' ' HG2' ' A' ' 65' ' ' GLN . 17.6 m-20 -88.6 108.05 19.23 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.152 0.501 . . . . 0.0 111.205 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -121.65 105.05 10.07 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.357 175.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.69 110.4 1.29 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.755 -173.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.94 -30.16 8.24 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 122.128 0.965 . . . . 0.0 108.843 171.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.582 0 CA-C-O 117.905 -1.497 . . . . 0.0 111.409 177.047 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.52 ' HE2' ' HB3' ' A' ' 48' ' ' LEU . 41.4 ttp . . . . . 0 N--CA 1.471 0.577 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.6 m -108.88 114.28 27.91 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 120.727 0.299 . . . . 0.0 110.764 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.655 ' HB2' ' HB2' ' A' ' 45' ' ' LYS . 25.1 p -86.41 91.01 8.38 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.106 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.485 ' O ' ' HB3' ' A' ' 5' ' ' PHE . 24.9 t -92.73 -24.91 5.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.485 ' HB3' ' O ' ' A' ' 4' ' ' VAL . 65.0 t80 73.58 113.73 0.06 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.194 0.598 . . . . 0.0 109.727 -170.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -74.42 -79.96 0.08 Allowed 'General case' 0 C--N 1.321 -0.67 0 O-C-N 123.613 0.571 . . . . 0.0 111.349 -172.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -158.69 -28.14 0.07 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.778 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.469 ' OD2' ' HB ' ' A' ' 10' ' ' ILE . 34.5 t70 -92.32 136.85 32.86 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.161 -0.337 . . . . 0.0 111.076 -173.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -78.14 49.21 0.79 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 122.163 0.982 . . . . 0.0 110.437 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.469 ' HB ' ' OD2' ' A' ' 8' ' ' ASP . 8.7 tp -84.69 124.04 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 O-C-N 121.615 -0.678 . . . . 0.0 110.502 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -104.53 133.15 49.88 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.164 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -124.41 164.24 20.08 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 122.61 1.195 . . . . 0.0 111.687 -176.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -139.76 148.71 42.64 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.278 -1.328 . . . . 0.0 108.262 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -90.22 121.82 40.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.5 m -115.41 147.91 18.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-O 121.634 0.731 . . . . 0.0 110.702 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' A' ' 20' ' ' GLU . 14.2 p -130.88 137.38 56.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.122 179.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -84.81 175.78 8.93 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.411 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 40.2 m80 -70.83 -4.29 23.36 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 177.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -96.26 7.7 45.77 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 47.1 mt-10 55.61 29.18 13.1 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.925 178.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -94.72 138.58 32.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.686 171.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -98.87 151.16 21.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.243 0.544 . . . . 0.0 110.637 -173.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.8 m -154.76 171.76 19.06 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.493 -1.23 . . . . 0.0 109.76 172.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.1 pt -113.0 128.53 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 O-C-N 121.677 -0.639 . . . . 0.0 110.603 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -128.98 135.85 28.27 Favored Pre-proline 0 N--CA 1.445 -0.678 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.049 -175.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -57.95 136.51 75.6 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 121.92 1.747 . . . . 0.0 111.129 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.56 -45.4 90.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.065 0.46 . . . . 0.0 111.288 -172.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -69.1 -17.72 63.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.464 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 29' ' ' LYS . 23.0 ttmm -86.33 142.4 28.52 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.921 -177.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -80.41 130.77 35.38 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 25.7 pt -83.12 144.69 47.64 Favored Pre-proline 0 C--O 1.241 0.611 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.547 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 13.2 Cg_exo -67.59 155.35 70.49 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.149 1.9 . . . . 0.0 110.732 174.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -74.4 124.94 27.45 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.443 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' HA2' ' CE1' ' A' ' 18' ' ' HIS . . . 131.18 -26.76 3.9 Favored Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -173.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -102.53 150.21 23.62 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.144 -0.528 . . . . 0.0 109.598 176.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -141.88 161.81 37.04 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 123.347 0.404 . . . . 0.0 110.413 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.19 114.24 6.51 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 123.472 0.482 . . . . 0.0 110.384 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.27 -54.56 14.03 Favored 'General case' 0 C--O 1.205 -1.238 0 C-N-CA 122.781 0.433 . . . . 0.0 111.259 -176.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.66 -99.6 0.18 Allowed Glycine 0 C--O 1.24 0.496 0 C-N-CA 119.634 -1.27 . . . . 0.0 112.97 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -101.4 147.09 26.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.027 0.442 . . . . 0.0 110.928 -172.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 p -131.62 154.01 49.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.306 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.94 -127.35 1.47 Allowed Glycine 0 C--O 1.225 -0.458 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.734 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.587 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 4.3 mm? -80.03 175.46 10.61 Favored 'General case' 0 C--O 1.247 0.943 0 CA-C-O 120.538 0.209 . . . . 0.0 110.701 177.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.638 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 84.2 tttt -56.99 -45.62 82.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.022 0.439 . . . . 0.0 111.024 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.655 ' HB2' ' HB2' ' A' ' 3' ' ' SER . 0.0 OUTLIER -59.3 -31.25 68.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.993 178.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.472 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 10.7 t70 -66.39 -48.98 68.39 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.759 -177.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.0 p -70.71 -35.94 72.99 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 121.484 0.659 . . . . 0.0 110.772 -176.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 77.1 mt -57.54 -49.69 75.53 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.618 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.512 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -57.18 -40.49 77.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.888 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 60.7 t80 -59.02 -40.65 85.62 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.421 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.602 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -67.54 -34.88 71.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.861 0.362 . . . . 0.0 110.235 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.98 -33.02 74.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.08 177.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.523 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 5.7 mm-40 -46.76 -61.54 1.8 Allowed 'General case' 0 CA--C 1.543 0.686 0 O-C-N 124.493 1.121 . . . . 0.0 112.775 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.602 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.4 p -93.26 -40.93 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 121.51 1.959 . . . . 0.0 108.706 -7.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -134.7 14.92 3.67 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 172.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -129.4 36.93 4.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 113.324 -1.762 . . . . 0.0 106.64 -176.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -48.69 141.69 6.95 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 113.604 -1.635 . . . . 0.0 112.825 -171.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.856 ' HG3' ' HD2' ' A' ' 60' ' ' PRO . 13.6 tpt -168.47 126.98 1.13 Allowed 'General case' 0 C--O 1.24 0.593 0 CA-C-N 113.31 -1.768 . . . . 0.0 108.222 177.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.658 ' HB3' ' HD3' ' A' ' 60' ' ' PRO . 19.0 tpp180 -57.99 -46.83 99.67 Favored Pre-proline 0 N--CA 1.451 -0.413 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -176.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.856 ' HD2' ' HG3' ' A' ' 58' ' ' MET . 37.3 Cg_exo -64.45 94.47 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.381 2.054 . . . . 0.0 110.83 168.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.5 mt -82.8 -29.14 29.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.568 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.7 m -72.05 -30.42 65.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.393 0.616 . . . . 0.0 109.878 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 48.7 tp -69.25 -35.73 76.42 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 173.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.441 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 44.1 tpt85 -79.45 -33.13 42.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.923 0.392 . . . . 0.0 110.662 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 70.12 122.21 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.411 1.085 . . . . 0.0 113.409 177.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -98.86 -0.18 42.94 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.606 -1.179 . . . . 0.0 108.773 172.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 58.2 ttp -77.09 -23.26 51.89 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.758 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -70.31 -69.84 0.33 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.084 0.468 . . . . 0.0 112.134 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -135.22 -50.57 0.75 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.715 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.12 116.75 17.12 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 121.364 0.602 . . . . 0.0 111.415 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.07 139.72 58.02 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.062 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.973 0 CA-C-O 119.018 -0.879 . . . . 0.0 111.475 -179.68 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 121.129 0.49 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m -75.5 145.89 41.02 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 m -68.74 90.41 0.41 Allowed 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.583 0.706 . . . . 0.0 110.129 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.417 ' O ' ' HB3' ' A' ' 5' ' ' PHE . 12.4 p -74.42 -13.99 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 123.333 0.653 . . . . 0.0 109.648 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' A' ' 4' ' ' VAL . 72.5 t80 72.69 106.7 0.07 Allowed 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.513 1.133 . . . . 0.0 110.735 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.72 133.62 37.14 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -75.52 -43.16 50.32 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.256 0.551 . . . . 0.0 112.06 -174.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -97.66 -33.68 11.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.47 -177.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' OD2' ' HB3' ' A' ' 43' ' ' LEU . 7.2 t70 -88.55 102.38 14.88 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -178.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.5 pt -91.39 -160.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.362 -176.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -99.5 124.89 45.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.278 0.561 . . . . 0.0 110.878 -174.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.519 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . 7.5 m-85 -131.48 -178.94 5.08 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 122.257 1.027 . . . . 0.0 111.131 -176.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.429 ' HB3' ' HG ' ' A' ' 41' ' ' SER . 19.3 pt20 -156.24 161.5 40.25 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.6 t -98.78 133.92 39.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 O-C-N 123.557 0.535 . . . . 0.0 110.068 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.486 HG12 HG21 ' A' ' 31' ' ' ILE . 17.0 m -115.66 142.18 29.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 O-C-N 123.773 0.671 . . . . 0.0 110.167 177.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 38' ' ' ALA . 14.5 p -113.83 136.2 51.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.691 0.757 . . . . 0.0 111.796 -174.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -82.1 164.96 20.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.204 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -68.63 -3.91 13.6 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.859 0.838 . . . . 0.0 111.983 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.419 ' HB2' HE22 ' A' ' 21' ' ' GLN . 45.0 mt-10 -114.44 17.04 17.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.613 176.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 57.9 49.31 12.12 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.962 1.305 . . . . 0.0 112.398 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.419 HE22 ' HB2' ' A' ' 19' ' ' GLU . 1.1 mp0 -91.71 140.59 29.56 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 167.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -108.75 121.9 46.02 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -177.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.6 m -128.48 163.88 23.96 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.2 pt -108.81 139.67 30.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 C-N-CA 120.376 -0.53 . . . . 0.0 109.999 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -142.22 132.94 12.77 Favored Pre-proline 0 N--CA 1.445 -0.695 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.51 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -55.11 126.74 23.58 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.771 2.314 . . . . 0.0 112.402 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -5.4 32.02 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.257 0.551 . . . . 0.0 111.908 -174.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -72.35 -38.41 68.58 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.14 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -100.47 166.26 11.03 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 123.824 0.703 . . . . 0.0 110.507 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -73.51 143.51 46.53 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.472 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.486 HG21 HG12 ' A' ' 15' ' ' VAL . 66.8 mt -61.13 135.6 93.49 Favored Pre-proline 0 C--O 1.239 0.516 0 C-N-CA 122.788 0.435 . . . . 0.0 110.621 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.3 135.81 46.47 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.875 2.383 . . . . 0.0 111.15 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -62.55 121.12 12.52 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.678 0.751 . . . . 0.0 111.272 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.91 -15.63 18.85 Favored Glycine 0 C--O 1.227 -0.318 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.26 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.462 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 50.9 m95 -105.81 164.13 12.18 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 123.852 0.383 . . . . 0.0 110.884 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 94.4 mtt180 -139.36 155.8 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.229 0.331 . . . . 0.0 110.212 177.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.93 126.39 29.55 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.726 0.298 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.465 ' HB3' ' HB ' ' A' ' 16' ' ' VAL . . . -118.4 132.24 56.26 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.582 -176.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.2 -91.99 1.04 Allowed Glycine 0 C--N 1.309 -0.951 0 O-C-N 123.984 0.803 . . . . 0.0 113.792 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.548 ' HZ1' ' HB2' ' A' ' 50' ' ' TYR . 23.4 pttm -151.55 167.91 26.57 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.655 0.74 . . . . 0.0 111.63 -174.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.429 ' HG ' ' HB3' ' A' ' 13' ' ' GLN . 23.2 t -125.98 159.72 31.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.412 177.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.47 -137.21 5.47 Favored Glycine 0 CA--C 1.498 -1.021 0 CA-C-O 119.635 -0.536 . . . . 0.0 111.775 -178.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' HB3' ' OD2' ' A' ' 9' ' ' ASP . 3.9 mm? -67.35 158.73 30.91 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 117.472 0.636 . . . . 0.0 109.544 175.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.564 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 24.9 ttpp -63.33 -42.18 98.95 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.098 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -29.48 70.54 Favored 'General case' 0 N--CA 1.44 -0.939 0 O-C-N 123.897 0.748 . . . . 0.0 111.02 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.445 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 67.0 m-20 -71.41 -33.41 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.7 m -75.34 -38.42 60.19 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.453 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 75.8 mt -60.84 -42.09 97.1 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.744 173.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.61 74.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.756 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.702 ' HA ' ' HG3' ' A' ' 53' ' ' GLU . 75.2 t80 -58.17 -34.09 69.93 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.683 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -70.99 -33.03 50.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.305 0.574 . . . . 0.0 110.059 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -64.51 -41.05 96.64 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.7 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.702 ' HG3' ' HA ' ' A' ' 50' ' ' TYR . 4.3 mt-10 -46.91 -61.38 1.89 Allowed 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 118.04 -0.981 . . . . 0.0 113.309 -174.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.683 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.5 p -97.63 -37.69 6.99 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 CA-C-N 121.251 1.841 . . . . 0.0 110.221 -2.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -85.67 -36.51 20.22 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.933 -0.479 . . . . 0.0 110.693 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 t -127.7 119.66 26.3 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.581 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -60.29 106.34 0.52 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.022 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.4 ttt -118.2 -46.24 2.62 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-O 122.107 0.956 . . . . 0.0 110.538 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 43.1 ttm180 -130.59 91.27 38.19 Favored Pre-proline 0 N--CA 1.453 -0.307 0 O-C-N 121.778 -0.576 . . . . 0.0 109.764 173.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.453 ' HD2' ' HA ' ' A' ' 59' ' ' ARG . 19.2 Cg_endo -61.07 165.45 12.35 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.244 2.629 . . . . 0.0 112.328 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.2 tp -72.33 -24.05 61.24 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.313 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.2 m -52.06 -56.72 12.6 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.406 HD23 ' HG2' ' A' ' 60' ' ' PRO . 2.1 pt? -87.93 -4.19 58.85 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.473 0.654 . . . . 0.0 110.836 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 64' ' ' ARG . 18.9 ttt180 -82.43 -28.31 31.4 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.713 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.558 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 8.6 tp-100 -94.48 113.36 25.2 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 174.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -90.94 -52.56 4.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.929 -168.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 25.2 ptm -84.99 -16.11 41.94 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.257 -172.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.558 ' HB3' ' CG ' ' A' ' 65' ' ' GLN . 25.5 t70 -108.4 116.89 32.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.393 0.616 . . . . 0.0 110.302 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -171.34 167.17 6.94 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 122.933 0.493 . . . . 0.0 109.779 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.8 34.81 0.45 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.372 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -118.42 4.94 11.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.494 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.188 -1.34 . . . . 0.0 111.114 179.409 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.955 0.407 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.419 ' HB ' ' OE2' ' A' ' 27' ' ' GLU . 13.0 t -61.35 143.61 55.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.382 175.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 t -102.69 139.42 38.3 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 -177.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -69.01 -22.84 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -104.01 102.47 12.24 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -84.4 85.55 7.38 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 121.255 0.55 . . . . 0.0 110.11 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.6 69.73 1.11 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.617 ' HB2' HD11 ' A' ' 43' ' ' LEU . 5.7 p-10 -177.32 -39.18 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.036 -173.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.576 ' O ' HG23 ' A' ' 10' ' ' ILE . 32.7 t70 74.73 119.79 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 114.256 -1.338 . . . . 0.0 112.22 171.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 9' ' ' ASP . 8.2 tp 68.16 85.43 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.427 1.491 . . . . 0.0 112.293 167.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -92.46 153.36 19.16 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.093 -1.867 . . . . 0.0 110.643 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -128.4 179.95 5.36 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.704 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -149.07 155.18 40.36 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.849 ' HB ' ' HA3' ' A' ' 39' ' ' GLY . 41.7 t -99.68 123.54 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.202 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -117.24 163.31 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-O 121.056 0.455 . . . . 0.0 109.924 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 p -129.08 144.34 38.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.495 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -91.76 -178.23 4.99 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 176.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -77.89 -4.2 45.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.154 0.502 . . . . 0.0 110.925 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HB2' ' HG3' ' A' ' 21' ' ' GLN . 14.6 mp0 -104.85 8.51 34.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.027 0.441 . . . . 0.0 110.072 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 70.01 22.38 5.78 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 122.341 1.067 . . . . 0.0 109.635 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.479 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 23.5 mt-30 -78.08 127.34 32.17 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.369 171.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -103.31 144.41 31.39 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 123.358 0.411 . . . . 0.0 110.953 -176.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 t -151.45 176.1 11.63 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.8 pt -110.94 145.2 17.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.439 0.637 . . . . 0.0 111.434 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -140.54 142.05 27.6 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 115.168 -0.923 . . . . 0.0 108.601 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.663 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 52.1 Cg_exo -52.69 128.84 29.83 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.757 1.638 . . . . 0.0 111.92 176.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.419 ' OE2' ' HB ' ' A' ' 2' ' ' THR . 4.9 tm-20 -64.89 -31.45 72.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.581 0.551 . . . . 0.0 111.481 -174.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.461 ' OH ' ' HE2' ' A' ' 29' ' ' LYS . 19.8 p90 -84.55 -12.51 54.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.602 -175.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.663 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 62.3 mttm -95.09 158.13 15.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 119.58 -0.248 . . . . 0.0 110.441 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -82.04 132.12 35.25 Favored 'General case' 0 N--CA 1.441 -0.895 0 O-C-N 124.109 0.881 . . . . 0.0 110.18 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.6 mt -74.39 137.4 74.82 Favored Pre-proline 0 N--CA 1.451 -0.389 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.201 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.25 146.94 96.84 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 122.579 2.186 . . . . 0.0 112.121 175.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.41 96.47 6.05 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -175.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.48 -23.13 0.43 Allowed Glycine 0 C--N 1.306 -1.118 0 CA-C-N 113.899 -1.5 . . . . 0.0 109.806 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -107.73 146.44 32.11 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -126.45 139.83 52.94 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.78 126.08 28.8 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.8 -15.48 2.06 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.224 0.535 . . . . 0.0 111.858 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.849 ' HA3' ' HB ' ' A' ' 14' ' ' VAL . . . -109.52 -176.75 21.27 Favored Glycine 0 N--CA 1.439 -1.148 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.619 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -80.18 170.55 16.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.744 0.307 . . . . 0.0 110.557 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.418 ' HB3' ' HG3' ' A' ' 27' ' ' GLU . 4.7 m -122.54 149.22 44.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.671 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.15 -149.84 20.03 Favored Glycine 0 C--O 1.222 -0.614 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' A' ' 8' ' ' ASP . 3.7 mm? -65.12 161.23 19.44 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.613 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 88.2 tttt -63.64 -47.38 81.55 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.082 -175.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -61.54 -34.44 75.56 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.879 -179.167 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 35.4 t70 -68.37 -37.47 80.47 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.804 0.811 . . . . 0.0 110.312 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.0 m -70.43 -40.51 73.76 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.128 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 84.3 mt -60.07 -42.31 94.26 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 121.29 0.567 . . . . 0.0 110.788 176.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.4 -40.16 77.68 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.912 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.541 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 68.2 t80 -57.13 -42.64 81.33 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.304 176.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.532 ' HA ' HG22 ' A' ' 54' ' ' VAL . 1.7 mp -60.47 -34.75 59.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-O 121.272 0.558 . . . . 0.0 110.272 -177.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.43 -43.09 99.66 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.5 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.588 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 21.9 mm-40 -45.68 -62.96 1.08 Allowed 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.909 0.755 . . . . 0.0 112.762 -174.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.588 ' C ' ' HB2' ' A' ' 53' ' ' GLU . 2.2 p -92.45 -45.31 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 121.981 2.173 . . . . 0.0 110.507 -1.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 55.3 t90 -87.71 -35.07 18.15 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 122.094 0.949 . . . . 0.0 109.17 173.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -159.72 140.67 12.43 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 114.414 -1.267 . . . . 0.0 109.077 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.61 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 8.9 p-10 -85.65 139.48 31.36 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.116 -0.633 . . . . 0.0 111.141 -173.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.4 ptp -81.22 87.26 6.11 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.983 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 66.78 136.96 0.05 OUTLIER Pre-proline 0 N--CA 1.469 0.491 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.24 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -43.71 93.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.915 3.077 . . . . 0.0 113.953 -169.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.61 ' HG ' ' HB2' ' A' ' 57' ' ' ASP . 2.8 pp -91.06 1.31 57.18 Favored 'General case' 0 N--CA 1.437 -1.078 0 O-C-N 122.177 -0.327 . . . . 0.0 110.736 175.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.3 m -66.95 -17.64 65.01 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 -174.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.627 ' H ' HD21 ' A' ' 63' ' ' LEU . 1.6 pt? -107.18 -16.81 14.32 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.429 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.518 ' HG2' ' HA ' ' A' ' 61' ' ' LEU . 14.1 ptm180 -101.22 -40.35 7.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.285 -177.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 59.75 -179.37 0.09 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-O 122.007 0.908 . . . . 0.0 111.166 -175.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -92.48 -1.32 57.06 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -100.37 36.8 1.8 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.754 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -46.26 -44.41 16.41 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 123.953 0.901 . . . . 0.0 112.364 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -161.51 160.92 29.72 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.203 0.525 . . . . 0.0 111.435 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.26 132.57 45.99 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 118.89 -0.576 . . . . 0.0 109.76 175.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 65.82 19.86 11.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.809 0.693 . . . . 0.0 110.585 -175.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.745 -1.031 . . . . 0.0 112.576 -178.237 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 C--O 1.209 -1.052 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.1 m -72.81 124.57 25.64 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.051 0.453 . . . . 0.0 111.251 -174.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m 65.36 18.31 11.3 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.875 173.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -79.06 -17.5 13.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 CA-C-O 121.964 0.888 . . . . 0.0 109.983 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -72.94 106.39 4.83 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.325 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -119.5 143.66 47.44 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 122.783 0.433 . . . . 0.0 110.571 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -82.47 -64.85 1.09 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.375 0.607 . . . . 0.0 112.088 -173.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -114.44 85.08 2.17 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.708 -173.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 10' ' ' ILE . 7.2 p-10 -95.66 -110.57 0.14 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 167.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.68 HG23 ' HB2' ' A' ' 44' ' ' LYS . 7.1 tp -157.07 110.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 122.064 0.935 . . . . 0.0 109.051 171.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.769 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 88.9 mt-30 -102.36 133.42 47.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.678 -173.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.657 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 97.9 m-85 -122.02 177.17 5.43 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 122.443 1.116 . . . . 0.0 111.661 -174.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -138.91 146.4 41.03 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 113.733 -1.576 . . . . 0.0 106.956 169.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.36 121.23 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.843 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.619 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.416 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 16.4 m -114.76 146.71 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-O 121.256 0.55 . . . . 0.0 110.787 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -118.77 134.59 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-O 121.158 0.504 . . . . 0.0 110.474 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -89.15 168.39 12.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.74 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -71.26 2.06 5.25 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 121.178 0.513 . . . . 0.0 111.623 -175.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -104.73 9.1 35.15 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.455 0.645 . . . . 0.0 109.822 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 59.6 48.97 8.91 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.177 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -116.54 130.06 56.54 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.707 170.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -92.24 147.81 22.64 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.762 0.791 . . . . 0.0 111.781 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.9 m -149.92 170.25 19.26 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.2 pt -120.49 128.99 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.929 0 CA-C-O 121.234 0.54 . . . . 0.0 110.93 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -118.18 132.09 23.9 Favored Pre-proline 0 C--N 1.309 -1.183 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.168 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.39 116.15 2.98 Favored 'Trans proline' 0 C--N 1.334 -0.218 0 C-N-CA 121.913 1.742 . . . . 0.0 112.232 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -51.54 -26.7 9.02 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.468 ' HE2' ' H ' ' A' ' 11' ' ' GLN . 27.8 m-85 -61.1 -39.99 92.04 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.405 0.622 . . . . 0.0 110.873 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -96.19 153.32 17.86 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.525 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -81.8 135.17 35.47 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.25 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 23.9 pt -72.97 155.52 90.41 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 121.217 0.532 . . . . 0.0 111.385 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 4.9 Cg_endo -85.4 159.3 11.05 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 123.202 2.601 . . . . 0.0 111.55 174.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -64.79 130.14 42.41 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.204 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.78 -16.48 8.9 Favored Glycine 0 C--N 1.31 -0.879 0 C-N-CA 120.253 -0.975 . . . . 0.0 111.801 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.416 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 91.4 m95 -107.94 144.99 34.45 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.051 0.453 . . . . 0.0 110.034 175.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -118.03 133.8 55.57 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 116.334 -0.394 . . . . 0.0 109.978 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.25 124.77 28.3 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -173.57 102.61 0.12 Allowed 'General case' 0 C--O 1.242 0.677 0 CA-C-O 121.135 0.493 . . . . 0.0 111.425 -170.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.58 -89.09 0.14 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.273 -0.965 . . . . 0.0 113.367 174.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -136.86 132.18 34.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.095 0.474 . . . . 0.0 110.296 -175.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 m -118.84 117.96 30.27 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.932 175.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.34 -150.49 10.17 Favored Glycine 0 CA--C 1.501 -0.786 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.769 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -92.88 176.58 6.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.763 0.782 . . . . 0.0 111.566 178.494 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.68 ' HB2' HG23 ' A' ' 10' ' ' ILE . 64.8 tttp -46.54 -51.34 15.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.872 0.869 . . . . 0.0 113.267 -174.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.518 ' C ' ' HD2' ' A' ' 45' ' ' LYS . 1.1 tmmt? -62.76 -47.09 85.05 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.26 -0.176 . . . . 0.0 111.303 -174.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -70.0 -32.79 71.14 Favored 'General case' 0 CA--C 1.508 -0.671 0 O-C-N 123.571 0.545 . . . . 0.0 110.773 -175.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 51.8 m -66.05 -53.35 39.48 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.921 0.867 . . . . 0.0 110.146 176.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.6 tp -55.57 -49.55 72.44 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.256 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.676 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -52.14 -41.22 62.35 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 123.957 0.786 . . . . 0.0 111.386 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 76.2 t80 -59.67 -47.7 84.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.401 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.526 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.9 mp -68.8 -38.21 78.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 O-C-N 121.44 -0.788 . . . . 0.0 111.633 -171.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.71 -36.96 85.59 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.443 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.676 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 52.4 mm-40 -50.04 -62.98 1.26 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.526 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.7 p -94.61 -41.84 12.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-N 121.436 1.926 . . . . 0.0 110.786 -2.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -107.56 56.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.717 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.2 p -88.22 -159.81 0.58 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.441 172.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -145.65 89.36 1.91 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.0 tpp -168.33 118.11 0.76 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.512 -177.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.483 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 10.6 mpt_? -92.13 -56.8 0.24 Allowed Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.483 ' HD3' ' HB2' ' A' ' 59' ' ' ARG . 90.4 Cg_endo -78.64 53.51 4.64 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 122.979 2.453 . . . . 0.0 112.452 -178.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 61' ' ' LEU . 3.1 pp -79.22 6.46 9.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.39 0.614 . . . . 0.0 111.463 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.2 p -67.35 -11.31 57.35 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.189 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -70.69 -7.77 47.07 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.997 0.427 . . . . 0.0 109.965 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -74.34 -21.83 59.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.406 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -83.34 160.02 21.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.256 0.55 . . . . 0.0 111.889 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -87.6 -9.57 53.92 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.409 176.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 50.3 tpp -69.31 -29.04 66.8 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.681 175.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -80.88 178.66 8.26 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.236 -178.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -67.99 113.44 5.69 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.824 0.345 . . . . 0.0 111.401 -175.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.81 144.33 48.93 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.61 0.719 . . . . 0.0 109.997 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.41 111.06 19.59 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.54 176.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.868 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -178.449 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptp . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.3 m -133.32 109.68 9.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.227 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 m -137.39 105.15 5.58 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.545 -177.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.4 t -87.77 -42.5 15.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 170.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -138.84 105.18 5.27 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.189 -1.369 . . . . 0.0 108.299 170.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.467 ' HB3' ' OD2' ' A' ' 8' ' ' ASP . 7.6 t70 -81.48 -179.54 7.42 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.749 -172.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.424 ' HD3' ' N ' ' A' ' 7' ' ' ARG . 1.5 mpp_? -80.99 5.2 17.07 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.233 0.539 . . . . 0.0 111.232 -172.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.467 ' OD2' ' HB3' ' A' ' 6' ' ' ASP . 4.3 p30 -76.37 -17.58 59.31 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 171.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.8 121.43 35.24 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.964 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 10' ' ' ILE . 6.8 tp -142.57 102.76 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.073 0 CA-C-O 121.864 0.84 . . . . 0.0 111.406 -178.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.8 137.29 42.03 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.588 0.709 . . . . 0.0 110.344 -178.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -121.57 172.86 7.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.354 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.484 ' NE2' ' HA ' ' A' ' 27' ' ' GLU . 28.3 pt20 -145.19 152.78 40.55 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.077 -0.965 . . . . 0.0 108.683 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.75 129.68 44.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.871 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.9 m -114.49 141.57 30.42 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 C-N-CA 119.963 -0.695 . . . . 0.0 110.028 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 13.9 p -121.67 138.26 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.549 -177.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.458 ' HB3' ' HB3' ' A' ' 21' ' ' GLN . 61.9 t30 -90.87 164.34 14.08 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 175.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -73.93 16.05 0.25 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.145 0.498 . . . . 0.0 111.227 -176.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' A' ' 17' ' ' ASN . 33.8 mt-10 -102.56 5.11 39.14 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 170.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 63.78 41.89 6.56 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -171.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 7.6 tp-100 -94.06 120.14 33.9 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.004 -177.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -95.59 128.54 42.54 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.846 0.355 . . . . 0.0 111.741 -175.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -148.16 170.27 18.2 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 pt -119.03 149.48 21.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 O-C-N 121.993 -0.442 . . . . 0.0 110.434 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.432 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 68.1 t-105 -147.27 138.74 13.39 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.97 132.71 53.89 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.744 2.296 . . . . 0.0 112.09 175.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 44.4 tt0 -71.28 -25.82 62.61 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.791 0.329 . . . . 0.0 111.295 -175.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -64.91 -27.61 68.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.418 0.627 . . . . 0.0 110.817 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -96.2 147.86 23.31 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.478 -175.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -68.51 143.39 54.98 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.2 mt -69.4 129.88 91.3 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -56.45 148.14 64.51 Favored 'Trans proline' 0 C--O 1.243 0.763 0 C-N-CA 122.801 2.334 . . . . 0.0 113.176 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -64.93 121.13 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.371 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.5 -20.79 7.33 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.797 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -105.51 155.1 19.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.039 0.447 . . . . 0.0 110.099 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.509 ' HA ' ' HE ' ' A' ' 36' ' ' ARG . 2.3 tpm_? -125.02 144.13 50.55 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.99 131.04 44.74 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 121.109 0.481 . . . . 0.0 110.9 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.01 112.14 23.37 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.85 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.53 87.93 0.01 OUTLIER Glycine 0 N--CA 1.471 0.972 0 O-C-N 124.709 1.256 . . . . 0.0 115.822 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.75 ' HG2' ' HB2' ' A' ' 50' ' ' TYR . 46.9 tptt -170.85 98.07 0.22 Allowed 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 171.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 p -130.81 149.81 52.27 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 123.541 0.526 . . . . 0.0 110.518 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.07 -143.7 10.23 Favored Glycine 0 C--N 1.308 -0.999 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' HB2' ' HE3' ' A' ' 45' ' ' LYS . 4.1 mm? -68.2 153.07 44.48 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.105 176.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.571 ' HZ1' HD12 ' A' ' 48' ' ' LEU . 53.4 tttm -51.69 -40.87 60.88 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.192 0.597 . . . . 0.0 110.727 -176.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.64 -32.4 71.57 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -179.363 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.425 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 38.3 t70 -69.57 -37.59 77.05 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.257 0.551 . . . . 0.0 110.477 -177.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.8 m -71.64 -37.42 70.84 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-O 121.322 0.582 . . . . 0.0 109.875 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.571 HD12 ' HZ1' ' A' ' 44' ' ' LYS . 78.9 mt -61.98 -42.98 99.74 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.946 176.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.437 ' HA ' ' OE2' ' A' ' 52' ' ' GLU . . . -57.04 -40.72 77.33 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.225 177.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.75 ' HB2' ' HG2' ' A' ' 40' ' ' LYS . 89.9 t80 -53.7 -49.47 67.98 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 123.673 0.608 . . . . 0.0 111.478 176.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.547 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.8 mp -61.08 -35.08 63.03 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 121.312 0.577 . . . . 0.0 110.417 -179.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' OE2' ' HA ' ' A' ' 49' ' ' ALA . 49.4 mt-10 -59.29 -44.5 92.49 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.671 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.497 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 23.6 mm-40 -45.52 -62.76 1.15 Allowed 'General case' 0 N--CA 1.475 0.784 0 O-C-N 124.703 1.252 . . . . 0.0 113.546 -174.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.547 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.6 p -93.43 -38.37 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 121.445 1.929 . . . . 0.0 109.921 -3.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -106.85 42.8 1.23 Allowed 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 174.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.6 p 60.0 78.05 0.29 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-N 114.7 -1.136 . . . . 0.0 111.072 -176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -103.44 146.55 28.34 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.009 -177.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.8 ttt -103.61 -6.52 21.57 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.645 -169.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -66.55 146.06 99.02 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -61.02 83.49 0.08 OUTLIER 'Trans proline' 0 C--O 1.245 0.868 0 C-N-CA 123.493 2.795 . . . . 0.0 113.388 -170.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 pp -90.99 -19.15 23.54 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.875 0.369 . . . . 0.0 111.079 170.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.13 -30.65 60.86 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.121 -174.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 pp -85.33 -3.83 58.96 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.054 175.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -95.66 -51.07 4.67 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.761 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 60.72 -167.26 0.19 Allowed 'General case' 0 C--O 1.247 0.96 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.775 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -96.64 -53.77 3.45 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.706 0.765 . . . . 0.0 108.99 173.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 22.5 ttt -72.82 -35.04 67.21 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.379 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t70 71.3 168.03 0.31 Allowed 'General case' 0 N--CA 1.473 0.717 0 O-C-N 124.172 0.92 . . . . 0.0 109.342 -174.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.85 -11.45 59.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.514 0.673 . . . . 0.0 110.611 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 66.09 29.03 10.14 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.775 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.25 106.96 4.01 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.799 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.797 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.647 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.587 ' N ' ' HH ' ' A' ' 28' ' ' TYR . 94.4 mt-30 . . . . . 0 C--O 1.236 0.394 0 CA-C-O 122.123 0.964 . . . . 0.0 111.49 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -130.36 178.51 6.53 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 113.812 -1.54 . . . . 0.0 108.589 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -145.47 159.26 43.36 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.019 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.482 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 82.8 t -96.33 127.77 48.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.0 m -116.21 145.42 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-O 121.207 0.527 . . . . 0.0 111.186 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.0 p -120.4 133.96 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-O 121.506 0.67 . . . . 0.0 110.451 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.644 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 44.3 t30 -89.7 170.16 10.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.793 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -69.11 -4.02 15.65 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 121.08 0.466 . . . . 0.0 111.514 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.32 9.85 41.18 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 171.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 53.59 39.13 29.69 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 124.036 0.934 . . . . 0.0 112.431 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.644 ' HG2' ' HB3' ' A' ' 17' ' ' ASN . 20.9 pt20 -96.99 148.04 23.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.005 174.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.426 ' CE2' HG11 ' A' ' 54' ' ' VAL . 50.2 m-85 -108.75 122.79 47.89 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.49 0.662 . . . . 0.0 110.548 -173.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -131.84 173.76 10.84 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -177.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.6 pt -113.21 151.35 15.1 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 CA-C-O 121.041 0.448 . . . . 0.0 110.242 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 64.2 t-105 -147.82 136.47 11.42 Favored Pre-proline 0 N--CA 1.446 -0.639 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 33.1 Cg_exo -63.58 140.24 74.25 Favored 'Trans proline' 0 N--CA 1.479 0.662 0 C-N-CA 122.163 1.909 . . . . 0.0 112.501 178.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -61.66 -25.69 67.54 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.72 0.772 . . . . 0.0 111.842 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.587 ' HH ' ' N ' ' A' ' 11' ' ' GLN . 6.6 m-85 -87.94 -4.19 58.85 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.316 -172.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -111.38 146.11 37.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.43 0.633 . . . . 0.0 110.306 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.19 138.17 45.5 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.969 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.3 mt -76.33 136.24 68.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -58.97 140.75 96.74 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 121.95 1.767 . . . . 0.0 110.813 174.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -63.63 122.26 15.93 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.969 0.793 . . . . 0.0 110.795 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.47 -13.32 7.38 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.531 -176.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -117.49 162.64 17.65 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -142.12 161.8 37.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.92 141.52 34.45 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.204 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.482 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -149.92 164.38 35.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.505 -178.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.1 -125.16 9.46 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.193 -1.003 . . . . 0.0 112.465 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -127.36 145.73 50.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.526 -0.337 . . . . 0.0 111.007 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 m -103.26 147.36 27.15 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.81 -145.18 10.16 Favored Glycine 0 C--O 1.217 -0.958 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.55 -176.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.437 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 3.2 mm? -74.06 168.6 19.2 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 117.133 0.466 . . . . 0.0 110.22 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.624 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 28.9 ttpp -62.35 -41.64 98.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.089 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.24 -31.98 70.71 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 123.606 0.566 . . . . 0.0 112.004 177.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.433 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 24.1 m-20 -67.58 -37.82 83.17 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.45 0.643 . . . . 0.0 110.49 176.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.415 ' O ' HD13 ' A' ' 51' ' ' ILE . 63.0 m -72.75 -41.62 64.91 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.568 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 69.1 mt -59.66 -51.2 70.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.893 0.378 . . . . 0.0 110.503 178.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -57.18 -45.77 83.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.679 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.569 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 87.4 t80 -57.92 -51.53 69.24 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 123.954 0.784 . . . . 0.0 112.386 -178.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.7 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.7 mp -61.51 -33.88 59.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 CA-C-O 121.023 0.439 . . . . 0.0 110.707 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.77 -43.61 94.25 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.209 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.668 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 4.3 mm-40 -49.18 -61.07 2.28 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -174.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.7 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.8 p . . . . . 0 C--N 1.348 0.521 0 O-C-N 119.153 -2.217 . . . . 0.0 108.236 -5.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.588 ' N ' ' HH ' ' A' ' 28' ' ' TYR . 2.3 mp0 . . . . . 0 CA--C 1.516 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -124.87 177.22 6.13 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.73 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -149.04 153.48 37.92 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.528 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 47.7 t -92.06 129.21 43.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 16.6 m -114.18 138.69 43.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.325 0.583 . . . . 0.0 110.569 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' A' ' 20' ' ' GLU . 8.0 p -117.41 130.81 71.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.728 0.775 . . . . 0.0 109.572 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -79.77 170.42 16.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.307 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -68.78 -1.61 7.49 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.874 0.845 . . . . 0.0 110.885 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -111.02 16.3 21.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.138 174.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 12.7 pt-20 49.58 49.1 20.53 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 122.918 1.342 . . . . 0.0 110.85 -177.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 3.1 tp-100 -92.85 128.68 38.8 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.157 172.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -96.76 136.92 36.62 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.007 0.432 . . . . 0.0 111.834 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -154.3 173.2 16.49 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.196 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 pt -112.3 144.68 19.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -143.75 135.99 13.27 Favored Pre-proline 0 C--N 1.316 -0.89 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -59.53 127.37 23.52 Favored 'Trans proline' 0 CA--C 1.516 -0.378 0 C-N-CA 122.023 1.815 . . . . 0.0 111.506 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' A' ' 11' ' ' GLN . 5.6 pt-20 -70.75 -14.93 62.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.057 0.456 . . . . 0.0 111.468 -172.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.588 ' HH ' ' N ' ' A' ' 11' ' ' GLN . 24.6 m-85 -65.65 -32.75 74.49 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.718 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -103.0 157.31 17.07 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.829 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -75.71 150.91 37.75 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.893 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.432 HD11 ' HB2' ' A' ' 37' ' ' ALA . 42.1 mt -77.69 135.7 63.97 Favored Pre-proline 0 C--N 1.322 -0.617 0 C-N-CA 123.235 0.614 . . . . 0.0 110.38 -176.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -57.17 143.6 92.82 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 122.257 1.971 . . . . 0.0 111.202 172.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -68.05 122.02 17.35 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.24 -20.33 5.61 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -173.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.429 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 36.3 m95 -118.09 159.81 22.59 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 124.604 0.826 . . . . 0.0 109.004 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -136.24 152.15 50.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.994 0.184 . . . . 0.0 110.523 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.432 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -73.13 134.07 44.34 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.67 0.272 . . . . 0.0 110.747 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.528 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -153.85 167.37 29.9 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -177.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.68 -105.04 1.64 Allowed Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 114.944 0.738 . . . . 0.0 114.944 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.413 ' HD2' ' O ' ' A' ' 46' ' ' ASP . 63.4 mttm -128.62 141.23 51.42 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.075 0.464 . . . . 0.0 111.129 -175.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 t -123.6 117.0 24.03 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 173.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' A' ' 11' ' ' GLN . . . 172.45 -130.02 1.83 Allowed Glycine 0 CA--C 1.494 -1.28 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.973 -173.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.453 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 4.0 mm? -75.41 156.65 35.14 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.745 0.273 . . . . 0.0 110.852 178.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.623 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 27.7 ttpp -59.91 -41.28 91.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.049 0.452 . . . . 0.0 110.942 -178.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.453 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -63.31 -30.65 71.75 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.616 -179.135 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.413 ' O ' ' HD2' ' A' ' 40' ' ' LYS . 20.9 m-20 -72.48 -35.54 68.23 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.346 1.029 . . . . 0.0 110.529 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.7 m -73.26 -44.78 58.72 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.889 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 66.2 mt -55.98 -44.06 78.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.403 0.62 . . . . 0.0 110.343 176.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.16 -48.7 67.77 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.379 177.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.544 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 92.3 t80 -54.67 -46.27 74.03 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.426 -177.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.687 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 2.0 mp -64.36 -34.89 72.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.495 -176.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.1 -42.09 99.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.08 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 16.2 mm-40 -46.49 -60.96 2.03 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -172.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.687 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.9 p . . . . . 0 C--N 1.348 0.521 0 CA-C-N 120.703 1.592 . . . . 0.0 111.456 -3.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 . . . . . 0 N--CA 1.448 -0.557 0 CA-C-O 120.58 0.229 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.473 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 97.0 m-85 -135.35 -179.95 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.712 0.768 . . . . 0.0 110.45 -177.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 25.1 pt20 -150.81 160.51 43.82 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.162 -0.926 . . . . 0.0 108.526 176.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.602 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 61.2 t -90.17 125.19 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.081 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.9 m -125.24 157.76 33.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.491 HG13 ' HD3' ' A' ' 36' ' ' ARG . 3.9 p -136.93 136.56 47.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.442 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -98.58 -168.06 1.59 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.674 -173.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -65.79 -29.32 69.8 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.385 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -81.82 9.19 8.46 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.445 0.64 . . . . 0.0 111.031 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 59.75 27.04 16.26 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.372 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 59.8 tt0 -84.74 132.12 34.48 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.908 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -86.29 123.08 31.15 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.5 m -142.4 177.0 8.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.082 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.1 pt -116.57 144.91 23.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.519 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 75.0 t-105 -138.14 132.87 17.09 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.754 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 9.0 Cg_endo -51.83 138.35 51.09 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.305 2.004 . . . . 0.0 112.982 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.42 -37.83 80.67 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.905 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -71.17 -19.14 62.45 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.398 -176.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.754 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 97.1 mttt -89.82 153.29 20.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.25 0.548 . . . . 0.0 110.18 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -78.01 135.94 37.86 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.581 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -66.1 126.69 92.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.528 ' HB2' ' CD1' ' A' ' 35' ' ' TRP . 65.0 Cg_exo -54.32 153.14 23.21 Favored 'Trans proline' 0 C--O 1.242 0.692 0 C-N-CA 122.603 2.202 . . . . 0.0 111.938 177.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -76.87 123.24 25.96 Favored 'General case' 0 N--CA 1.435 -1.198 0 O-C-N 121.752 -0.593 . . . . 0.0 109.827 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.59 -17.58 15.9 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -173.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.528 ' CD1' ' HB2' ' A' ' 32' ' ' PRO . 30.5 m95 -108.23 155.48 20.42 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.491 ' HD3' HG13 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -144.9 156.5 44.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 172.694 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.83 138.38 36.22 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 123.903 0.752 . . . . 0.0 111.068 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.602 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -133.59 143.79 48.89 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 122.818 0.447 . . . . 0.0 110.077 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.5 -97.82 2.05 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.015 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -167.84 175.09 7.06 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.171 0.51 . . . . 0.0 111.177 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.6 t -113.37 157.04 22.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.882 -176.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.17 -148.71 15.04 Favored Glycine 0 C--O 1.224 -0.498 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.73 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 43' ' ' LEU . 3.7 mm? -75.28 161.92 28.89 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 122.406 -0.467 . . . . 0.0 111.024 176.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.523 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 1.7 ttmp? -54.87 -48.59 72.75 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.451 0.469 . . . . 0.0 111.719 -174.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -59.23 -29.27 67.39 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 123.519 0.512 . . . . 0.0 111.704 -176.531 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.5 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 23.5 t70 -73.74 -36.97 65.22 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-O 121.553 0.692 . . . . 0.0 110.478 179.021 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.8 m -70.39 -50.38 39.28 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.326 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 63.4 mt -55.99 -45.83 78.9 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 122.015 0.912 . . . . 0.0 110.85 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.63 -42.0 67.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.227 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -55.49 -47.89 75.44 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 123.901 0.75 . . . . 0.0 112.138 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.598 ' HA ' HG23 ' A' ' 54' ' ' VAL . 3.4 mp -68.94 -34.99 67.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 120.561 0.219 . . . . 0.0 111.097 -175.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.7 -43.47 97.76 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.207 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 30.0 mm-40 -44.95 -62.62 1.16 Allowed 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 118.052 -0.975 . . . . 0.0 113.6 -174.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.598 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.0 p . . . . . 0 CA--C 1.537 0.463 0 CA-C-N 121.718 2.054 . . . . 0.0 111.126 -2.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 . . . . . 0 CA--C 1.537 0.452 0 CA-C-O 121.169 0.509 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -123.85 167.17 14.43 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.431 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -144.28 161.91 37.73 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.471 ' HB ' ' HB3' ' A' ' 38' ' ' ALA . 23.3 t -98.91 127.34 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.207 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 m -115.89 148.44 18.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.419 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 p -141.56 148.09 21.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.327 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.518 ' C ' ' H ' ' A' ' 19' ' ' GLU . 55.8 t30 -104.58 162.88 12.89 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -69.68 24.06 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' A' ' 17' ' ' ASN . 7.8 tp10 -112.2 -2.22 14.99 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 173.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 31.7 tt0 65.33 29.99 11.29 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.963 -177.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -96.65 111.56 23.66 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -86.44 139.7 30.66 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 121.172 0.51 . . . . 0.0 110.667 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t -141.35 168.5 19.62 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.418 HG22 ' SG ' ' A' ' 47' ' ' CYS . 36.8 pt -108.51 143.55 18.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.436 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 35.2 t-105 -150.21 141.17 14.6 Favored Pre-proline 0 C--N 1.32 -0.678 0 O-C-N 123.568 0.542 . . . . 0.0 109.705 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 31.9 Cg_exo -59.79 143.73 99.57 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.774 2.316 . . . . 0.0 111.077 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -70.74 -43.31 69.11 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.417 0.627 . . . . 0.0 110.934 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -75.01 -12.3 60.3 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 121.742 0.782 . . . . 0.0 110.894 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -92.92 136.65 33.06 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.306 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -72.5 139.47 47.64 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 121.335 -0.853 . . . . 0.0 110.367 -176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.92 141.03 97.41 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.988 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HB2' ' CD1' ' A' ' 35' ' ' TRP . 31.3 Cg_exo -57.89 141.57 96.01 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 121.922 1.748 . . . . 0.0 110.742 175.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -61.53 102.56 0.25 Allowed 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.953 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.14 -18.22 4.48 Favored Glycine 0 C--N 1.318 -0.458 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.964 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.439 ' CD1' ' HB2' ' A' ' 32' ' ' PRO . 52.9 m95 -97.17 161.38 13.84 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -131.62 151.24 51.77 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.62 128.32 35.19 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.663 0.602 . . . . 0.0 110.875 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . . . -76.42 -20.43 57.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.44 -178.08 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.26 -77.53 0.39 Allowed Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.961 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -59.78 112.62 1.9 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.568 0.699 . . . . 0.0 111.37 -175.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -124.28 132.0 53.55 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.629 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.97 -139.88 2.99 Favored Glycine 0 C--O 1.213 -1.169 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -177.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.656 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 4.2 mm? -79.51 177.18 9.06 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.388 177.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.62 ' HE2' HD21 ' A' ' 48' ' ' LEU . 23.5 tptm -57.86 -47.22 83.36 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.69 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.656 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.55 -30.77 69.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.805 -178.198 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.473 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 34.0 m-20 -69.52 -41.28 76.21 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.684 0.615 . . . . 0.0 110.027 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.592 ' O ' HG12 ' A' ' 51' ' ' ILE . 50.0 t -67.18 -45.58 76.53 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 123.882 0.739 . . . . 0.0 109.814 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.62 HD21 ' HE2' ' A' ' 44' ' ' LYS . 78.2 mt -56.91 -45.59 82.55 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.145 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -57.68 -47.21 82.97 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.948 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -58.32 -43.88 88.39 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.559 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.594 ' HA ' HG23 ' A' ' 54' ' ' VAL . 14.8 mm -69.88 -34.74 61.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.644 0.735 . . . . 0.0 111.138 -174.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.79 -40.33 92.2 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.452 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.507 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 8.5 mm-40 -46.98 -61.29 1.94 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -175.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.594 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.5 p . . . . . 0 C--N 1.345 0.392 0 C-N-CA 125.793 1.637 . . . . 0.0 110.855 -2.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 . . . . . 0 N--CA 1.448 -0.561 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -125.66 177.01 6.49 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.774 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 20.5 pt20 -139.65 142.79 36.98 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 174.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.5 HG11 ' CE2' ' A' ' 50' ' ' TYR . 58.1 t -86.55 123.74 39.92 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.83 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 -179.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 m -116.34 154.08 17.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-O 121.515 0.674 . . . . 0.0 109.313 -178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 12.5 p -122.59 137.22 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-O 121.306 0.574 . . . . 0.0 110.584 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -77.97 156.54 30.14 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -64.53 -8.38 13.69 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.447 0.641 . . . . 0.0 111.161 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -106.66 17.28 23.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.872 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 67.78 57.29 0.53 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.074 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.529 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 45.1 tp60 -120.46 127.22 52.02 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -102.62 137.4 40.89 Favored 'General case' 0 C--N 1.311 -1.09 0 O-C-N 122.115 -0.366 . . . . 0.0 110.213 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.3 t -154.24 -177.14 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.574 HD13 ' SG ' ' A' ' 47' ' ' CYS . 28.7 pt -126.31 143.19 40.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-O 121.276 0.56 . . . . 0.0 111.058 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.447 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 52.9 t-105 -134.23 138.51 30.54 Favored Pre-proline 0 N--CA 1.441 -0.897 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 25' ' ' TRP . 1.5 Cg_endo -44.46 124.63 5.41 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.876 2.384 . . . . 0.0 111.375 176.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.31 -39.78 88.2 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 124.113 0.883 . . . . 0.0 111.113 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.64 0.68 45.86 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 123.487 0.492 . . . . 0.0 111.227 -178.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -102.22 147.03 27.14 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.62 134.87 42.02 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 59.6 mt -70.91 132.26 86.87 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.25 177.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 20.5 Cg_exo -67.71 155.46 69.93 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.537 2.158 . . . . 0.0 111.583 175.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -65.79 141.83 58.17 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.284 0.564 . . . . 0.0 110.467 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.63 -26.73 12.35 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -112.19 160.47 17.56 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -141.98 157.7 44.63 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.963 0.411 . . . . 0.0 110.139 175.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.58 136.47 38.27 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.569 -175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.01 -139.65 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.201 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.71 36.09 2.35 Favored Glycine 0 C--N 1.311 -0.825 0 C-N-CA 120.292 -0.956 . . . . 0.0 113.413 -176.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.532 ' HE3' ' HB3' ' A' ' 46' ' ' ASP . 0.8 OUTLIER -156.97 113.18 2.97 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 121.133 0.492 . . . . 0.0 109.786 178.76 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 t -111.45 147.32 35.52 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.682 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.22 174.42 36.34 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.233 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.521 HD23 ' OD2' ' A' ' 46' ' ' ASP . 2.6 pt? -78.86 -178.96 6.3 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.515 -177.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.71 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 17.7 ptpt -52.65 -36.12 56.18 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -174.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -56.05 -49.12 74.63 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.249 0.547 . . . . 0.0 110.317 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.532 ' HB3' ' HE3' ' A' ' 40' ' ' LYS . 55.2 m-20 -61.26 -33.17 73.09 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.182 177.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.574 ' SG ' HD13 ' A' ' 24' ' ' ILE . 1.1 t -71.05 -53.64 14.0 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 122.962 0.505 . . . . 0.0 109.982 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 33.1 mt -51.32 -51.38 54.88 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 124.295 0.997 . . . . 0.0 110.617 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.2 -51.49 67.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.69 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.505 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 61.7 t80 -53.81 -53.08 57.43 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.284 0.99 . . . . 0.0 112.67 -176.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.616 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -60.26 -35.9 65.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.55 -41.64 92.78 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.552 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 5.4 mm-40 -47.04 -59.48 3.1 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -175.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.616 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.1 p . . . . . 0 N--CA 1.473 0.716 0 CA-C-N 120.81 1.641 . . . . 0.0 110.428 -3.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.536 ' HG2' HD13 ' A' ' 43' ' ' LEU . 44.3 mt-30 . . . . . 0 CA--C 1.519 -0.217 0 CA-C-O 121.762 0.791 . . . . 0.0 111.71 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -128.8 177.46 7.06 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.186 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 17.5 pt20 -139.43 164.16 30.59 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 175.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 61.9 t -105.26 126.47 60.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.532 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 27.4 m -115.7 143.82 24.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 p -123.1 140.28 47.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.193 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -93.75 168.15 11.19 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -69.38 -0.34 6.22 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 121.859 -0.525 . . . . 0.0 110.494 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.31 7.04 42.85 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.187 0.518 . . . . 0.0 110.352 173.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 59.72 35.26 22.21 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 123.303 0.641 . . . . 0.0 111.355 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -116.89 143.64 45.46 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.781 173.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -103.61 154.3 19.66 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.223 -173.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.1 t -154.37 174.15 15.24 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.7 pt -108.98 147.86 13.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.43 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 66.6 t-105 -144.87 131.56 9.98 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.489 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 35.9 Cg_exo -59.94 132.81 46.88 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.398 2.065 . . . . 0.0 111.546 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -10.5 59.34 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.144 0.497 . . . . 0.0 111.588 -173.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.529 ' HH ' ' N ' ' A' ' 11' ' ' GLN . 48.2 m-85 -77.6 -27.3 51.24 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.813 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.8 148.48 23.35 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.648 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.49 149.25 46.0 Favored 'General case' 0 N--CA 1.436 -1.155 0 O-C-N 121.422 -0.799 . . . . 0.0 108.969 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.417 HD11 ' HB2' ' A' ' 37' ' ' ALA . 21.9 mt -66.28 132.98 94.46 Favored Pre-proline 0 C--N 1.33 -0.263 0 O-C-N 123.59 0.556 . . . . 0.0 109.64 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.521 ' HG2' ' HD1' ' A' ' 35' ' ' TRP . 60.2 Cg_endo -72.41 31.28 0.28 Allowed 'Trans proline' 0 N--CA 1.478 0.568 0 C-N-CA 122.884 2.389 . . . . 0.0 114.479 -173.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' O ' ' A' ' 32' ' ' PRO . 56.0 tt0 76.42 -53.12 0.6 Allowed 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 170.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.38 -33.42 87.2 Favored Glycine 0 C--O 1.221 -0.701 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.395 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.532 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 63.8 m95 -96.2 163.98 12.86 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.599 ' HA ' ' HE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -129.95 147.52 51.72 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.646 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.417 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -70.25 130.43 42.01 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.274 0.559 . . . . 0.0 109.875 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -142.52 156.68 45.16 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.697 0.76 . . . . 0.0 110.769 -178.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.49 -102.27 1.37 Allowed Glycine 0 N--CA 1.434 -1.452 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.7 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -158.96 153.1 23.67 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 121.168 0.508 . . . . 0.0 111.148 -173.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 m -105.33 152.0 23.46 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.48 174.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.32 -157.96 30.64 Favored Glycine 0 C--O 1.217 -0.921 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.614 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.536 HD13 ' HG2' ' A' ' 11' ' ' GLN . 3.6 mm? -77.66 172.45 13.38 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 120.268 0.08 . . . . 0.0 110.966 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 4.5 tppp? -51.54 -54.57 26.06 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.56 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -60.95 -32.53 72.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.906 -0.134 . . . . 0.0 110.89 -175.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.56 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 16.7 t70 -69.15 -41.24 77.56 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 122.011 0.91 . . . . 0.0 110.572 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.586 ' O ' HG12 ' A' ' 51' ' ' ILE . 42.0 t -68.05 -49.59 60.45 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.891 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 43.2 mt -56.87 -40.7 76.64 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.987 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.33 -44.95 88.92 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.981 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 88.2 t80 -65.02 -39.51 93.51 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 121.798 -0.564 . . . . 0.0 111.339 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.602 ' HA ' HG23 ' A' ' 54' ' ' VAL . 18.6 mm -67.59 -34.89 70.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -175.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.21 -39.09 78.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.532 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.561 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 10.4 mm-40 -49.03 -62.38 1.56 Allowed 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -175.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.602 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.5 p . . . . . 0 C--N 1.351 0.632 0 CA-C-N 121.948 2.158 . . . . 0.0 108.689 -3.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.93 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 77.0 mt-30 . . . . . 0 CA--C 1.514 -0.41 0 CA-C-O 120.504 0.192 . . . . 0.0 110.796 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.567 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 85.5 m-85 -133.26 -179.4 5.48 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.86 0.838 . . . . 0.0 110.453 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 20.7 pt20 -140.98 146.96 37.99 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.038 -1.437 . . . . 0.0 107.242 170.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.544 HG11 ' CE1' ' A' ' 50' ' ' TYR . 39.9 t -89.14 122.62 40.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.8 m -114.94 149.0 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-O 120.721 0.296 . . . . 0.0 111.161 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.82 138.48 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.663 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 48.0 t30 -97.28 175.47 6.26 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -71.29 -2.52 16.51 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.542 0.526 . . . . 0.0 112.153 -171.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.613 ' HB3' HE22 ' A' ' 21' ' ' GLN . 40.4 tt0 -103.6 14.4 31.25 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 122.036 0.922 . . . . 0.0 108.998 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 13.7 pt-20 57.86 32.01 21.33 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.421 1.488 . . . . 0.0 112.338 174.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.663 ' OE1' ' HB3' ' A' ' 17' ' ' ASN . 1.5 pm0 -95.38 142.51 27.68 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 173.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.93 146.8 33.21 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.103 0.478 . . . . 0.0 111.127 -175.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 m -151.67 177.56 10.24 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.736 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.7 pt -116.97 140.62 38.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.214 0.531 . . . . 0.0 110.139 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.417 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 70.7 t-105 -135.36 134.19 21.06 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 51.9 Cg_exo -57.68 114.49 1.98 Allowed 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 122.397 2.065 . . . . 0.0 112.276 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -52.69 -27.57 18.01 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.311 1.007 . . . . 0.0 112.419 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -55.66 -42.71 75.47 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.673 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -98.97 162.68 12.95 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.151 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -87.55 137.45 32.32 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 36' ' ' ARG . 21.5 pt -61.47 155.35 59.29 Favored Pre-proline 0 C--N 1.314 -0.942 0 O-C-N 124.673 1.233 . . . . 0.0 113.047 -175.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 17.3 Cg_exo -65.85 150.79 85.56 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.42 2.08 . . . . 0.0 112.103 177.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -42.65 -46.78 5.13 Favored 'General case' 0 C--N 1.334 -0.075 0 C-N-CA 124.25 1.02 . . . . 0.0 113.156 -176.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.36 -5.11 87.46 Favored Glycine 0 C--O 1.23 -0.141 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.614 -173.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.408 ' HD1' ' HB2' ' A' ' 32' ' ' PRO . 87.7 m95 -106.44 157.19 17.82 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.077 -0.661 . . . . 0.0 111.095 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.412 ' HA ' HD12 ' A' ' 31' ' ' ILE . 34.1 ttm180 -145.39 156.67 43.91 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.67 126.75 31.01 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.146 0.498 . . . . 0.0 110.873 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.88 72.47 Favored 'General case' 0 CA--C 1.518 -0.282 0 O-C-N 121.825 -0.547 . . . . 0.0 110.318 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.7 -69.33 0.36 Allowed Glycine 0 CA--C 1.506 -0.48 0 C-N-CA 120.13 -1.033 . . . . 0.0 111.944 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.687 ' HD2' ' CD2' ' A' ' 50' ' ' TYR . 97.5 mttt -70.43 121.75 18.34 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.661 0.743 . . . . 0.0 110.583 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.6 t -113.31 143.29 44.69 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.448 175.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.44 177.15 43.37 Favored Glycine 0 C--O 1.215 -1.032 0 C-N-CA 120.276 -0.964 . . . . 0.0 111.394 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.93 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 2.5 pt? -66.42 177.14 1.59 Allowed 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.041 0.448 . . . . 0.0 111.163 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.58 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 21.9 ttmt -47.82 -54.47 12.33 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.275 0.63 . . . . 0.0 112.009 -176.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.54 -40.7 68.92 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 122.454 0.302 . . . . 0.0 111.172 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' HB2' HD23 ' A' ' 43' ' ' LEU . 14.5 t70 -65.64 -38.82 90.46 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.192 0.52 . . . . 0.0 110.198 -178.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 74.0 m -71.22 -40.42 71.11 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.169 178.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 62.5 mt -60.39 -42.55 96.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.194 0.521 . . . . 0.0 110.381 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.67 -42.26 92.48 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.991 174.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.687 ' CD2' ' HD2' ' A' ' 40' ' ' LYS . 51.5 t80 -55.84 -48.5 75.37 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 123.566 0.746 . . . . 0.0 111.686 177.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.74 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 18.3 mm -63.63 -31.29 52.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.657 0.741 . . . . 0.0 110.477 -176.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -61.6 -40.15 93.78 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.802 177.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.512 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 45.0 mm-40 -47.35 -62.18 1.55 Allowed 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -175.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.74 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.8 p . . . . . 0 C--N 1.349 0.556 0 O-C-N 119.637 -1.915 . . . . 0.0 110.329 -4.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.528 ' N ' ' HH ' ' A' ' 28' ' ' TYR . 49.4 mt-30 . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -119.28 160.19 22.69 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 122.2 1.0 . . . . 0.0 112.449 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 27.3 pt20 -136.49 146.86 46.75 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.54 HG21 ' HB3' ' A' ' 50' ' ' TYR . 41.5 t -84.53 125.87 40.27 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.7 m -115.17 138.93 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.6 p -119.36 138.11 51.1 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -83.09 170.46 14.78 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.028 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -74.6 2.12 10.53 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 121.279 -0.888 . . . . 0.0 109.445 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -100.41 5.29 44.27 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.124 -0.943 . . . . 0.0 108.474 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 59.17 39.2 23.2 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.551 -173.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -95.58 131.14 42.11 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -95.56 135.79 36.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.855 0.836 . . . . 0.0 111.24 -175.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 t -139.84 166.71 23.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.909 174.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.607 HG22 ' SG ' ' A' ' 47' ' ' CYS . 30.9 pt -115.33 128.57 72.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.455 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 57.0 t-105 -134.54 136.12 25.0 Favored Pre-proline 0 C--N 1.31 -1.11 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.998 -175.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.611 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 50.4 Cg_exo -55.06 139.2 79.97 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 121.639 1.56 . . . . 0.0 112.634 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -68.23 -33.98 75.39 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.624 -173.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.528 ' HH ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -81.72 -6.11 58.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.373 -178.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.611 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 67.0 mttm -97.95 145.58 26.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 176.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -72.5 134.1 45.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.228 0.955 . . . . 0.0 109.458 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.3 mt -65.4 132.08 95.07 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.006 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.85 151.48 56.36 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.342 2.028 . . . . 0.0 112.044 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -70.12 117.82 12.17 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.736 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.81 -20.5 7.24 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -105.23 156.52 18.04 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.334 -0.433 . . . . 0.0 110.166 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' HA ' ' HD2' ' A' ' 36' ' ' ARG . 10.5 tpt180 -132.31 152.92 51.17 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.25 125.78 28.18 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.96 80.56 1.47 Allowed 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.36 -103.54 2.96 Favored Glycine 0 N--CA 1.439 -1.156 0 C-N-CA 120.541 -0.838 . . . . 0.0 114.496 166.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HG3' ' HD1' ' A' ' 50' ' ' TYR . 29.2 mtpp -77.24 122.66 25.37 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.284 0.564 . . . . 0.0 112.171 -170.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 p -130.71 128.07 40.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.492 175.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 170.32 -117.63 0.71 Allowed Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.258 -0.972 . . . . 0.0 112.141 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.483 HD13 ' HG2' ' A' ' 11' ' ' GLN . 2.1 mm? -81.06 168.66 18.4 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -57.2 -39.91 76.34 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.516 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.523 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -63.19 -30.78 71.86 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.661 -179.146 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.523 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 41.9 m-20 -66.38 -41.73 88.99 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 121.86 0.838 . . . . 0.0 110.785 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.607 ' SG ' HG22 ' A' ' 24' ' ' ILE . 42.5 t -70.41 -46.62 63.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.862 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.4 mp -56.48 -52.32 65.15 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.411 0.624 . . . . 0.0 111.981 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -52.32 -41.05 62.65 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.836 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.54 ' HB3' HG21 ' A' ' 14' ' ' VAL . 36.2 t80 -61.63 -37.41 83.86 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.682 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.744 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -71.53 -34.29 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 O-C-N 121.925 -0.484 . . . . 0.0 109.997 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.73 -42.84 99.49 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.222 0.534 . . . . 0.0 111.915 175.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 65.8 mm-40 -45.87 -61.06 1.89 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -174.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.744 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.8 p . . . . . 0 C--O 1.23 0.061 0 CA-C-N 121.715 2.052 . . . . 0.0 111.249 -4.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 . . . . . 0 CA--C 1.516 -0.349 0 CA-C-O 121.529 0.681 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -120.77 179.05 4.47 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.181 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.491 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 10.3 pt20 -143.44 157.08 44.74 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 170.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.0 t -95.81 127.98 47.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.414 HG11 HG23 ' A' ' 31' ' ' ILE . 21.0 m -115.9 153.52 17.48 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 O-C-N 123.458 0.474 . . . . 0.0 109.956 176.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 p -122.86 138.16 53.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 CA-C-O 120.932 0.396 . . . . 0.0 111.168 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -92.41 172.43 8.4 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.125 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -60.44 -10.28 4.71 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.671 0.788 . . . . 0.0 112.359 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -111.13 17.9 19.9 Favored 'General case' 0 N--CA 1.442 -0.828 0 O-C-N 123.489 0.493 . . . . 0.0 111.311 -174.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 61.99 37.45 14.94 Favored 'General case' 0 C--N 1.344 0.334 0 O-C-N 124.266 0.979 . . . . 0.0 110.072 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -112.86 129.63 56.39 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.75 176.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -96.31 156.32 16.39 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.022 0.826 . . . . 0.0 111.357 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -156.94 178.59 10.18 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 124.463 1.102 . . . . 0.0 109.013 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.521 ' CG2' ' HB3' ' A' ' 47' ' ' CYS . 29.7 pt -119.77 143.31 31.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.513 0.673 . . . . 0.0 110.475 -175.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -144.05 134.71 12.22 Favored Pre-proline 0 C--N 1.309 -1.172 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.276 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.515 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 51.8 Cg_exo -54.59 132.61 52.34 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.26 1.974 . . . . 0.0 112.334 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.7 -30.08 71.09 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.483 -173.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -85.64 15.51 4.61 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -175.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.515 ' HE2' ' HG2' ' A' ' 26' ' ' PRO . 50.5 mtmt -130.04 154.88 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.083 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.39 131.54 45.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.154 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.414 HG23 HG11 ' A' ' 15' ' ' VAL . 70.1 mt -64.11 139.32 97.65 Favored Pre-proline 0 C--O 1.236 0.386 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.091 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -53.34 135.92 61.61 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.248 1.965 . . . . 0.0 112.056 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -47.28 -35.55 7.98 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.055 0.847 . . . . 0.0 112.659 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.53 -3.09 90.71 Favored Glycine 0 C--O 1.221 -0.71 0 C-N-CA 120.864 -0.684 . . . . 0.0 114.414 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 47.9 m95 -126.09 168.88 13.39 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -148.01 163.93 35.35 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.274 -0.267 . . . . 0.0 110.31 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.85 125.0 25.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 123.594 0.558 . . . . 0.0 110.761 -175.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.12 -20.82 55.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.658 0.599 . . . . 0.0 111.289 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.75 -33.14 5.06 Favored Glycine 0 C--N 1.346 1.134 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.232 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 tpmt? -87.35 123.28 32.15 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.002 0.43 . . . . 0.0 111.404 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 13' ' ' GLN . 53.1 m -124.32 153.53 41.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.267 174.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.87 -175.25 41.51 Favored Glycine 0 CA--C 1.506 -0.52 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.3 mt -66.99 176.15 2.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 117.32 0.56 . . . . 0.0 110.319 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -55.86 -42.23 75.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.25 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.529 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -60.58 -45.39 94.13 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.777 -177.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.14 -38.06 84.88 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.387 0.613 . . . . 0.0 110.138 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.521 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 16.7 m -75.54 -48.11 23.93 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.957 -176.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.77 -46.92 87.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.394 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -58.03 -37.65 74.74 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.246 176.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 47.3 t80 -57.05 -45.17 83.4 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 123.731 0.644 . . . . 0.0 111.361 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.68 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.8 mp -69.95 -33.53 55.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -177.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.57 -42.23 99.42 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.093 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 18.2 mm-40 -45.05 -62.26 1.31 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -175.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.68 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.1 p . . . . . 0 N--CA 1.476 0.868 0 CA-C-N 121.455 1.934 . . . . 0.0 110.504 -2.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.524 ' HB2' ' HB3' ' A' ' 27' ' ' GLU . 56.3 mt-30 . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.558 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . 28.3 m-85 -120.77 151.8 39.12 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.975 0.893 . . . . 0.0 111.384 178.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 25.2 pt20 -136.59 151.54 49.47 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.631 -1.168 . . . . 0.0 109.205 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 22.6 t -92.87 124.73 45.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 118.347 0.521 . . . . 0.0 109.627 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.05 146.91 19.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 17' ' ' ASN . 8.8 p -132.23 144.64 36.44 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 CA-C-O 121.27 0.557 . . . . 0.0 110.511 -176.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.432 ' O ' HG22 ' A' ' 16' ' ' VAL . 61.5 t30 -92.76 159.56 15.35 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 172.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -72.51 14.74 0.23 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.715 0.769 . . . . 0.0 111.477 -175.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 17' ' ' ASN . 7.8 pt-20 -106.42 8.66 31.69 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 67.17 38.93 3.24 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.415 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -99.99 117.37 34.14 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.215 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -90.77 135.85 33.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.299 0.571 . . . . 0.0 110.726 -176.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 t -143.37 172.89 12.15 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.416 HG22 ' SG ' ' A' ' 47' ' ' CYS . 29.8 pt -115.08 145.23 21.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.537 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 43.6 t-105 -141.42 141.61 23.66 Favored Pre-proline 0 C--N 1.313 -0.997 0 C-N-CA 122.94 0.496 . . . . 0.0 110.432 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.681 ' HB2' ' HG2' ' A' ' 29' ' ' LYS . 26.0 Cg_exo -62.19 139.33 77.43 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.382 2.721 . . . . 0.0 111.916 175.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 7.6 tp10 -69.31 -41.57 76.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -176.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -68.36 -23.23 64.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -171.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.681 ' HG2' ' HB2' ' A' ' 26' ' ' PRO . 18.0 ptpt -98.15 156.15 16.81 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.92 146.5 46.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.613 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.1 mt -87.46 142.49 33.14 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -53.9 128.54 30.08 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.174 1.916 . . . . 0.0 110.919 169.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -71.51 -7.36 47.06 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -171.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.15 -23.49 71.26 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 173.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -102.18 166.4 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -129.68 148.4 51.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.78 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.99 139.9 38.11 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -139.73 147.9 41.54 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.184 0.516 . . . . 0.0 112.051 -176.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.483 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . 58.02 -107.27 1.02 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.444 -0.798 . . . . 0.0 114.717 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.934 ' HD2' ' HB2' ' A' ' 50' ' ' TYR . 56.3 mttm -96.7 128.85 44.05 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.479 1.133 . . . . 0.0 112.275 -170.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.0 t -126.48 110.18 13.0 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.054 168.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.38 -124.84 0.93 Allowed Glycine 0 CA--C 1.51 -0.279 0 C-N-CA 120.321 -0.943 . . . . 0.0 113.146 -176.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.23 165.87 15.3 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 124.234 0.608 . . . . 0.0 111.619 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.558 ' HA ' ' HB2' ' A' ' 12' ' ' PHE . 50.8 tttp -65.67 -53.83 35.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.209 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.511 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -64.36 -29.39 70.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.392 178.848 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.511 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 38.8 t70 -69.92 -38.51 76.25 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 120.8 0.333 . . . . 0.0 110.358 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.416 ' SG ' HG22 ' A' ' 24' ' ' ILE . 27.9 t -66.67 -47.39 72.63 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 121.47 0.652 . . . . 0.0 109.773 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 72.7 mt -56.75 -44.3 81.6 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.159 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.54 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.75 -42.1 67.83 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.715 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.934 ' HB2' ' HD2' ' A' ' 40' ' ' LYS . 73.5 t80 -53.21 -49.47 66.7 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.61 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 4.0 mp -65.21 -34.83 73.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.066 0.46 . . . . 0.0 110.872 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.78 -42.61 99.77 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.817 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 8.7 mm-40 -43.3 -62.21 1.12 Allowed 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.61 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.4 p . . . . . 0 CA--C 1.538 0.502 0 CA-C-N 121.779 2.081 . . . . 0.0 109.929 -7.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.668 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 54.1 mt-30 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 121.883 0.849 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -123.36 174.97 7.0 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.121 -1.399 . . . . 0.0 111.453 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 27.1 pt20 -139.51 150.44 45.13 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 113.547 -1.66 . . . . 0.0 107.132 169.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 61.6 t -93.06 127.98 44.83 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 O-C-N 121.485 -0.76 . . . . 0.0 109.217 -178.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.499 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 20.1 m -113.81 137.44 46.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.865 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.521 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 5.9 p -128.54 132.78 67.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.433 HD21 ' HB2' ' A' ' 19' ' ' GLU . 37.9 p-10 -92.13 -163.43 1.04 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.822 0.344 . . . . 0.0 110.596 -175.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -82.74 -10.08 59.06 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.774 -0.579 . . . . 0.0 110.291 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.433 ' HB2' HD21 ' A' ' 17' ' ' ASN . 2.3 mp0 -98.01 13.9 29.28 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.753 178.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 13.5 pt-20 53.45 32.13 13.43 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 125.498 1.519 . . . . 0.0 111.526 178.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.521 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 94.0 mt-30 -90.63 145.52 24.78 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 173.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -122.84 153.2 39.9 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-O 121.224 0.535 . . . . 0.0 112.029 -175.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.1 t -164.52 177.58 8.03 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.861 -178.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.7 pt -119.05 132.81 67.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.721 0.772 . . . . 0.0 109.514 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.463 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 69.9 t-105 -125.74 141.4 39.12 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.236 -177.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HD2' ' CD2' ' A' ' 25' ' ' TRP . 10.2 Cg_endo -55.63 130.45 40.51 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.102 1.868 . . . . 0.0 111.567 175.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -27.35 62.47 Favored 'General case' 0 N--CA 1.441 -0.884 0 O-C-N 121.128 -0.983 . . . . 0.0 111.057 -172.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -73.04 -19.47 61.18 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.35 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -100.09 152.2 20.51 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.414 0.626 . . . . 0.0 111.097 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -75.64 140.65 42.7 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.79 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.468 HD11 ' HB2' ' A' ' 37' ' ' ALA . 66.8 mt -65.72 136.23 95.83 Favored Pre-proline 0 C--N 1.317 -0.81 0 O-C-N 123.476 0.485 . . . . 0.0 110.532 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.28 138.3 82.99 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.542 2.161 . . . . 0.0 111.315 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -63.41 122.3 15.91 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 121.153 0.501 . . . . 0.0 110.127 -174.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.24 -20.9 6.98 Favored Glycine 0 C--N 1.311 -0.859 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -176.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.499 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 83.0 m95 -105.67 159.46 15.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.498 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 73.1 mtm180 -129.15 147.8 51.03 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.028 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.468 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -76.32 134.95 39.58 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.754 0.311 . . . . 0.0 110.414 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -155.16 169.29 24.48 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.073 -177.146 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.1 -132.14 16.38 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.246 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -125.56 130.7 52.22 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 110.741 -0.096 . . . . 0.0 110.741 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.0 m -95.3 129.6 42.37 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.652 -0.869 . . . . 0.0 108.652 174.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.668 ' O ' ' HA ' ' A' ' 11' ' ' GLN . . . 166.97 -128.84 1.8 Allowed Glycine 0 C--O 1.24 0.524 0 C-N-CA 119.958 -1.115 . . . . 0.0 112.242 -177.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.4 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? -77.52 157.06 30.58 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.882 -0.775 . . . . 0.0 110.224 -175.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.574 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 74.6 tttt -51.7 -50.27 60.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.433 0.635 . . . . 0.0 111.008 177.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.567 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -63.03 -29.56 70.91 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.691 -177.881 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.567 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 37.9 t0 -72.5 -43.89 63.01 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 122.714 0.406 . . . . 0.0 110.565 -176.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.569 ' O ' HG12 ' A' ' 51' ' ' ILE . 79.0 m -66.24 -40.86 90.53 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.761 176.28 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 85.8 mt -58.46 -42.64 87.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.891 177.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.19 75.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.382 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -63.06 -33.3 75.14 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 124.067 0.854 . . . . 0.0 111.833 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.606 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 25.2 mm -69.37 -34.66 63.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.486 0.66 . . . . 0.0 110.202 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.07 -35.26 74.77 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.965 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.422 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 15.3 mm-40 -48.49 -62.57 1.43 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -173.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.606 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.2 p . . . . . 0 C--O 1.243 0.753 0 CA-C-N 121.201 1.818 . . . . 0.0 111.254 -1.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.628 ' N ' ' HH ' ' A' ' 28' ' ' TYR . 80.9 mt-30 . . . . . 0 N--CA 1.438 -1.048 0 CA-C-O 120.504 0.192 . . . . 0.0 110.502 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -129.66 179.65 5.71 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 122.671 1.224 . . . . 0.0 111.413 -171.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.592 ' NE2' HD11 ' A' ' 31' ' ' ILE . 16.3 pt20 -156.38 162.88 40.01 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 113.44 -1.709 . . . . 0.0 108.274 177.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.436 HG21 ' CD1' ' A' ' 50' ' ' TYR . 18.1 t -97.93 129.98 47.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.22 -175.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 15.5 m -120.89 148.25 24.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.263 0.554 . . . . 0.0 110.318 176.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 11.2 p -129.15 140.44 49.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.483 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -128.2 86.15 2.43 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 68.41 -46.94 0.54 Allowed 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 161.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.52 ' HB2' ' HG3' ' A' ' 21' ' ' GLN . 4.7 mp0 -93.03 6.73 46.91 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.918 -176.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 42.8 tt0 73.74 22.21 2.59 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -175.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.52 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 25.3 mt-30 -72.66 103.13 3.49 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.314 172.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 14.9 p90 -98.1 134.73 40.77 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 120.996 0.427 . . . . 0.0 110.759 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.6 t -143.99 179.36 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.415 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.52 HG22 ' SG ' ' A' ' 47' ' ' CYS . 41.7 pt -109.52 134.07 52.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-O 120.818 0.342 . . . . 0.0 110.834 -177.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.48 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 68.3 t-105 -129.94 138.55 33.35 Favored Pre-proline 0 C--N 1.315 -0.916 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.646 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 52.4 Cg_exo -53.84 134.0 57.05 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.458 2.105 . . . . 0.0 111.934 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.546 ' HA ' ' OE1' ' A' ' 13' ' ' GLN . 9.0 tm-20 -64.2 -31.44 72.64 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.551 -172.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.628 ' HH ' ' N ' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -81.76 -18.96 42.4 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.788 -175.541 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.646 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 98.3 mttt -92.76 155.17 17.85 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 121.862 0.839 . . . . 0.0 112.106 -170.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -75.57 124.32 27.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.537 -1.211 . . . . 0.0 109.749 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.592 HD11 ' NE2' ' A' ' 13' ' ' GLN . 65.5 mt -67.09 137.52 94.46 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.408 ' HB2' ' HD1' ' A' ' 35' ' ' TRP . 45.7 Cg_exo -55.62 143.54 78.76 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.163 1.909 . . . . 0.0 112.497 174.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -56.38 -23.08 35.47 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -174.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.41 -20.93 55.84 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.17 -1.014 . . . . 0.0 112.225 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.408 ' HD1' ' HB2' ' A' ' 32' ' ' PRO . 65.7 m95 -100.7 146.95 26.57 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.553 0.692 . . . . 0.0 111.154 -174.306 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -117.93 139.49 51.08 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.716 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.505 ' HB2' ' CD1' ' A' ' 31' ' ' ILE . . . -75.08 132.99 41.66 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 123.14 0.576 . . . . 0.0 110.513 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.421 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -147.72 159.4 43.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.169 0.509 . . . . 0.0 110.231 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.74 -131.84 11.41 Favored Glycine 0 C--O 1.246 0.844 0 C-N-CA 121.024 -0.608 . . . . 0.0 113.374 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -129.13 155.86 44.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.367 0.603 . . . . 0.0 110.665 -177.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 13' ' ' GLN . 6.6 p -114.01 155.6 25.6 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.437 174.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.19 -151.66 21.4 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.511 ' HA ' ' HG2' ' A' ' 11' ' ' GLN . 3.5 mm? -62.73 171.6 2.01 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.156 0.503 . . . . 0.0 111.749 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.52 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 85.4 tttt -64.39 -50.62 66.95 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.994 0.426 . . . . 0.0 110.932 -177.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -29.6 70.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.844 -178.056 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.434 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 4.2 m-20 -62.95 -42.09 99.71 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.473 177.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.597 ' O ' HG12 ' A' ' 51' ' ' ILE . 18.8 t -75.33 -39.69 59.13 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -178.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 76.5 mt -60.48 -49.59 76.97 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 121.398 0.618 . . . . 0.0 111.165 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.05 -47.36 68.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.771 176.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.436 ' CD1' HG21 ' A' ' 14' ' ' VAL . 51.6 t80 -54.85 -41.73 71.13 Favored 'General case' 0 C--N 1.311 -1.105 0 O-C-N 124.29 0.994 . . . . 0.0 111.92 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.664 ' HA ' HG23 ' A' ' 54' ' ' VAL . 21.4 mm -70.66 -34.98 59.03 Favored 'Isoleucine or valine' 0 C--O 1.248 1.0 0 CA-C-O 121.14 0.495 . . . . 0.0 110.894 -174.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.37 -40.09 95.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.411 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.602 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 20.3 mm-40 -46.03 -61.9 1.56 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -175.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.664 HG23 ' HA ' ' A' ' 51' ' ' ILE . 3.8 p . . . . . 0 C--N 1.354 0.784 0 CA-C-N 121.72 2.055 . . . . 0.0 109.027 -5.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.842 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 27.4 mp0 . . . . . 0 C--O 1.239 0.508 0 CA-C-O 121.582 0.706 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -125.91 178.33 5.8 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.97 0.891 . . . . 0.0 111.108 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -139.82 146.65 39.66 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.361 -1.29 . . . . 0.0 107.662 169.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.569 HG11 ' CD1' ' A' ' 50' ' ' TYR . 24.7 t -90.1 126.45 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 C-N-CA 119.322 -0.951 . . . . 0.0 108.787 -178.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.462 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 16.9 m -114.81 149.34 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-O 121.184 0.516 . . . . 0.0 110.62 178.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p -117.26 133.25 64.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.67 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.407 ' HB2' ' CZ3' ' A' ' 35' ' ' TRP . 23.8 t-20 -78.11 165.41 24.01 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -70.68 -1.41 11.23 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.455 0.645 . . . . 0.0 110.685 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.98 13.73 32.97 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.391 175.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 59.88 28.25 17.72 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.711 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -104.42 126.71 51.75 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -93.79 149.79 20.94 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.622 0.248 . . . . 0.0 111.474 -170.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -152.71 176.24 11.98 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.6 pt -113.72 140.14 35.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -135.86 127.3 17.22 Favored Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.55 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 44.5 Cg_exo -55.84 128.15 29.09 Favored 'Trans proline' 0 CA--C 1.512 -0.614 0 C-N-CA 122.435 2.09 . . . . 0.0 110.835 178.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.18 -36.59 80.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.742 0.306 . . . . 0.0 111.516 -168.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -66.43 -15.52 63.39 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HE2' ' HG2' ' A' ' 26' ' ' PRO . 47.3 mtmt -96.49 149.3 21.9 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.203 0.525 . . . . 0.0 111.108 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -74.33 136.63 42.55 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.119 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.443 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 34.8 pt -80.07 146.83 64.07 Favored Pre-proline 0 C--O 1.243 0.719 0 O-C-N 122.002 -0.436 . . . . 0.0 110.215 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 7.3 Cg_exo -73.42 154.41 50.66 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 123.006 2.471 . . . . 0.0 111.376 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.438 ' OE1' ' HA ' ' A' ' 33' ' ' GLN . 7.0 tp60 -64.71 117.96 8.22 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.788 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.04 -18.6 5.87 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.024 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.462 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 76.3 m95 -103.53 145.57 29.83 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' HA ' ' HD3' ' A' ' 36' ' ' ARG . 10.6 mmt180 -125.07 143.23 51.02 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.56 129.38 39.53 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 121.398 0.618 . . . . 0.0 111.385 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . . . -80.08 -153.72 0.09 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.464 178.056 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.21 13.53 57.16 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.172 -1.013 . . . . 0.0 114.036 -170.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.513 ' HD2' ' HD2' ' A' ' 50' ' ' TYR . 57.6 mttm -148.8 123.87 10.08 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 177.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.5 m -119.31 136.85 54.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.284 170.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.96 -165.27 37.54 Favored Glycine 0 C--N 1.317 -0.519 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.842 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 1.7 pt? -77.53 178.92 6.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 118.085 0.942 . . . . 0.0 110.213 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' A' ' 44' ' ' LYS . 26.3 ttmt -46.13 -38.87 8.7 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.583 0.753 . . . . 0.0 112.702 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.579 ' H ' ' HG ' ' A' ' 43' ' ' LEU . 58.7 tptt -61.39 -50.05 74.41 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.21 -177.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -72.73 -34.26 66.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.857 0.837 . . . . 0.0 111.042 -176.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 37.5 t -70.06 -46.64 64.54 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.659 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 tp -58.14 -46.36 85.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.966 176.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.66 -40.9 66.28 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.04 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.569 ' CD1' HG11 ' A' ' 14' ' ' VAL . 46.6 t80 -56.58 -39.85 74.23 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -177.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.668 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.8 mp -65.1 -35.54 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-O 121.412 0.625 . . . . 0.0 110.671 -178.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.11 -45.44 87.27 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.746 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.562 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 5.6 mm-40 -47.4 -60.96 2.15 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.749 1.281 . . . . 0.0 114.148 -171.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.668 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.7 p . . . . . 0 C--N 1.346 0.435 0 CA-C-N 121.758 2.072 . . . . 0.0 109.566 -3.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.466 0.336 0 CA-C-O 120.968 0.414 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.449 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 96.5 m-85 -124.95 177.38 6.08 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.795 0.807 . . . . 0.0 111.298 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 4.6 pt20 -147.48 157.28 43.51 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 173.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.576 ' HB ' ' HA3' ' A' ' 39' ' ' GLY . 58.6 t -97.59 125.94 50.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.742 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.43 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 28.0 m -117.02 156.07 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p -122.54 135.84 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-O 121.303 0.573 . . . . 0.0 110.77 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 35' ' ' TRP . 20.2 t-20 -85.19 173.27 10.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.587 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -68.4 -10.03 52.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.038 0.447 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -90.15 3.88 52.1 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 61.17 36.98 17.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.339 -1.301 . . . . 0.0 110.73 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -107.1 138.15 43.81 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 121.427 0.632 . . . . 0.0 109.371 176.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -92.48 139.72 30.3 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 122.167 0.984 . . . . 0.0 111.882 -174.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -139.32 171.54 14.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.113 -1.403 . . . . 0.0 107.996 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.0 pt -117.82 143.99 26.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.158 0.504 . . . . 0.0 110.963 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.428 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 63.3 t-105 -142.89 139.85 17.46 Favored Pre-proline 0 C--N 1.3 -1.576 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.237 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.88 125.87 20.52 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.343 2.029 . . . . 0.0 110.36 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -68.24 -27.03 66.0 Favored 'General case' 0 C--O 1.243 0.735 0 O-C-N 123.648 0.592 . . . . 0.0 111.798 -169.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -81.32 -12.77 58.95 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 122.828 0.451 . . . . 0.0 111.45 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -97.51 158.95 15.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.28 129.92 36.52 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.373 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.401 ' CG2' ' HB2' ' A' ' 35' ' ' TRP . 75.8 mt -71.47 127.99 90.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.172 177.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.08 157.25 35.3 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.399 2.066 . . . . 0.0 112.295 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -72.57 110.08 6.69 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.967 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.52 -16.86 3.33 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.397 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.517 ' CZ3' ' HB2' ' A' ' 17' ' ' ASN . 84.3 m95 -107.21 140.6 39.83 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.431 -0.452 . . . . 0.0 110.649 177.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 36' ' ' ARG . 7.8 tpp180 -110.47 136.81 49.03 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.03 118.66 13.16 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -167.24 91.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.923 0.868 . . . . 0.0 111.579 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.576 ' HA3' ' HB ' ' A' ' 14' ' ' VAL . . . 164.96 -121.45 1.01 Allowed Glycine 0 CA--C 1.522 0.527 0 C-N-CA 119.117 -1.516 . . . . 0.0 112.327 175.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -129.32 137.86 51.25 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 114.806 -0.697 . . . . 0.0 109.542 -175.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -109.32 140.37 43.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.993 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.33 -141.17 8.11 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 119.699 -1.239 . . . . 0.0 111.422 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 43' ' ' LEU . 2.7 mm? -79.41 175.29 10.74 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.437 -0.382 . . . . 0.0 110.856 -177.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.64 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 55.6 tptt -56.12 -47.5 77.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.893 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.6 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -60.01 -32.78 71.2 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.452 -179.64 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.6 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 45.7 m-20 -69.63 -38.09 77.06 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 64.0 m -71.81 -44.72 63.46 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 124.178 0.924 . . . . 0.0 110.214 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 77.7 mt -55.14 -49.91 70.61 Favored 'General case' 0 C--O 1.242 0.676 0 O-C-N 124.033 0.833 . . . . 0.0 110.741 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.668 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -54.49 -47.41 73.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.254 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 89.8 t80 -53.82 -50.15 66.8 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 123.511 0.507 . . . . 0.0 112.288 -176.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.68 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 2.1 mp -64.33 -34.12 67.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.364 0.602 . . . . 0.0 110.849 -177.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -71.32 -31.44 67.41 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 121.488 -0.758 . . . . 0.0 112.594 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.668 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 5.2 mm-40 -44.5 -62.11 1.3 Allowed 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 118.731 -0.652 . . . . 0.0 112.628 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.68 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.8 p . . . . . 0 N--CA 1.471 0.584 0 CA-C-N 120.535 1.516 . . . . 0.0 111.104 -4.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -113.03 159.35 19.25 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.034 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.455 ' NE2' HD11 ' A' ' 31' ' ' ILE . 20.4 pt20 -134.85 147.82 49.99 Favored 'General case' 0 N--CA 1.435 -1.213 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.2 t -91.25 125.41 43.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 m -113.57 145.29 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' ' 20' ' ' GLU . 7.6 p -136.42 140.83 42.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -178.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.582 ' OD1' ' HG2' ' A' ' 21' ' ' GLN . 34.1 p-10 -92.9 -170.38 2.42 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -81.2 7.61 10.83 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.734 0.778 . . . . 0.0 111.374 -176.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -112.6 7.77 18.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.538 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 27.4 tt0 58.88 43.97 17.37 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.888 177.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.582 ' HG2' ' OD1' ' A' ' 17' ' ' ASN . 11.4 pt20 -107.71 143.84 35.66 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 171.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -112.77 143.26 44.3 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -168.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.5 m -154.11 174.76 14.28 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 174.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.3 pt -120.84 146.45 25.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.248 0.547 . . . . 0.0 110.304 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 46.1 t-105 -137.0 138.53 26.03 Favored Pre-proline 0 C--N 1.315 -0.902 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -176.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 33.4 Cg_exo -61.26 130.78 33.52 Favored 'Trans proline' 0 C--O 1.223 -0.232 0 C-N-CA 122.128 1.885 . . . . 0.0 111.344 176.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.24 -23.96 67.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.028 0.83 . . . . 0.0 111.697 -172.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -67.13 -26.68 66.8 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -100.55 146.63 26.86 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.99 0.424 . . . . 0.0 111.364 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -71.27 139.25 49.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.934 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.455 HD11 ' NE2' ' A' ' 13' ' ' GLN . 41.3 mt -68.88 137.45 90.03 Favored Pre-proline 0 C--O 1.237 0.422 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.726 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -58.51 141.7 97.49 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.599 2.199 . . . . 0.0 110.792 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -67.91 114.27 6.33 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.75 -24.05 2.76 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -108.21 161.25 15.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.954 -0.623 . . . . 0.0 109.718 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 36' ' ' ARG . 17.9 ttp85 -134.55 146.05 49.29 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.08 135.47 44.81 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.486 -178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.21 12.25 22.92 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.672 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.18 -6.46 71.66 Favored Glycine 0 N--CA 1.462 0.386 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.348 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -106.52 110.65 22.92 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.027 0.441 . . . . 0.0 111.726 -174.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.4 t -124.16 148.32 47.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.959 174.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.83 -163.75 37.4 Favored Glycine 0 C--N 1.312 -0.786 0 C-N-CA 121.209 -0.519 . . . . 0.0 112.232 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 43' ' ' LEU . 4.5 mm? -72.59 174.31 7.69 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.895 0.379 . . . . 0.0 110.765 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.604 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 21.7 ttmm -59.49 -53.34 59.2 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.352 -177.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.592 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -56.87 -33.17 66.59 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.901 -177.23 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.592 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 1.9 t70 -70.79 -39.67 73.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.594 -175.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.627 ' O ' HG12 ' A' ' 51' ' ' ILE . 66.5 m -73.75 -42.33 61.24 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.478 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 88.2 mt -57.97 -47.6 82.47 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.435 178.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.25 -40.26 77.26 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 124.023 0.827 . . . . 0.0 110.946 176.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -65.11 -38.89 92.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.381 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.627 HG12 ' O ' ' A' ' 47' ' ' CYS . 22.8 mm -71.32 -34.35 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 121.162 0.506 . . . . 0.0 109.846 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.16 -37.01 78.87 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 123.243 0.617 . . . . 0.0 111.681 175.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.622 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 75.1 mm-40 -44.65 -61.13 1.68 Allowed 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -176.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.622 ' C ' ' HB2' ' A' ' 53' ' ' GLU . 2.7 p . . . . . 0 N--CA 1.476 0.831 0 O-C-N 119.279 -2.138 . . . . 0.0 108.782 -2.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.44 ' HG2' HD13 ' A' ' 43' ' ' LEU . 48.8 mt-30 . . . . . 0 C--O 1.235 0.337 0 CA-C-O 121.116 0.484 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -124.41 164.24 20.08 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 122.61 1.195 . . . . 0.0 111.687 -176.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -139.76 148.71 42.64 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.278 -1.328 . . . . 0.0 108.262 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -90.22 121.82 40.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.5 m -115.41 147.91 18.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-O 121.634 0.731 . . . . 0.0 110.702 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 20' ' ' GLU . 14.2 p -130.88 137.38 56.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.122 179.039 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -84.81 175.78 8.93 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -70.83 -4.29 23.36 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -96.26 7.7 45.77 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.449 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 47.1 mt-10 55.61 29.18 13.1 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.925 178.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -94.72 138.58 32.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.686 171.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -98.87 151.16 21.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.243 0.544 . . . . 0.0 110.637 -173.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.8 m -154.76 171.76 19.06 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.493 -1.23 . . . . 0.0 109.76 172.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.1 pt -113.0 128.53 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 O-C-N 121.677 -0.639 . . . . 0.0 110.603 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -128.98 135.85 28.27 Favored Pre-proline 0 N--CA 1.445 -0.678 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.049 -175.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -57.95 136.51 75.6 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 121.92 1.747 . . . . 0.0 111.129 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.56 -45.4 90.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.065 0.46 . . . . 0.0 111.288 -172.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -69.1 -17.72 63.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.464 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HE2' ' HB2' ' A' ' 29' ' ' LYS . 23.0 ttmm -86.33 142.4 28.52 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.921 -177.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -80.41 130.77 35.38 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 25.7 pt -83.12 144.69 47.64 Favored Pre-proline 0 C--O 1.241 0.611 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.547 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 13.2 Cg_exo -67.59 155.35 70.49 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.149 1.9 . . . . 0.0 110.732 174.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -74.4 124.94 27.45 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.443 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.18 -26.76 3.9 Favored Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -173.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -102.53 150.21 23.62 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.144 -0.528 . . . . 0.0 109.598 176.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -141.88 161.81 37.04 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 123.347 0.404 . . . . 0.0 110.413 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.19 114.24 6.51 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 123.472 0.482 . . . . 0.0 110.384 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.27 -54.56 14.03 Favored 'General case' 0 C--O 1.205 -1.238 0 C-N-CA 122.781 0.433 . . . . 0.0 111.259 -176.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.66 -99.6 0.18 Allowed Glycine 0 C--O 1.24 0.496 0 C-N-CA 119.634 -1.27 . . . . 0.0 112.97 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -101.4 147.09 26.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.027 0.442 . . . . 0.0 110.928 -172.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 p -131.62 154.01 49.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.306 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.94 -127.35 1.47 Allowed Glycine 0 C--O 1.225 -0.458 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.734 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.597 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 4.3 mm? -80.03 175.46 10.61 Favored 'General case' 0 C--O 1.247 0.943 0 CA-C-O 120.538 0.209 . . . . 0.0 110.701 177.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.65 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 84.2 tttt -56.99 -45.62 82.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.022 0.439 . . . . 0.0 111.024 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.597 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -59.3 -31.25 68.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.993 178.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.471 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 10.7 t70 -66.39 -48.98 68.39 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.759 -177.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.0 p -70.71 -35.94 72.99 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 121.484 0.659 . . . . 0.0 110.772 -176.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 77.1 mt -57.54 -49.69 75.53 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.618 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -57.18 -40.49 77.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.888 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.423 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 60.7 t80 -59.02 -40.65 85.62 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.421 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.608 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -67.54 -34.88 71.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.861 0.362 . . . . 0.0 110.235 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.98 -33.02 74.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.08 177.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.535 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 5.7 mm-40 -46.76 -61.54 1.8 Allowed 'General case' 0 CA--C 1.543 0.686 0 O-C-N 124.493 1.121 . . . . 0.0 112.775 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.608 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.4 p . . . . . 0 N--CA 1.472 0.636 0 CA-C-N 121.51 1.959 . . . . 0.0 108.706 -7.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.428 HE21 HD13 ' A' ' 43' ' ' LEU . 2.7 mp0 . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 121.278 0.561 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.529 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . 7.5 m-85 -131.48 -178.94 5.08 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 122.257 1.027 . . . . 0.0 111.131 -176.097 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -156.24 161.5 40.25 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.6 t -98.78 133.92 39.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 O-C-N 123.557 0.535 . . . . 0.0 110.068 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 17.0 m -115.66 142.18 29.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 O-C-N 123.773 0.671 . . . . 0.0 110.167 177.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.483 ' HB ' ' HB2' ' A' ' 38' ' ' ALA . 14.5 p -113.83 136.2 51.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.691 0.757 . . . . 0.0 111.796 -174.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB3' ' H ' ' A' ' 21' ' ' GLN . 26.6 t-20 -82.1 164.96 20.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.204 177.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -68.63 -3.91 13.6 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.859 0.838 . . . . 0.0 111.983 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -114.44 17.04 17.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.613 176.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 57.9 49.31 12.12 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.962 1.305 . . . . 0.0 112.398 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.43 ' H ' ' HB3' ' A' ' 17' ' ' ASN . 2.0 mp0 -91.71 140.59 29.56 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 167.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -108.75 121.9 46.02 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -177.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.6 m -128.48 163.88 23.96 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.2 pt -108.81 139.67 30.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 C-N-CA 120.376 -0.53 . . . . 0.0 109.999 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -142.22 132.94 12.77 Favored Pre-proline 0 N--CA 1.445 -0.695 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.51 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -55.11 126.74 23.58 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.771 2.314 . . . . 0.0 112.402 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -5.4 32.02 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.257 0.551 . . . . 0.0 111.908 -174.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -72.35 -38.41 68.58 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.14 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -100.47 166.26 11.03 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 123.824 0.703 . . . . 0.0 110.507 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -73.51 143.51 46.53 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.472 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.495 HG23 HG11 ' A' ' 15' ' ' VAL . 66.8 mt -61.13 135.6 93.49 Favored Pre-proline 0 C--O 1.239 0.516 0 C-N-CA 122.788 0.435 . . . . 0.0 110.621 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.3 135.81 46.47 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.875 2.383 . . . . 0.0 111.15 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -62.55 121.12 12.52 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.678 0.751 . . . . 0.0 111.272 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.91 -15.63 18.85 Favored Glycine 0 C--O 1.227 -0.318 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.26 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.504 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 50.9 m95 -105.81 164.13 12.18 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 123.852 0.383 . . . . 0.0 110.884 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 94.4 mtt180 -139.36 155.8 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.229 0.331 . . . . 0.0 110.212 177.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.93 126.39 29.55 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.726 0.298 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HB2' ' HB ' ' A' ' 16' ' ' VAL . . . -118.4 132.24 56.26 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.582 -176.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.2 -91.99 1.04 Allowed Glycine 0 C--N 1.309 -0.951 0 O-C-N 123.984 0.803 . . . . 0.0 113.792 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -151.55 167.91 26.57 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.655 0.74 . . . . 0.0 111.63 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -125.98 159.72 31.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.412 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.47 -137.21 5.47 Favored Glycine 0 CA--C 1.498 -1.021 0 CA-C-O 119.635 -0.536 . . . . 0.0 111.775 -178.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB2' ' OD2' ' A' ' 46' ' ' ASP . 3.9 mm? -67.35 158.73 30.91 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 117.472 0.636 . . . . 0.0 109.544 175.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.571 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 24.9 ttpp -63.33 -42.18 98.95 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.098 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -29.48 70.54 Favored 'General case' 0 N--CA 1.44 -0.939 0 O-C-N 123.897 0.748 . . . . 0.0 111.02 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.457 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 67.0 m-20 -71.41 -33.41 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.7 m -75.34 -38.42 60.19 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.453 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 75.8 mt -60.84 -42.09 97.1 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.744 173.178 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.61 74.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.756 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.719 ' HA ' ' HG3' ' A' ' 53' ' ' GLU . 75.2 t80 -58.17 -34.09 69.93 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.707 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -70.99 -33.03 50.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.305 0.574 . . . . 0.0 110.059 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -64.51 -41.05 96.64 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.7 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.719 ' HG3' ' HA ' ' A' ' 50' ' ' TYR . 4.3 mt-10 -46.91 -61.38 1.89 Allowed 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 118.04 -0.981 . . . . 0.0 113.309 -174.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.707 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.5 p . . . . . 0 C--N 1.342 0.27 0 CA-C-N 121.251 1.841 . . . . 0.0 110.221 -2.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 . . . . . 0 C--O 1.246 0.873 0 CA-C-O 121.852 0.834 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -128.4 179.95 5.36 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.704 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 25.3 pt20 -149.07 155.18 40.36 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.841 ' HB ' ' HA3' ' A' ' 39' ' ' GLY . 41.7 t -99.68 123.54 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.202 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -117.24 163.31 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-O 121.056 0.455 . . . . 0.0 109.924 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 p -129.08 144.34 38.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.495 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -91.76 -178.23 4.99 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 176.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -77.89 -4.2 45.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.154 0.502 . . . . 0.0 110.925 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.48 ' HB2' ' HG3' ' A' ' 21' ' ' GLN . 14.6 mp0 -104.85 8.51 34.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.027 0.441 . . . . 0.0 110.072 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 70.01 22.38 5.78 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 122.341 1.067 . . . . 0.0 109.635 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 91.5 mt-30 -78.08 127.34 32.17 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.369 171.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -103.31 144.41 31.39 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 123.358 0.411 . . . . 0.0 110.953 -176.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 t -151.45 176.1 11.63 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.8 pt -110.94 145.2 17.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.439 0.637 . . . . 0.0 111.434 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.426 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 71.7 t-105 -140.54 142.05 27.6 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 115.168 -0.923 . . . . 0.0 108.601 -178.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.69 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 52.1 Cg_exo -52.69 128.84 29.83 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.757 1.638 . . . . 0.0 111.92 176.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HG3' ' HB3' ' A' ' 41' ' ' SER . 4.9 tm-20 -64.89 -31.45 72.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.581 0.551 . . . . 0.0 111.481 -174.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.469 ' OH ' ' HE2' ' A' ' 29' ' ' LYS . 19.8 p90 -84.55 -12.51 54.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.602 -175.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.69 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 62.3 mttm -95.09 158.13 15.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 119.58 -0.248 . . . . 0.0 110.441 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -82.04 132.12 35.25 Favored 'General case' 0 N--CA 1.441 -0.895 0 O-C-N 124.109 0.881 . . . . 0.0 110.18 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.6 mt -74.39 137.4 74.82 Favored Pre-proline 0 N--CA 1.451 -0.389 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.201 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.25 146.94 96.84 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 122.579 2.186 . . . . 0.0 112.121 175.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.41 96.47 6.05 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -175.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.48 -23.13 0.43 Allowed Glycine 0 C--N 1.306 -1.118 0 CA-C-N 113.899 -1.5 . . . . 0.0 109.806 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -107.73 146.44 32.11 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -126.45 139.83 52.94 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.78 126.08 28.8 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.8 -15.48 2.06 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.224 0.535 . . . . 0.0 111.858 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.841 ' HA3' ' HB ' ' A' ' 14' ' ' VAL . . . -109.52 -176.75 21.27 Favored Glycine 0 N--CA 1.439 -1.148 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.619 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -80.18 170.55 16.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.744 0.307 . . . . 0.0 110.557 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.443 ' HB3' ' HG3' ' A' ' 27' ' ' GLU . 4.7 m -122.54 149.22 44.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.671 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.15 -149.84 20.03 Favored Glycine 0 C--O 1.222 -0.614 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.12 161.23 19.44 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.615 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 88.2 tttt -63.64 -47.38 81.55 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.082 -175.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -61.54 -34.44 75.56 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.879 -179.167 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 35.4 t70 -68.37 -37.47 80.47 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.804 0.811 . . . . 0.0 110.312 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 77.0 m -70.43 -40.51 73.76 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.128 176.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 84.3 mt -60.07 -42.31 94.26 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 121.29 0.567 . . . . 0.0 110.788 176.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.4 -40.16 77.68 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.912 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.562 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 68.2 t80 -57.13 -42.64 81.33 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.304 176.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.541 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.7 mp -60.47 -34.75 59.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-O 121.272 0.558 . . . . 0.0 110.272 -177.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.43 -43.09 99.66 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.5 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.608 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 21.9 mm-40 -45.68 -62.96 1.08 Allowed 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.909 0.755 . . . . 0.0 112.762 -174.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.608 ' C ' ' HB2' ' A' ' 53' ' ' GLU . 2.2 p . . . . . 0 N--CA 1.483 1.192 0 CA-C-N 121.981 2.173 . . . . 0.0 110.507 -1.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.789 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 88.9 mt-30 . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.683 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 97.9 m-85 -122.02 177.17 5.43 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 122.443 1.116 . . . . 0.0 111.661 -174.401 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -138.91 146.4 41.03 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 113.733 -1.576 . . . . 0.0 106.956 169.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.36 121.23 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.843 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.619 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.437 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 16.4 m -114.76 146.71 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-O 121.256 0.55 . . . . 0.0 110.787 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -118.77 134.59 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-O 121.158 0.504 . . . . 0.0 110.474 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -89.15 168.39 12.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.74 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -71.26 2.06 5.25 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 121.178 0.513 . . . . 0.0 111.623 -175.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -104.73 9.1 35.15 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.455 0.645 . . . . 0.0 109.822 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 59.6 48.97 8.91 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.177 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -116.54 130.06 56.54 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.707 170.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -92.24 147.81 22.64 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.762 0.791 . . . . 0.0 111.781 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.9 m -149.92 170.25 19.26 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.2 pt -120.49 128.99 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.929 0 CA-C-O 121.234 0.54 . . . . 0.0 110.93 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 47.3 t-105 -118.18 132.09 23.9 Favored Pre-proline 0 C--N 1.309 -1.183 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.168 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 52.2 Cg_exo -56.39 116.15 2.98 Favored 'Trans proline' 0 C--N 1.334 -0.218 0 C-N-CA 121.913 1.742 . . . . 0.0 112.232 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -51.54 -26.7 9.02 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -61.1 -39.99 92.04 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.405 0.622 . . . . 0.0 110.873 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -96.19 153.32 17.86 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.525 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -81.8 135.17 35.47 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.25 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 23.9 pt -72.97 155.52 90.41 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 121.217 0.532 . . . . 0.0 111.385 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -85.4 159.3 11.05 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 123.202 2.601 . . . . 0.0 111.55 174.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -64.79 130.14 42.41 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.204 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.78 -16.48 8.9 Favored Glycine 0 C--N 1.31 -0.879 0 C-N-CA 120.253 -0.975 . . . . 0.0 111.801 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.437 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 91.4 m95 -107.94 144.99 34.45 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.051 0.453 . . . . 0.0 110.034 175.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -118.03 133.8 55.57 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 116.334 -0.394 . . . . 0.0 109.978 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.25 124.77 28.3 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -173.57 102.61 0.12 Allowed 'General case' 0 C--O 1.242 0.677 0 CA-C-O 121.135 0.493 . . . . 0.0 111.425 -170.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.58 -89.09 0.14 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.273 -0.965 . . . . 0.0 113.367 174.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -136.86 132.18 34.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.095 0.474 . . . . 0.0 110.296 -175.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 m -118.84 117.96 30.27 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.932 175.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.34 -150.49 10.17 Favored Glycine 0 CA--C 1.501 -0.786 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.789 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -92.88 176.58 6.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.763 0.782 . . . . 0.0 111.566 178.494 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -46.54 -51.34 15.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.872 0.869 . . . . 0.0 113.267 -174.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HD2' ' C ' ' A' ' 45' ' ' LYS . 1.1 tmmt? -62.76 -47.09 85.05 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.26 -0.176 . . . . 0.0 111.303 -174.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -70.0 -32.79 71.14 Favored 'General case' 0 CA--C 1.508 -0.671 0 O-C-N 123.571 0.545 . . . . 0.0 110.773 -175.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 51.8 m -66.05 -53.35 39.48 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.921 0.867 . . . . 0.0 110.146 176.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.6 tp -55.57 -49.55 72.44 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.256 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.687 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -52.14 -41.22 62.35 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 123.957 0.786 . . . . 0.0 111.386 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.508 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 76.2 t80 -59.67 -47.7 84.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.401 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.596 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.9 mp -68.8 -38.21 78.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 O-C-N 121.44 -0.788 . . . . 0.0 111.633 -171.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.71 -36.96 85.59 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.443 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.687 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 52.4 mm-40 -50.04 -62.98 1.26 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.596 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.7 p . . . . . 0 CA--C 1.542 0.643 0 CA-C-N 121.436 1.926 . . . . 0.0 110.786 -2.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.7 ' N ' ' HH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.339 0 CA-C-O 121.588 0.709 . . . . 0.0 110.344 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -121.57 172.86 7.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.354 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 4.8 pt20 -145.19 152.78 40.55 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.077 -0.965 . . . . 0.0 108.683 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.75 129.68 44.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.871 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.9 m -114.49 141.57 30.42 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 C-N-CA 119.963 -0.695 . . . . 0.0 110.028 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 13.9 p -121.67 138.26 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.549 -177.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.51 ' HB3' ' HB3' ' A' ' 21' ' ' GLN . 61.9 t30 -90.87 164.34 14.08 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 175.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -73.93 16.05 0.25 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.145 0.498 . . . . 0.0 111.227 -176.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -102.56 5.11 39.14 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 170.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 63.78 41.89 6.56 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -171.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.514 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 59.7 tp60 -94.06 120.14 33.9 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.004 -177.609 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -95.59 128.54 42.54 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.846 0.355 . . . . 0.0 111.741 -175.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -148.16 170.27 18.2 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 pt -119.03 149.48 21.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 O-C-N 121.993 -0.442 . . . . 0.0 110.434 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.431 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 68.1 t-105 -147.27 138.74 13.39 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.97 132.71 53.89 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.744 2.296 . . . . 0.0 112.09 175.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -71.28 -25.82 62.61 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.791 0.329 . . . . 0.0 111.295 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.7 ' HH ' ' N ' ' A' ' 11' ' ' GLN . 6.5 m-85 -64.91 -27.61 68.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.418 0.627 . . . . 0.0 110.817 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -96.2 147.86 23.31 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.478 -175.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -68.51 143.39 54.98 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.2 mt -69.4 129.88 91.3 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -56.45 148.14 64.51 Favored 'Trans proline' 0 C--O 1.243 0.763 0 C-N-CA 122.801 2.334 . . . . 0.0 113.176 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -64.93 121.13 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.371 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.5 -20.79 7.33 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.797 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -105.51 155.1 19.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.039 0.447 . . . . 0.0 110.099 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.54 ' HA ' ' HE ' ' A' ' 36' ' ' ARG . 2.3 tpm_? -125.02 144.13 50.55 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.99 131.04 44.74 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 121.109 0.481 . . . . 0.0 110.9 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.01 112.14 23.37 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.85 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.53 87.93 0.01 OUTLIER Glycine 0 N--CA 1.471 0.972 0 O-C-N 124.709 1.256 . . . . 0.0 115.822 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.747 ' HG2' ' HB2' ' A' ' 50' ' ' TYR . 46.9 tptt -170.85 98.07 0.22 Allowed 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 171.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 p -130.81 149.81 52.27 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 123.541 0.526 . . . . 0.0 110.518 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.07 -143.7 10.23 Favored Glycine 0 C--N 1.308 -0.999 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.474 ' HB2' ' HE3' ' A' ' 45' ' ' LYS . 4.1 mm? -68.2 153.07 44.48 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.105 176.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.489 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 53.4 tttm -51.69 -40.87 60.88 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.192 0.597 . . . . 0.0 110.727 -176.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.64 -32.4 71.57 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -179.363 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.43 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 38.3 t70 -69.57 -37.59 77.05 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.257 0.551 . . . . 0.0 110.477 -177.247 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.8 m -71.64 -37.42 70.84 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-O 121.322 0.582 . . . . 0.0 109.875 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 78.9 mt -61.98 -42.98 99.74 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.946 176.084 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HA ' ' OE2' ' A' ' 52' ' ' GLU . . . -57.04 -40.72 77.33 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.225 177.124 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.747 ' HB2' ' HG2' ' A' ' 40' ' ' LYS . 89.9 t80 -53.7 -49.47 67.98 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 123.673 0.608 . . . . 0.0 111.478 176.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.674 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.8 mp -61.08 -35.08 63.03 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 121.312 0.577 . . . . 0.0 110.417 -179.244 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.443 ' OE2' ' HA ' ' A' ' 49' ' ' ALA . 49.4 mt-10 -59.29 -44.5 92.49 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.671 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.524 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 23.6 mm-40 -45.52 -62.76 1.15 Allowed 'General case' 0 N--CA 1.475 0.784 0 O-C-N 124.703 1.252 . . . . 0.0 113.546 -174.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.6 p . . . . . 0 N--CA 1.465 0.298 0 CA-C-N 121.445 1.929 . . . . 0.0 109.921 -3.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mtp . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 t -98.41 153.77 18.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.938 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 m -107.32 15.89 24.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.792 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.8 -46.87 93.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.221 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.418 ' HD2' ' HD2' ' A' ' 7' ' ' ARG . 74.4 t80 65.92 114.93 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.371 1.044 . . . . 0.0 110.541 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.8 115.16 20.16 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.646 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -140.88 53.81 1.58 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.012 0.434 . . . . 0.0 109.908 177.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.25 65.65 2.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.486 -174.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -105.95 110.15 22.34 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.417 HG13 ' HE2' ' A' ' 28' ' ' TYR . 14.6 tt -97.43 114.11 33.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -96.16 149.04 22.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.123 0.964 . . . . 0.0 111.49 -173.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -130.36 178.51 6.53 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 113.812 -1.54 . . . . 0.0 108.589 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -145.47 159.26 43.36 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.019 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.482 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 82.8 t -96.33 127.77 48.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.0 m -116.21 145.42 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-O 121.207 0.527 . . . . 0.0 111.186 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.0 p -120.4 133.96 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-O 121.506 0.67 . . . . 0.0 110.451 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.644 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 44.3 t30 -89.7 170.16 10.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.793 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -69.11 -4.02 15.65 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 121.08 0.466 . . . . 0.0 111.514 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.32 9.85 41.18 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 171.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 53.59 39.13 29.69 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 124.036 0.934 . . . . 0.0 112.431 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.644 ' HG2' ' HB3' ' A' ' 17' ' ' ASN . 20.9 pt20 -96.99 148.04 23.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.005 174.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.426 ' CE2' HG11 ' A' ' 54' ' ' VAL . 50.2 m-85 -108.75 122.79 47.89 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.49 0.662 . . . . 0.0 110.548 -173.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -131.84 173.76 10.84 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -177.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.6 pt -113.21 151.35 15.1 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 CA-C-O 121.041 0.448 . . . . 0.0 110.242 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 64.2 t-105 -147.82 136.47 11.42 Favored Pre-proline 0 N--CA 1.446 -0.639 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 33.1 Cg_exo -63.58 140.24 74.25 Favored 'Trans proline' 0 N--CA 1.479 0.662 0 C-N-CA 122.163 1.909 . . . . 0.0 112.501 178.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -61.66 -25.69 67.54 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.72 0.772 . . . . 0.0 111.842 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.417 ' HE2' HG13 ' A' ' 10' ' ' ILE . 6.6 m-85 -87.94 -4.19 58.85 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.316 -172.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -111.38 146.11 37.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.43 0.633 . . . . 0.0 110.306 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.19 138.17 45.5 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.969 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.3 mt -76.33 136.24 68.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -58.97 140.75 96.74 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 121.95 1.767 . . . . 0.0 110.813 174.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -63.63 122.26 15.93 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.969 0.793 . . . . 0.0 110.795 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.47 -13.32 7.38 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.531 -176.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -117.49 162.64 17.65 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -142.12 161.8 37.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.92 141.52 34.45 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.204 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -149.92 164.38 35.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.505 -178.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.1 -125.16 9.46 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.193 -1.003 . . . . 0.0 112.465 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -127.36 145.73 50.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.526 -0.337 . . . . 0.0 111.007 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 m -103.26 147.36 27.15 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.81 -145.18 10.16 Favored Glycine 0 C--O 1.217 -0.958 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.55 -176.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.437 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 3.2 mm? -74.06 168.6 19.2 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 117.133 0.466 . . . . 0.0 110.22 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.624 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 28.9 ttpp -62.35 -41.64 98.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.089 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.24 -31.98 70.71 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 123.606 0.566 . . . . 0.0 112.004 177.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.433 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 24.1 m-20 -67.58 -37.82 83.17 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.45 0.643 . . . . 0.0 110.49 176.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.415 ' O ' HD13 ' A' ' 51' ' ' ILE . 63.0 m -72.75 -41.62 64.91 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.568 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 69.1 mt -59.66 -51.2 70.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.893 0.378 . . . . 0.0 110.503 178.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -57.18 -45.77 83.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.679 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.569 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 87.4 t80 -57.92 -51.53 69.24 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 123.954 0.784 . . . . 0.0 112.386 -178.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.7 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.7 mp -61.51 -33.88 59.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 CA-C-O 121.023 0.439 . . . . 0.0 110.707 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.77 -43.61 94.25 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.209 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.668 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 4.3 mm-40 -49.18 -61.07 2.28 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -174.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.7 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.8 p -86.74 -28.3 5.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 O-C-N 119.153 -2.217 . . . . 0.0 108.236 -5.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -112.99 151.86 30.11 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 157.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.438 ' HB ' ' HB3' ' A' ' 53' ' ' GLU . 10.0 t -141.78 137.3 31.47 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.503 -174.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -140.62 -37.8 0.45 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.117 0.567 . . . . 0.0 110.726 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 81.3 mtp -88.33 -51.0 5.98 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.477 0.656 . . . . 0.0 110.474 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -154.46 131.21 5.85 Favored Pre-proline 0 N--CA 1.442 -0.844 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.562 -173.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -78.68 96.2 1.09 Allowed 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.123 1.882 . . . . 0.0 111.11 173.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.645 HD21 ' O ' ' A' ' 53' ' ' GLU . 0.3 OUTLIER -72.45 0.84 9.17 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -175.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.0 p -62.4 -9.28 7.83 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.688 0.756 . . . . 0.0 109.924 168.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 64' ' ' ARG . 4.6 pp -60.96 -25.55 66.91 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.701 175.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 39.4 ptt180 -71.68 -17.7 62.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.961 0.41 . . . . 0.0 110.384 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.559 ' CB ' ' HA ' ' A' ' 71' ' ' ALA . 11.3 mm-40 -87.43 -0.43 56.78 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.907 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -81.48 -18.56 44.76 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 172.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 24.4 mmt -73.59 -36.08 65.48 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.175 173.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.43 -72.58 0.16 Allowed 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.296 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -146.86 -77.08 0.18 Allowed 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.28 26.75 0.86 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -174.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.559 ' HA ' ' CB ' ' A' ' 65' ' ' GLN . . . 66.11 22.6 11.09 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.106 0.479 . . . . 0.0 111.887 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.851 0 CA-C-O 117.963 -1.465 . . . . 0.0 112.226 179.694 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.825 0.345 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 m -132.9 114.69 14.34 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.134 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 m -76.17 88.28 3.05 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.7 p -53.13 -52.16 32.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.91 -174.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.1 t80 179.75 89.53 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.456 0.646 . . . . 0.0 109.831 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -106.74 124.23 49.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.918 177.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -89.83 -50.77 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.527 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -85.79 -41.83 14.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.491 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.62 ' HA ' ' HE3' ' A' ' 44' ' ' LYS . 6.5 t70 -84.08 85.24 7.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.953 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.3 pt -90.08 -162.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.059 -177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.518 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 2.6 mp0 -95.62 121.71 37.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.605 0.717 . . . . 0.0 110.622 -174.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -124.87 177.22 6.13 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.73 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -149.04 153.48 37.92 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.528 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 47.7 t -92.06 129.21 43.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 16.6 m -114.18 138.69 43.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.325 0.583 . . . . 0.0 110.569 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' A' ' 20' ' ' GLU . 8.0 p -117.41 130.81 71.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.728 0.775 . . . . 0.0 109.572 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -79.77 170.42 16.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.307 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -68.78 -1.61 7.49 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.874 0.845 . . . . 0.0 110.885 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -111.02 16.3 21.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.138 174.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 12.7 pt-20 49.58 49.1 20.53 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 122.918 1.342 . . . . 0.0 110.85 -177.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 3.1 tp-100 -92.85 128.68 38.8 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.157 172.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -96.76 136.92 36.62 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.007 0.432 . . . . 0.0 111.834 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -154.3 173.2 16.49 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.196 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 pt -112.3 144.68 19.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -143.75 135.99 13.27 Favored Pre-proline 0 C--N 1.316 -0.89 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -59.53 127.37 23.52 Favored 'Trans proline' 0 CA--C 1.516 -0.378 0 C-N-CA 122.023 1.815 . . . . 0.0 111.506 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' A' ' 11' ' ' GLN . 5.6 pt-20 -70.75 -14.93 62.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.057 0.456 . . . . 0.0 111.468 -172.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -65.65 -32.75 74.49 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.718 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -103.0 157.31 17.07 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.829 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -75.71 150.91 37.75 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.893 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.432 HD11 ' HB2' ' A' ' 37' ' ' ALA . 42.1 mt -77.69 135.7 63.97 Favored Pre-proline 0 C--N 1.322 -0.617 0 C-N-CA 123.235 0.614 . . . . 0.0 110.38 -176.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -57.17 143.6 92.82 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 122.257 1.971 . . . . 0.0 111.202 172.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -68.05 122.02 17.35 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.24 -20.33 5.61 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -173.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.429 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 36.3 m95 -118.09 159.81 22.59 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 124.604 0.826 . . . . 0.0 109.004 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -136.24 152.15 50.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.994 0.184 . . . . 0.0 110.523 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.432 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -73.13 134.07 44.34 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.67 0.272 . . . . 0.0 110.747 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.528 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -153.85 167.37 29.9 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -177.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.68 -105.04 1.64 Allowed Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 114.944 0.738 . . . . 0.0 114.944 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.413 ' HD2' ' O ' ' A' ' 46' ' ' ASP . 63.4 mttm -128.62 141.23 51.42 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.075 0.464 . . . . 0.0 111.129 -175.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 t -123.6 117.0 24.03 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 173.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' A' ' 11' ' ' GLN . . . 172.45 -130.02 1.83 Allowed Glycine 0 CA--C 1.494 -1.28 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.973 -173.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.453 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 4.0 mm? -75.41 156.65 35.14 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.745 0.273 . . . . 0.0 110.852 178.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.623 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 27.7 ttpp -59.91 -41.28 91.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.049 0.452 . . . . 0.0 110.942 -178.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.453 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -63.31 -30.65 71.75 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.616 -179.135 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.413 ' O ' ' HD2' ' A' ' 40' ' ' LYS . 20.9 m-20 -72.48 -35.54 68.23 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.346 1.029 . . . . 0.0 110.529 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.7 m -73.26 -44.78 58.72 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.889 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 66.2 mt -55.98 -44.06 78.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.403 0.62 . . . . 0.0 110.343 176.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.16 -48.7 67.77 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.379 177.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.544 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 92.3 t80 -54.67 -46.27 74.03 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.426 -177.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.687 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 2.0 mp -64.36 -34.89 72.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.495 -176.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.1 -42.09 99.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.08 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 16.2 mm-40 -46.49 -60.96 2.03 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -172.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.687 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.9 p -99.46 -42.25 10.43 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 CA-C-N 120.703 1.592 . . . . 0.0 111.456 -3.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.9 t90 -112.51 30.84 6.77 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.6 t -133.54 138.17 45.93 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.792 -175.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -122.01 79.29 1.57 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.037 0.446 . . . . 0.0 109.851 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 66.6 mtt -130.05 -48.12 1.12 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -134.48 79.01 55.41 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.534 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -62.3 164.8 16.52 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.496 2.131 . . . . 0.0 112.945 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.718 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 56.5 tp -68.04 -10.34 52.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.66 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 p -54.83 -52.47 62.63 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.795 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.1 pt? -91.56 -14.76 29.75 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.565 0.541 . . . . 0.0 109.627 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.718 ' HB3' ' HA ' ' A' ' 61' ' ' LEU . 70.0 ttt180 -75.33 -35.13 61.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.153 0.501 . . . . 0.0 110.904 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.609 ' OE1' ' HG2' ' A' ' 67' ' ' MET . 6.0 tp-100 -78.06 102.48 7.47 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.118 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -100.92 -34.6 9.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.19 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.609 ' HG2' ' OE1' ' A' ' 65' ' ' GLN . 26.8 ptm -74.39 -16.31 60.89 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -173.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 13.0 t70 -139.74 123.11 17.09 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-O 121.249 0.547 . . . . 0.0 110.89 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -166.06 169.69 14.3 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.49 -36.59 78.7 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 123.595 0.559 . . . . 0.0 110.648 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.21 110.15 11.67 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.428 174.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.618 0 CA-C-O 119.291 -0.727 . . . . 0.0 111.805 -178.08 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.93 0.395 . . . . 0.0 111.355 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.9 m -105.28 127.27 52.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 121.957 -0.464 . . . . 0.0 111.29 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.515 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 8.9 t -112.48 -171.44 1.86 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 178.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.0 m -87.2 -30.24 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.105 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -174.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -139.9 11.82 2.44 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' A' ' 3' ' ' SER . 33.1 t70 -81.72 86.28 6.46 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.493 0.663 . . . . 0.0 111.282 -176.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.6 tpt85 -134.5 -58.4 0.83 Allowed 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.84 171.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -125.0 31.23 5.68 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -72.83 -34.21 66.68 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.605 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.677 HG13 ' HE1' ' A' ' 28' ' ' TYR . 5.8 tt -48.08 112.85 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.38 172.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -92.77 161.72 14.41 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.253 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.473 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 97.0 m-85 -135.35 -179.95 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.712 0.768 . . . . 0.0 110.45 -177.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 25.1 pt20 -150.81 160.51 43.82 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.162 -0.926 . . . . 0.0 108.526 176.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.602 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 61.2 t -90.17 125.19 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.081 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.9 m -125.24 157.76 33.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.491 HG13 ' HD3' ' A' ' 36' ' ' ARG . 3.9 p -136.93 136.56 47.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.442 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -98.58 -168.06 1.59 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.674 -173.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -65.79 -29.32 69.8 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.385 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -81.82 9.19 8.46 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.445 0.64 . . . . 0.0 111.031 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 59.75 27.04 16.26 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.372 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 59.8 tt0 -84.74 132.12 34.48 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.908 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -86.29 123.08 31.15 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.5 m -142.4 177.0 8.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.082 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.1 pt -116.57 144.91 23.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.519 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 75.0 t-105 -138.14 132.87 17.09 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.754 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 9.0 Cg_endo -51.83 138.35 51.09 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.305 2.004 . . . . 0.0 112.982 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.42 -37.83 80.67 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.905 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.677 ' HE1' HG13 ' A' ' 10' ' ' ILE . 48.2 p90 -71.17 -19.14 62.45 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.398 -176.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.754 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 97.1 mttt -89.82 153.29 20.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.25 0.548 . . . . 0.0 110.18 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -78.01 135.94 37.86 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.581 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -66.1 126.69 92.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.528 ' HB2' ' CD1' ' A' ' 35' ' ' TRP . 65.0 Cg_exo -54.32 153.14 23.21 Favored 'Trans proline' 0 C--O 1.242 0.692 0 C-N-CA 122.603 2.202 . . . . 0.0 111.938 177.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -76.87 123.24 25.96 Favored 'General case' 0 N--CA 1.435 -1.198 0 O-C-N 121.752 -0.593 . . . . 0.0 109.827 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.59 -17.58 15.9 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -173.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.528 ' CD1' ' HB2' ' A' ' 32' ' ' PRO . 30.5 m95 -108.23 155.48 20.42 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.491 ' HD3' HG13 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -144.9 156.5 44.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 172.694 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.83 138.38 36.22 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 123.903 0.752 . . . . 0.0 111.068 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.602 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -133.59 143.79 48.89 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 122.818 0.447 . . . . 0.0 110.077 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.5 -97.82 2.05 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.015 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -167.84 175.09 7.06 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.171 0.51 . . . . 0.0 111.177 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.6 t -113.37 157.04 22.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.882 -176.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.17 -148.71 15.04 Favored Glycine 0 C--O 1.224 -0.498 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.73 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 43' ' ' LEU . 3.7 mm? -75.28 161.92 28.89 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 122.406 -0.467 . . . . 0.0 111.024 176.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.523 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 1.7 ttmp? -54.87 -48.59 72.75 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.451 0.469 . . . . 0.0 111.719 -174.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -59.23 -29.27 67.39 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 123.519 0.512 . . . . 0.0 111.704 -176.531 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.5 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 23.5 t70 -73.74 -36.97 65.22 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-O 121.553 0.692 . . . . 0.0 110.478 179.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.8 m -70.39 -50.38 39.28 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.326 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 63.4 mt -55.99 -45.83 78.9 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 122.015 0.912 . . . . 0.0 110.85 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.63 -42.0 67.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.227 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -55.49 -47.89 75.44 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 123.901 0.75 . . . . 0.0 112.138 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.598 ' HA ' HG23 ' A' ' 54' ' ' VAL . 3.4 mp -68.94 -34.99 67.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 120.561 0.219 . . . . 0.0 111.097 -175.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.7 -43.47 97.76 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.207 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 30.0 mm-40 -44.95 -62.62 1.16 Allowed 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 118.052 -0.975 . . . . 0.0 113.6 -174.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.598 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.0 p -93.22 -31.76 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 121.718 2.054 . . . . 0.0 111.126 -2.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.644 ' O ' HG23 ' A' ' 56' ' ' THR . 72.4 m95 -75.77 -51.44 12.62 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 121.678 -0.638 . . . . 0.0 111.766 -177.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 55' ' ' TRP . 0.7 OUTLIER 175.16 48.42 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.886 -168.527 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.496 ' CG ' ' H ' ' A' ' 58' ' ' MET . 6.9 t70 175.54 -156.17 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.636 -0.665 . . . . 0.0 110.423 -174.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.496 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 68.3 mtm -122.66 -72.15 0.7 Allowed 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 176.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.405 ' HB3' ' HD2' ' A' ' 60' ' ' PRO . 99.4 mtt180 64.14 172.53 0.08 OUTLIER Pre-proline 0 N--CA 1.469 0.502 0 O-C-N 124.551 1.157 . . . . 0.0 111.324 177.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.423 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 29.9 Cg_exo -63.16 106.58 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 121.818 1.679 . . . . 0.0 111.599 172.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.0 mp -58.22 -22.02 50.25 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.0 p -58.5 -20.72 48.21 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.724 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 60' ' ' PRO . 4.5 pp -70.74 -21.11 62.57 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 121.95 -0.469 . . . . 0.0 110.298 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -76.55 -27.46 55.91 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.534 -0.466 . . . . 0.0 109.826 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -76.99 -18.98 57.86 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.242 174.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -77.25 -29.94 54.25 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 87.9 mmm -74.64 -29.51 61.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.464 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -72.13 112.4 8.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.419 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -123.14 -174.81 3.03 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -171.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 59.0 -81.7 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.823 0.849 . . . . 0.0 112.217 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.11 -9.5 58.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.233 0 CA-C-O 118.847 -0.974 . . . . 0.0 112.361 176.751 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 ttm . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 121.135 0.493 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.8 m -86.89 109.2 19.16 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.388 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -139.52 19.97 2.54 Favored 'General case' 0 C--N 1.312 -1.062 0 O-C-N 122.294 -0.253 . . . . 0.0 110.537 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.37 -42.26 90.26 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.979 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 79.3 t80 61.89 -70.1 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.967 0.907 . . . . 0.0 111.402 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -100.77 105.34 16.65 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.347 0.594 . . . . 0.0 110.578 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -118.71 2.37 11.67 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 176.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -94.97 106.94 18.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.847 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -108.18 111.81 23.99 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 tt -179.29 137.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 O-C-N 123.814 0.697 . . . . 0.0 109.869 -178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -105.51 140.49 38.53 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.169 0.509 . . . . 0.0 111.075 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -123.85 167.17 14.43 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.431 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -144.28 161.91 37.73 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.471 ' HB ' ' HB3' ' A' ' 38' ' ' ALA . 23.3 t -98.91 127.34 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.207 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 m -115.89 148.44 18.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.419 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 p -141.56 148.09 21.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.327 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.518 ' C ' ' H ' ' A' ' 19' ' ' GLU . 55.8 t30 -104.58 162.88 12.89 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -69.68 24.06 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' A' ' 17' ' ' ASN . 7.8 tp10 -112.2 -2.22 14.99 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 173.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 31.7 tt0 65.33 29.99 11.29 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.963 -177.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -96.65 111.56 23.66 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -86.44 139.7 30.66 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 121.172 0.51 . . . . 0.0 110.667 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t -141.35 168.5 19.62 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.418 HG22 ' SG ' ' A' ' 47' ' ' CYS . 36.8 pt -108.51 143.55 18.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.436 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 35.2 t-105 -150.21 141.17 14.6 Favored Pre-proline 0 C--N 1.32 -0.678 0 O-C-N 123.568 0.542 . . . . 0.0 109.705 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 31.9 Cg_exo -59.79 143.73 99.57 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.774 2.316 . . . . 0.0 111.077 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -70.74 -43.31 69.11 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.417 0.627 . . . . 0.0 110.934 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -75.01 -12.3 60.3 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 121.742 0.782 . . . . 0.0 110.894 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -92.92 136.65 33.06 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.306 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -72.5 139.47 47.64 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 121.335 -0.853 . . . . 0.0 110.367 -176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.92 141.03 97.41 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.988 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HB2' ' CD1' ' A' ' 35' ' ' TRP . 31.3 Cg_exo -57.89 141.57 96.01 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 121.922 1.748 . . . . 0.0 110.742 175.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -61.53 102.56 0.25 Allowed 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.953 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.14 -18.22 4.48 Favored Glycine 0 C--N 1.318 -0.458 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.964 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.439 ' CD1' ' HB2' ' A' ' 32' ' ' PRO . 52.9 m95 -97.17 161.38 13.84 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -131.62 151.24 51.77 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.62 128.32 35.19 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.663 0.602 . . . . 0.0 110.875 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . . . -76.42 -20.43 57.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.44 -178.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.26 -77.53 0.39 Allowed Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.961 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -59.78 112.62 1.9 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.568 0.699 . . . . 0.0 111.37 -175.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -124.28 132.0 53.55 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.629 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.97 -139.88 2.99 Favored Glycine 0 C--O 1.213 -1.169 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -177.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.656 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 4.2 mm? -79.51 177.18 9.06 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.388 177.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.62 ' HE2' HD21 ' A' ' 48' ' ' LEU . 23.5 tptm -57.86 -47.22 83.36 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.69 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.656 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.55 -30.77 69.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.805 -178.198 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.473 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 34.0 m-20 -69.52 -41.28 76.21 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.684 0.615 . . . . 0.0 110.027 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' O ' HG12 ' A' ' 51' ' ' ILE . 50.0 t -67.18 -45.58 76.53 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 123.882 0.739 . . . . 0.0 109.814 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.62 HD21 ' HE2' ' A' ' 44' ' ' LYS . 78.2 mt -56.91 -45.59 82.55 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.145 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -57.68 -47.21 82.97 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.948 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -58.32 -43.88 88.39 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.559 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.594 ' HA ' HG23 ' A' ' 54' ' ' VAL . 14.8 mm -69.88 -34.74 61.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.644 0.735 . . . . 0.0 111.138 -174.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.79 -40.33 92.2 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.452 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.507 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 8.5 mm-40 -46.98 -61.29 1.94 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -175.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.594 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.5 p -93.69 -38.79 10.06 Favored 'Isoleucine or valine' 0 C--N 1.345 0.392 0 C-N-CA 125.793 1.637 . . . . 0.0 110.855 -2.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -147.89 18.7 1.13 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 122.051 0.929 . . . . 0.0 108.741 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.2 t -50.75 112.7 0.75 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.718 1.246 . . . . 0.0 112.998 -171.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -69.2 -36.43 77.28 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 114.291 -1.322 . . . . 0.0 112.097 -172.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.9 mtp -127.62 -50.56 1.38 Allowed 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 121.836 -0.54 . . . . 0.0 112.41 -176.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -65.25 152.51 91.63 Favored Pre-proline 0 C--O 1.216 -0.707 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.341 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.9 -161.41 0.15 Allowed 'Trans proline' 0 CA--C 1.51 -0.716 0 C-N-CA 122.049 1.833 . . . . 0.0 110.135 168.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.98 0.19 7.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.232 1.015 . . . . 0.0 111.46 176.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -65.66 -8.07 18.57 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.221 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -68.24 -10.4 54.31 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 121.729 0.776 . . . . 0.0 109.87 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.71 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 1.2 tpm_? -67.78 -24.82 65.37 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.517 175.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.418 ' HG3' ' HB3' ' A' ' 70' ' ' ALA . 25.0 mm-40 65.81 101.09 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.301 1.0 . . . . 0.0 111.77 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -91.82 -69.76 0.72 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.377 0.608 . . . . 0.0 110.787 -176.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.57 2.55 50.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.368 0.604 . . . . 0.0 110.823 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -82.28 -176.88 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.626 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -120.15 108.64 14.48 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.418 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . . . -160.34 138.28 9.84 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.482 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.44 31.71 20.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.701 0.626 . . . . 0.0 111.779 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.463 0 CA-C-O 118.0 -1.444 . . . . 0.0 112.288 -179.722 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.471 0.6 0 CA-C-O 120.688 0.28 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.7 m -112.97 118.45 34.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.408 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 p -115.58 23.42 12.36 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.486 0.66 . . . . 0.0 109.406 174.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.9 -29.1 5.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.51 -173.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -72.57 -35.41 67.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.454 0.645 . . . . 0.0 109.332 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.85 120.84 9.76 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.233 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.405 ' C ' ' H ' ' A' ' 9' ' ' ASP . 30.6 ptt180 -74.75 -8.82 57.57 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.675 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 t70 75.07 -31.93 0.22 Allowed 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.165 175.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER 64.49 36.76 8.52 Favored 'General case' 0 CA--C 1.503 -0.844 0 O-C-N 124.541 1.151 . . . . 0.0 110.361 -174.81 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 tp -85.4 102.19 10.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.694 174.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -93.76 152.52 18.88 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -125.66 177.01 6.49 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.774 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 20.5 pt20 -139.65 142.79 36.98 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 174.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.5 HG11 ' CE2' ' A' ' 50' ' ' TYR . 58.1 t -86.55 123.74 39.92 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.83 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 -179.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 m -116.34 154.08 17.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-O 121.515 0.674 . . . . 0.0 109.313 -178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 12.5 p -122.59 137.22 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-O 121.306 0.574 . . . . 0.0 110.584 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -77.97 156.54 30.14 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -64.53 -8.38 13.69 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.447 0.641 . . . . 0.0 111.161 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -106.66 17.28 23.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.872 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 67.78 57.29 0.53 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.074 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.529 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 45.1 tp60 -120.46 127.22 52.02 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -102.62 137.4 40.89 Favored 'General case' 0 C--N 1.311 -1.09 0 O-C-N 122.115 -0.366 . . . . 0.0 110.213 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.3 t -154.24 -177.14 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.574 HD13 ' SG ' ' A' ' 47' ' ' CYS . 28.7 pt -126.31 143.19 40.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-O 121.276 0.56 . . . . 0.0 111.058 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.447 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 52.9 t-105 -134.23 138.51 30.54 Favored Pre-proline 0 N--CA 1.441 -0.897 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 25' ' ' TRP . 1.5 Cg_endo -44.46 124.63 5.41 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.876 2.384 . . . . 0.0 111.375 176.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.31 -39.78 88.2 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 124.113 0.883 . . . . 0.0 111.113 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.64 0.68 45.86 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 123.487 0.492 . . . . 0.0 111.227 -178.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -102.22 147.03 27.14 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.62 134.87 42.02 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 59.6 mt -70.91 132.26 86.87 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.25 177.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 20.5 Cg_exo -67.71 155.46 69.93 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.537 2.158 . . . . 0.0 111.583 175.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -65.79 141.83 58.17 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.284 0.564 . . . . 0.0 110.467 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.63 -26.73 12.35 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -112.19 160.47 17.56 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -141.98 157.7 44.63 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.963 0.411 . . . . 0.0 110.139 175.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.58 136.47 38.27 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.569 -175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.01 -139.65 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.201 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.71 36.09 2.35 Favored Glycine 0 C--N 1.311 -0.825 0 C-N-CA 120.292 -0.956 . . . . 0.0 113.413 -176.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.532 ' HE3' ' HB3' ' A' ' 46' ' ' ASP . 0.8 OUTLIER -156.97 113.18 2.97 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 121.133 0.492 . . . . 0.0 109.786 178.76 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 t -111.45 147.32 35.52 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.682 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.22 174.42 36.34 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.233 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.521 HD23 ' OD2' ' A' ' 46' ' ' ASP . 2.6 pt? -78.86 -178.96 6.3 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.515 -177.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.71 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 17.7 ptpt -52.65 -36.12 56.18 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -174.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -56.05 -49.12 74.63 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.249 0.547 . . . . 0.0 110.317 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.532 ' HB3' ' HE3' ' A' ' 40' ' ' LYS . 55.2 m-20 -61.26 -33.17 73.09 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.182 177.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.574 ' SG ' HD13 ' A' ' 24' ' ' ILE . 1.1 t -71.05 -53.64 14.0 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 122.962 0.505 . . . . 0.0 109.982 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 33.1 mt -51.32 -51.38 54.88 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 124.295 0.997 . . . . 0.0 110.617 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.2 -51.49 67.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.69 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.505 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 61.7 t80 -53.81 -53.08 57.43 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.284 0.99 . . . . 0.0 112.67 -176.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.616 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -60.26 -35.9 65.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.55 -41.64 92.78 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.552 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 5.4 mm-40 -47.04 -59.48 3.1 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -175.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.616 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.1 p -94.14 -46.12 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 120.81 1.641 . . . . 0.0 110.428 -3.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 36.6 t90 -150.7 17.31 0.8 Allowed 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 p -116.69 -35.71 4.12 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.084 -1.416 . . . . 0.0 112.808 -168.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -118.17 145.64 44.79 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.937 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.427 ' O ' ' HD3' ' A' ' 60' ' ' PRO . 39.4 tpp -84.87 -6.35 59.34 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 170.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -83.27 104.11 3.42 Favored Pre-proline 0 C--N 1.317 -0.844 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 172.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 58' ' ' MET . 14.5 Cg_exo -71.02 129.65 16.59 Favored 'Trans proline' 0 CA--C 1.513 -0.526 0 C-N-CA 121.381 1.387 . . . . 0.0 111.538 -173.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 61' ' ' LEU . 4.2 mm? -88.2 -16.67 32.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.925 0.869 . . . . 0.0 108.85 174.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.4 p -79.35 -0.61 33.31 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.729 -1.123 . . . . 0.0 112.633 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 63' ' ' LEU . 4.6 pp -88.66 -10.35 48.86 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 122.119 -0.363 . . . . 0.0 110.578 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -64.1 -48.68 75.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -131.74 104.68 7.04 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 170.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -51.87 -68.39 0.17 Allowed 'General case' 0 N--CA 1.457 -0.113 0 CA-C-O 121.729 0.776 . . . . 0.0 110.691 -176.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 26.8 ttt -106.73 -54.79 2.42 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 168.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -146.84 155.01 42.01 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.098 -1.41 . . . . 0.0 108.999 175.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -109.31 90.45 3.3 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 175.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 65.67 -73.78 0.06 Allowed 'General case' 0 C--O 1.243 0.743 0 O-C-N 124.191 0.932 . . . . 0.0 110.827 -170.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -137.33 -55.31 0.7 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.805 0.812 . . . . 0.0 110.026 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.534 -1.148 . . . . 0.0 110.319 178.882 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 121.33 0.586 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.758 HG21 ' HB3' ' A' ' 9' ' ' ASP . 20.5 p -87.3 167.42 14.08 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.26 176.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p 58.08 83.08 0.12 Allowed 'General case' 0 N--CA 1.471 0.624 0 O-C-N 125.071 1.482 . . . . 0.0 112.942 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.3 t -97.17 -24.75 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-O 122.323 1.058 . . . . 0.0 108.584 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -159.02 -35.83 0.06 Allowed 'General case' 0 C--O 1.241 0.636 0 CA-C-N 114.086 -1.415 . . . . 0.0 107.497 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -84.85 -163.8 0.88 Allowed 'General case' 0 N--CA 1.437 -1.085 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.671 171.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -160.59 93.89 1.03 Allowed 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 170.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -94.03 -64.39 1.09 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.777 -174.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.758 ' HB3' HG21 ' A' ' 2' ' ' THR . 37.1 t70 -113.74 135.95 53.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.048 -173.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.3 pt -92.23 178.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.139 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.536 ' HG2' HD13 ' A' ' 43' ' ' LEU . 44.3 mt-30 -104.31 144.21 31.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.762 0.791 . . . . 0.0 111.71 -175.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -128.8 177.46 7.06 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.186 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 17.5 pt20 -139.43 164.16 30.59 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 175.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 61.9 t -105.26 126.47 60.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.532 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 27.4 m -115.7 143.82 24.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 p -123.1 140.28 47.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.193 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -93.75 168.15 11.19 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -69.38 -0.34 6.22 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 121.859 -0.525 . . . . 0.0 110.494 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.31 7.04 42.85 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.187 0.518 . . . . 0.0 110.352 173.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 59.72 35.26 22.21 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 123.303 0.641 . . . . 0.0 111.355 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -116.89 143.64 45.46 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.781 173.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -103.61 154.3 19.66 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.223 -173.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.1 t -154.37 174.15 15.24 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.7 pt -108.98 147.86 13.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.43 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 66.6 t-105 -144.87 131.56 9.98 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.489 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 35.9 Cg_exo -59.94 132.81 46.88 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.398 2.065 . . . . 0.0 111.546 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -10.5 59.34 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.144 0.497 . . . . 0.0 111.588 -173.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -77.6 -27.3 51.24 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.813 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.8 148.48 23.35 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.648 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.49 149.25 46.0 Favored 'General case' 0 N--CA 1.436 -1.155 0 O-C-N 121.422 -0.799 . . . . 0.0 108.969 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.417 HD11 ' HB2' ' A' ' 37' ' ' ALA . 21.9 mt -66.28 132.98 94.46 Favored Pre-proline 0 C--N 1.33 -0.263 0 O-C-N 123.59 0.556 . . . . 0.0 109.64 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.521 ' HG2' ' HD1' ' A' ' 35' ' ' TRP . 60.2 Cg_endo -72.41 31.28 0.28 Allowed 'Trans proline' 0 N--CA 1.478 0.568 0 C-N-CA 122.884 2.389 . . . . 0.0 114.479 -173.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' O ' ' A' ' 32' ' ' PRO . 56.0 tt0 76.42 -53.12 0.6 Allowed 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 170.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.38 -33.42 87.2 Favored Glycine 0 C--O 1.221 -0.701 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.395 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.532 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 63.8 m95 -96.2 163.98 12.86 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.599 ' HA ' ' HE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -129.95 147.52 51.72 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.646 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.417 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -70.25 130.43 42.01 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.274 0.559 . . . . 0.0 109.875 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -142.52 156.68 45.16 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.697 0.76 . . . . 0.0 110.769 -178.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.49 -102.27 1.37 Allowed Glycine 0 N--CA 1.434 -1.452 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.7 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -158.96 153.1 23.67 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 121.168 0.508 . . . . 0.0 111.148 -173.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 m -105.33 152.0 23.46 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.48 174.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.32 -157.96 30.64 Favored Glycine 0 C--O 1.217 -0.921 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.614 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.536 HD13 ' HG2' ' A' ' 11' ' ' GLN . 3.6 mm? -77.66 172.45 13.38 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 120.268 0.08 . . . . 0.0 110.966 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 4.5 tppp? -51.54 -54.57 26.06 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.56 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -60.95 -32.53 72.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.906 -0.134 . . . . 0.0 110.89 -175.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.56 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 16.7 t70 -69.15 -41.24 77.56 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 122.011 0.91 . . . . 0.0 110.572 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.586 ' O ' HG12 ' A' ' 51' ' ' ILE . 42.0 t -68.05 -49.59 60.45 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.891 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 43.2 mt -56.87 -40.7 76.64 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.987 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.33 -44.95 88.92 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.981 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 88.2 t80 -65.02 -39.51 93.51 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 121.798 -0.564 . . . . 0.0 111.339 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.602 ' HA ' HG23 ' A' ' 54' ' ' VAL . 18.6 mm -67.59 -34.89 70.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -175.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.21 -39.09 78.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.532 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.561 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 10.4 mm-40 -49.03 -62.38 1.56 Allowed 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -175.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.602 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.5 p -90.81 -30.77 4.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 121.948 2.158 . . . . 0.0 108.689 -3.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 19.8 t-105 -135.46 32.51 3.07 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 170.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.8 p 67.99 84.08 0.16 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.524 -176.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -125.27 -171.71 2.43 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.523 -170.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.57 28.26 3.06 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-O 121.721 0.772 . . . . 0.0 111.283 176.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 44.7 ttm180 -90.67 133.05 33.32 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 59' ' ' ARG . 14.4 Cg_exo -68.69 146.69 67.66 Favored 'Trans proline' 0 C--O 1.244 0.806 0 C-N-CA 123.236 2.624 . . . . 0.0 113.006 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.5 mt -90.63 17.23 7.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.326 0.584 . . . . 0.0 111.92 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 t -86.89 -0.49 56.6 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 121.044 0.449 . . . . 0.0 110.382 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 63' ' ' LEU . 3.0 pp -82.68 -6.21 59.26 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.37 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.435 ' O ' ' HB2' ' A' ' 65' ' ' GLN . 13.7 ptm180 -78.64 -17.85 55.38 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 121.912 -0.492 . . . . 0.0 111.351 -178.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 50.3 mt-30 70.05 130.16 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 O-C-N 124.55 1.156 . . . . 0.0 110.88 -173.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.436 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 64.2 m80 -71.04 -6.29 37.88 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.86 0.362 . . . . 0.0 111.535 -176.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -75.06 -11.25 60.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.261 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -31.77 63.78 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.394 0.616 . . . . 0.0 110.316 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 66' ' ' HIS . 21.8 ptmt -88.23 1.78 53.74 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.095 0.474 . . . . 0.0 110.371 178.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.56 16.1 27.3 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -130.12 145.89 51.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.673 0.749 . . . . 0.0 110.04 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.153 0 CA-C-O 118.531 -1.149 . . . . 0.0 111.761 -177.802 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.946 0.403 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 p -94.19 163.53 13.41 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.032 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 m -78.95 47.87 0.8 Allowed 'General case' 0 C--O 1.241 0.607 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.2 m -68.38 -29.54 44.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-O 121.587 0.708 . . . . 0.0 109.762 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -149.44 131.57 15.39 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.431 173.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -73.92 -177.78 2.99 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.057 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.475 ' HD2' ' HA ' ' A' ' 7' ' ' ARG . 14.7 tpt85 -73.6 -35.87 65.45 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.18 177.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -154.38 163.83 39.57 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.018 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.475 ' HB3' HD12 ' A' ' 43' ' ' LEU . 31.3 t0 -113.33 -169.48 1.5 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.403 ' H ' ' CG ' ' A' ' 9' ' ' ASP . 7.5 tp -70.45 137.4 24.01 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.93 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 77.0 mt-30 -105.45 139.29 40.29 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 120.504 0.192 . . . . 0.0 110.796 -173.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.567 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 85.5 m-85 -133.26 -179.4 5.48 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.86 0.838 . . . . 0.0 110.453 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 20.7 pt20 -140.98 146.96 37.99 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.038 -1.437 . . . . 0.0 107.242 170.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.544 HG11 ' CE1' ' A' ' 50' ' ' TYR . 39.9 t -89.14 122.62 40.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.8 m -114.94 149.0 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-O 120.721 0.296 . . . . 0.0 111.161 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.82 138.48 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.663 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 48.0 t30 -97.28 175.47 6.26 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -71.29 -2.52 16.51 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.542 0.526 . . . . 0.0 112.153 -171.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.613 ' HB3' HE22 ' A' ' 21' ' ' GLN . 40.4 tt0 -103.6 14.4 31.25 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 122.036 0.922 . . . . 0.0 108.998 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 13.7 pt-20 57.86 32.01 21.33 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.421 1.488 . . . . 0.0 112.338 174.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.663 ' OE1' ' HB3' ' A' ' 17' ' ' ASN . 1.5 pm0 -95.38 142.51 27.68 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 173.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.93 146.8 33.21 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.103 0.478 . . . . 0.0 111.127 -175.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 m -151.67 177.56 10.24 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.736 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.7 pt -116.97 140.62 38.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.214 0.531 . . . . 0.0 110.139 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.417 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 70.7 t-105 -135.36 134.19 21.06 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 51.9 Cg_exo -57.68 114.49 1.98 Allowed 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 122.397 2.065 . . . . 0.0 112.276 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -52.69 -27.57 18.01 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.311 1.007 . . . . 0.0 112.419 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -55.66 -42.71 75.47 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.673 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -98.97 162.68 12.95 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.151 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -87.55 137.45 32.32 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 36' ' ' ARG . 21.5 pt -61.47 155.35 59.29 Favored Pre-proline 0 C--N 1.314 -0.942 0 O-C-N 124.673 1.233 . . . . 0.0 113.047 -175.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 17.3 Cg_exo -65.85 150.79 85.56 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.42 2.08 . . . . 0.0 112.103 177.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -42.65 -46.78 5.13 Favored 'General case' 0 C--N 1.334 -0.075 0 C-N-CA 124.25 1.02 . . . . 0.0 113.156 -176.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.36 -5.11 87.46 Favored Glycine 0 C--O 1.23 -0.141 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.614 -173.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.408 ' HD1' ' HB2' ' A' ' 32' ' ' PRO . 87.7 m95 -106.44 157.19 17.82 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.077 -0.661 . . . . 0.0 111.095 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.412 ' HA ' HD12 ' A' ' 31' ' ' ILE . 34.1 ttm180 -145.39 156.67 43.91 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.67 126.75 31.01 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.146 0.498 . . . . 0.0 110.873 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.88 72.47 Favored 'General case' 0 CA--C 1.518 -0.282 0 O-C-N 121.825 -0.547 . . . . 0.0 110.318 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.7 -69.33 0.36 Allowed Glycine 0 CA--C 1.506 -0.48 0 C-N-CA 120.13 -1.033 . . . . 0.0 111.944 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.687 ' HD2' ' CD2' ' A' ' 50' ' ' TYR . 97.5 mttt -70.43 121.75 18.34 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.661 0.743 . . . . 0.0 110.583 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.6 t -113.31 143.29 44.69 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.448 175.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.44 177.15 43.37 Favored Glycine 0 C--O 1.215 -1.032 0 C-N-CA 120.276 -0.964 . . . . 0.0 111.394 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.93 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 2.5 pt? -66.42 177.14 1.59 Allowed 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.041 0.448 . . . . 0.0 111.163 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.58 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 21.9 ttmt -47.82 -54.47 12.33 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.275 0.63 . . . . 0.0 112.009 -176.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.54 -40.7 68.92 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 122.454 0.302 . . . . 0.0 111.172 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' HB2' HD23 ' A' ' 43' ' ' LEU . 14.5 t70 -65.64 -38.82 90.46 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.192 0.52 . . . . 0.0 110.198 -178.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 74.0 m -71.22 -40.42 71.11 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.169 178.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 62.5 mt -60.39 -42.55 96.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.194 0.521 . . . . 0.0 110.381 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.67 -42.26 92.48 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.991 174.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.687 ' CD2' ' HD2' ' A' ' 40' ' ' LYS . 51.5 t80 -55.84 -48.5 75.37 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 123.566 0.746 . . . . 0.0 111.686 177.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.74 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 18.3 mm -63.63 -31.29 52.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.657 0.741 . . . . 0.0 110.477 -176.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -61.6 -40.15 93.78 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.802 177.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.512 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 45.0 mm-40 -47.35 -62.18 1.55 Allowed 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -175.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.74 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.8 p -99.65 -40.56 8.7 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 O-C-N 119.637 -1.915 . . . . 0.0 110.329 -4.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -120.74 14.98 11.8 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 122.313 1.054 . . . . 0.0 108.182 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.7 t -143.66 159.49 42.38 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -109.8 111.26 22.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.078 0.466 . . . . 0.0 110.814 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.2 mmt -113.94 130.32 56.53 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.214 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.575 ' HB3' ' HD3' ' A' ' 60' ' ' PRO . 4.6 tpp180 -65.04 -49.61 66.35 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.88 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.575 ' HD3' ' HB3' ' A' ' 59' ' ' ARG . 2.5 Cg_endo -86.58 43.84 1.11 Allowed 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 121.771 1.647 . . . . 0.0 111.84 178.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.69 -58.97 5.99 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.029 -1.441 . . . . 0.0 111.376 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.5 m -70.06 -22.64 63.05 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.989 0.423 . . . . 0.0 110.666 -178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.84 -49.51 72.53 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.407 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.494 ' C ' ' HG3' ' A' ' 65' ' ' GLN . 55.2 mtp180 -85.27 -15.45 43.4 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.402 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.494 ' HG3' ' C ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER 42.07 94.07 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 122.471 1.129 . . . . 0.0 113.461 -179.073 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -60.48 -66.73 0.48 Allowed 'General case' 0 C--N 1.342 0.253 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.512 -174.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 60.8 tpp -104.88 -60.18 1.64 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.4 t70 71.43 142.08 0.05 Allowed 'General case' 0 CA--C 1.536 0.44 0 O-C-N 124.477 1.111 . . . . 0.0 112.251 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt 64.73 28.49 13.0 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.9 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 69.47 -79.17 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.307 0.643 . . . . 0.0 111.185 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 56.55 20.13 4.68 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.126 177.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.458 0 CA-C-O 118.091 -1.394 . . . . 0.0 111.59 179.857 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.3 p -96.24 107.49 19.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.758 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -129.19 -56.14 1.17 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.897 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.2 t -67.1 -49.09 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 121.401 0.62 . . . . 0.0 110.956 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -109.06 143.16 38.76 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -107.82 131.42 54.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.087 0.47 . . . . 0.0 109.955 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -90.8 -77.81 0.4 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.329 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -143.64 -169.24 3.03 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 124.269 0.981 . . . . 0.0 108.404 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -88.3 176.72 7.1 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 tp -68.15 117.5 10.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.997 0.903 . . . . 0.0 110.179 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.483 ' HG2' HD13 ' A' ' 43' ' ' LEU . 49.4 mt-30 -93.42 124.7 37.59 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 121.607 -0.683 . . . . 0.0 111.76 -173.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -119.28 160.19 22.69 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 122.2 1.0 . . . . 0.0 112.449 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 27.3 pt20 -136.49 146.86 46.75 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.54 HG21 ' HB3' ' A' ' 50' ' ' TYR . 41.5 t -84.53 125.87 40.27 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.7 m -115.17 138.93 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.6 p -119.36 138.11 51.1 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -83.09 170.46 14.78 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.028 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -74.6 2.12 10.53 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 121.279 -0.888 . . . . 0.0 109.445 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -100.41 5.29 44.27 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.124 -0.943 . . . . 0.0 108.474 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 59.17 39.2 23.2 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.551 -173.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -95.58 131.14 42.11 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -95.56 135.79 36.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.855 0.836 . . . . 0.0 111.24 -175.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 t -139.84 166.71 23.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.909 174.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.607 HG22 ' SG ' ' A' ' 47' ' ' CYS . 30.9 pt -115.33 128.57 72.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.455 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 57.0 t-105 -134.54 136.12 25.0 Favored Pre-proline 0 C--N 1.31 -1.11 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.998 -175.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.611 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 50.4 Cg_exo -55.06 139.2 79.97 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 121.639 1.56 . . . . 0.0 112.634 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -68.23 -33.98 75.39 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.624 -173.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.72 -6.11 58.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.373 -178.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.611 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 67.0 mttm -97.95 145.58 26.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 176.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -72.5 134.1 45.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.228 0.955 . . . . 0.0 109.458 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.3 mt -65.4 132.08 95.07 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.006 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.85 151.48 56.36 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.342 2.028 . . . . 0.0 112.044 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -70.12 117.82 12.17 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.736 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.81 -20.5 7.24 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -105.23 156.52 18.04 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.334 -0.433 . . . . 0.0 110.166 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' HA ' ' HD2' ' A' ' 36' ' ' ARG . 10.5 tpt180 -132.31 152.92 51.17 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.25 125.78 28.18 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.96 80.56 1.47 Allowed 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.36 -103.54 2.96 Favored Glycine 0 N--CA 1.439 -1.156 0 C-N-CA 120.541 -0.838 . . . . 0.0 114.496 166.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HG3' ' HD1' ' A' ' 50' ' ' TYR . 29.2 mtpp -77.24 122.66 25.37 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.284 0.564 . . . . 0.0 112.171 -170.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 p -130.71 128.07 40.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.492 175.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 170.32 -117.63 0.71 Allowed Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.258 -0.972 . . . . 0.0 112.141 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.483 HD13 ' HG2' ' A' ' 11' ' ' GLN . 2.1 mm? -81.06 168.66 18.4 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -57.2 -39.91 76.34 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.516 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.523 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -63.19 -30.78 71.86 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.661 -179.146 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.523 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 41.9 m-20 -66.38 -41.73 88.99 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 121.86 0.838 . . . . 0.0 110.785 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.607 ' SG ' HG22 ' A' ' 24' ' ' ILE . 42.5 t -70.41 -46.62 63.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.862 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.4 mp -56.48 -52.32 65.15 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.411 0.624 . . . . 0.0 111.981 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -52.32 -41.05 62.65 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.836 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.54 ' HB3' HG21 ' A' ' 14' ' ' VAL . 36.2 t80 -61.63 -37.41 83.86 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.682 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.744 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -71.53 -34.29 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 O-C-N 121.925 -0.484 . . . . 0.0 109.997 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.73 -42.84 99.49 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.222 0.534 . . . . 0.0 111.915 175.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 65.8 mm-40 -45.87 -61.06 1.89 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -174.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.744 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.8 p -102.98 -32.5 3.07 Favored 'Isoleucine or valine' 0 C--O 1.23 0.061 0 CA-C-N 121.715 2.052 . . . . 0.0 111.249 -4.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -39.06 -47.71 1.56 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 -171.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 p -161.35 162.74 30.92 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.472 0.177 . . . . 0.0 111.028 -169.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -72.34 158.99 34.77 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 123.738 0.649 . . . . 0.0 109.539 173.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.484 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 97.7 mmm 70.7 167.97 0.31 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.642 0.589 . . . . 0.0 110.51 -177.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 58' ' ' MET . 1.5 ptm180 39.76 68.78 1.98 Allowed Pre-proline 0 N--CA 1.471 0.617 0 C-N-CA 124.061 0.944 . . . . 0.0 112.816 -174.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -74.57 153.78 44.26 Favored 'Trans proline' 0 C--O 1.219 -0.445 0 C-N-CA 122.311 2.008 . . . . 0.0 111.689 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 pp -85.35 9.69 14.77 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.33 0.586 . . . . 0.0 109.626 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 m -63.26 -15.19 56.39 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.746 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 2.8 pp -77.33 -4.78 46.83 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.61 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -72.4 -23.86 61.16 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.63 0.728 . . . . 0.0 109.944 175.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 65.22 86.62 0.13 Allowed 'General case' 0 C--N 1.347 0.473 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.288 175.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.415 ' C ' ' H ' ' A' ' 68' ' ' ASP . 42.2 m80 -85.02 -32.81 22.72 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 57.3 ttm -78.72 38.54 0.32 Allowed 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.646 0.736 . . . . 0.0 109.762 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 66' ' ' HIS . 35.6 t70 -58.21 157.91 7.74 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.657 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 73.12 102.03 0.07 Allowed 'General case' 0 N--CA 1.47 0.539 0 O-C-N 124.219 0.949 . . . . 0.0 108.845 -170.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.21 71.19 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -165.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.1 5.38 25.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.285 0.564 . . . . 0.0 110.553 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.143 0 CA-C-O 118.656 -1.08 . . . . 0.0 110.965 -174.214 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.0 m -60.58 112.67 2.08 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.25 0.547 . . . . 0.0 110.999 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -90.71 -168.4 2.08 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.26 -25.81 21.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 121.697 -0.627 . . . . 0.0 111.373 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.5 t80 75.28 -7.31 1.8 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.296 174.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -86.02 104.75 15.92 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.15 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.561 ' H ' ' HD3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -103.54 72.04 1.11 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.984 -176.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -71.85 149.2 45.42 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.372 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.9 t70 59.06 -93.37 0.04 OUTLIER 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.474 0.71 . . . . 0.0 109.912 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.2 tt -177.69 135.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -101.01 126.21 47.67 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.529 0.681 . . . . 0.0 111.508 -175.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -120.77 179.05 4.47 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.181 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.491 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 10.3 pt20 -143.44 157.08 44.74 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 170.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.0 t -95.81 127.98 47.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.414 HG11 HG23 ' A' ' 31' ' ' ILE . 21.0 m -115.9 153.52 17.48 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 O-C-N 123.458 0.474 . . . . 0.0 109.956 176.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 p -122.86 138.16 53.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 CA-C-O 120.932 0.396 . . . . 0.0 111.168 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -92.41 172.43 8.4 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.125 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -60.44 -10.28 4.71 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.671 0.788 . . . . 0.0 112.359 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -111.13 17.9 19.9 Favored 'General case' 0 N--CA 1.442 -0.828 0 O-C-N 123.489 0.493 . . . . 0.0 111.311 -174.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 61.99 37.45 14.94 Favored 'General case' 0 C--N 1.344 0.334 0 O-C-N 124.266 0.979 . . . . 0.0 110.072 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -112.86 129.63 56.39 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.75 176.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -96.31 156.32 16.39 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.022 0.826 . . . . 0.0 111.357 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -156.94 178.59 10.18 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 124.463 1.102 . . . . 0.0 109.013 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.521 ' CG2' ' HB3' ' A' ' 47' ' ' CYS . 29.7 pt -119.77 143.31 31.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.513 0.673 . . . . 0.0 110.475 -175.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -144.05 134.71 12.22 Favored Pre-proline 0 C--N 1.309 -1.172 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.276 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.515 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 51.8 Cg_exo -54.59 132.61 52.34 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.26 1.974 . . . . 0.0 112.334 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.7 -30.08 71.09 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.483 -173.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -85.64 15.51 4.61 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -175.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.515 ' HE2' ' HG2' ' A' ' 26' ' ' PRO . 50.5 mtmt -130.04 154.88 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.083 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.39 131.54 45.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.154 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.414 HG23 HG11 ' A' ' 15' ' ' VAL . 70.1 mt -64.11 139.32 97.65 Favored Pre-proline 0 C--O 1.236 0.386 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.091 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -53.34 135.92 61.61 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.248 1.965 . . . . 0.0 112.056 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -47.28 -35.55 7.98 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.055 0.847 . . . . 0.0 112.659 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.53 -3.09 90.71 Favored Glycine 0 C--O 1.221 -0.71 0 C-N-CA 120.864 -0.684 . . . . 0.0 114.414 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 47.9 m95 -126.09 168.88 13.39 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -148.01 163.93 35.35 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.274 -0.267 . . . . 0.0 110.31 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.85 125.0 25.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 123.594 0.558 . . . . 0.0 110.761 -175.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.12 -20.82 55.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.658 0.599 . . . . 0.0 111.289 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.75 -33.14 5.06 Favored Glycine 0 C--N 1.346 1.134 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.232 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 tpmt? -87.35 123.28 32.15 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.002 0.43 . . . . 0.0 111.404 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 13' ' ' GLN . 53.1 m -124.32 153.53 41.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.267 174.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.87 -175.25 41.51 Favored Glycine 0 CA--C 1.506 -0.52 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.3 mt -66.99 176.15 2.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 117.32 0.56 . . . . 0.0 110.319 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -55.86 -42.23 75.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.25 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.529 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -60.58 -45.39 94.13 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.777 -177.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.14 -38.06 84.88 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.387 0.613 . . . . 0.0 110.138 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.521 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 16.7 m -75.54 -48.11 23.93 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.957 -176.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.77 -46.92 87.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.394 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -58.03 -37.65 74.74 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.246 176.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 47.3 t80 -57.05 -45.17 83.4 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 123.731 0.644 . . . . 0.0 111.361 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.68 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.8 mp -69.95 -33.53 55.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -177.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.57 -42.23 99.42 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.093 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 18.2 mm-40 -45.05 -62.26 1.31 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -175.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.68 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.1 p -98.49 -41.68 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 121.455 1.934 . . . . 0.0 110.504 -2.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -141.86 22.08 2.12 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.4 p -119.21 -10.08 9.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.799 -175.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.8 t70 68.98 -60.16 0.46 Allowed 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.098 0.959 . . . . 0.0 112.816 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.9 ptp -80.72 87.6 5.82 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-O 121.771 0.796 . . . . 0.0 112.69 -175.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.4 ' HD3' HH11 ' A' ' 59' ' ' ARG . 10.8 tpp180 -157.32 100.47 1.91 Allowed Pre-proline 0 C--O 1.234 0.259 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.223 174.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.438 ' HD2' HD21 ' A' ' 63' ' ' LEU . 13.1 Cg_exo -70.05 151.41 67.38 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.834 2.356 . . . . 0.0 112.253 179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.529 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 68.8 mt -82.06 -7.23 59.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.067 -178.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.8 p -62.18 -56.54 17.68 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.78 ' H ' HD23 ' A' ' 63' ' ' LEU . 1.5 pt? -70.93 -33.65 70.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.132 0.491 . . . . 0.0 110.52 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.529 ' HB3' ' HA ' ' A' ' 61' ' ' LEU . 1.9 tmt_? -58.62 -49.72 76.46 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.964 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -79.8 -20.55 45.92 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 121.464 0.65 . . . . 0.0 111.182 -177.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -71.05 -16.46 62.6 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.241 178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 25.9 mmt -68.17 -23.55 64.87 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.758 0.661 . . . . 0.0 111.046 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -85.03 138.03 32.7 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.283 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -64.78 115.52 5.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.474 0.654 . . . . 0.0 111.991 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -121.28 94.57 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.729 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -150.36 104.06 3.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.804 -178.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.262 0 CA-C-O 118.919 -0.934 . . . . 0.0 112.201 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.1 tpp . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.9 m -141.85 118.0 10.69 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.543 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 m -119.87 133.16 55.67 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.063 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -85.05 -34.87 9.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.454 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 66.56 -70.03 0.11 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.212 1.005 . . . . 0.0 112.152 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -78.44 -172.85 3.06 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.209 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -117.05 105.71 12.59 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.603 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -97.78 -147.51 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 p30 46.45 32.64 1.65 Allowed 'General case' 0 C--N 1.349 0.558 0 C-N-CA 123.93 0.892 . . . . 0.0 112.593 174.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.507 HG13 ' HE1' ' A' ' 28' ' ' TYR . 13.2 tt -70.43 -26.81 29.6 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.124 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.714 -175.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.524 ' HB2' ' HB3' ' A' ' 27' ' ' GLU . 56.3 mt-30 48.26 141.0 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 114.461 -1.245 . . . . 0.0 114.034 -172.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.558 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . 28.3 m-85 -120.77 151.8 39.12 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.975 0.893 . . . . 0.0 111.384 178.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 25.2 pt20 -136.59 151.54 49.47 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.631 -1.168 . . . . 0.0 109.205 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 22.6 t -92.87 124.73 45.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 118.347 0.521 . . . . 0.0 109.627 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.05 146.91 19.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 17' ' ' ASN . 8.8 p -132.23 144.64 36.44 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 CA-C-O 121.27 0.557 . . . . 0.0 110.511 -176.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.432 ' O ' HG22 ' A' ' 16' ' ' VAL . 61.5 t30 -92.76 159.56 15.35 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 172.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -72.51 14.74 0.23 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.715 0.769 . . . . 0.0 111.477 -175.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 17' ' ' ASN . 7.8 pt-20 -106.42 8.66 31.69 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 67.17 38.93 3.24 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.415 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -99.99 117.37 34.14 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.215 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -90.77 135.85 33.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.299 0.571 . . . . 0.0 110.726 -176.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 t -143.37 172.89 12.15 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.416 HG22 ' SG ' ' A' ' 47' ' ' CYS . 29.8 pt -115.08 145.23 21.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.537 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 43.6 t-105 -141.42 141.61 23.66 Favored Pre-proline 0 C--N 1.313 -0.997 0 C-N-CA 122.94 0.496 . . . . 0.0 110.432 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.681 ' HB2' ' HG2' ' A' ' 29' ' ' LYS . 26.0 Cg_exo -62.19 139.33 77.43 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.382 2.721 . . . . 0.0 111.916 175.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 7.6 tp10 -69.31 -41.57 76.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -176.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.507 ' HE1' HG13 ' A' ' 10' ' ' ILE . 25.9 p90 -68.36 -23.23 64.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -171.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.681 ' HG2' ' HB2' ' A' ' 26' ' ' PRO . 18.0 ptpt -98.15 156.15 16.81 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.92 146.5 46.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.613 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.1 mt -87.46 142.49 33.14 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -53.9 128.54 30.08 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.174 1.916 . . . . 0.0 110.919 169.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -71.51 -7.36 47.06 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -171.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.15 -23.49 71.26 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 173.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -102.18 166.4 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -129.68 148.4 51.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.78 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.99 139.9 38.11 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -139.73 147.9 41.54 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.184 0.516 . . . . 0.0 112.051 -176.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.483 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . 58.02 -107.27 1.02 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.444 -0.798 . . . . 0.0 114.717 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.934 ' HD2' ' HB2' ' A' ' 50' ' ' TYR . 56.3 mttm -96.7 128.85 44.05 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.479 1.133 . . . . 0.0 112.275 -170.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.0 t -126.48 110.18 13.0 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.054 168.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.38 -124.84 0.93 Allowed Glycine 0 CA--C 1.51 -0.279 0 C-N-CA 120.321 -0.943 . . . . 0.0 113.146 -176.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.23 165.87 15.3 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 124.234 0.608 . . . . 0.0 111.619 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.558 ' HA ' ' HB2' ' A' ' 12' ' ' PHE . 50.8 tttp -65.67 -53.83 35.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.209 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.511 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -64.36 -29.39 70.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.392 178.848 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.511 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 38.8 t70 -69.92 -38.51 76.25 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 120.8 0.333 . . . . 0.0 110.358 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.416 ' SG ' HG22 ' A' ' 24' ' ' ILE . 27.9 t -66.67 -47.39 72.63 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 121.47 0.652 . . . . 0.0 109.773 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 72.7 mt -56.75 -44.3 81.6 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.159 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.54 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.75 -42.1 67.83 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.715 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.934 ' HB2' ' HD2' ' A' ' 40' ' ' LYS . 73.5 t80 -53.21 -49.47 66.7 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.61 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 4.0 mp -65.21 -34.83 73.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.066 0.46 . . . . 0.0 110.872 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.78 -42.61 99.77 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.817 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 8.7 mm-40 -43.3 -62.21 1.12 Allowed 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.61 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.4 p -91.5 -37.15 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 121.779 2.081 . . . . 0.0 109.929 -7.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.607 ' HD1' HG13 ' A' ' 54' ' ' VAL . 62.2 m95 -117.6 15.89 14.56 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 172.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.6 p -156.51 -176.95 6.25 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 120.82 0.343 . . . . 0.0 110.627 -167.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.37 -57.61 3.41 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 170.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.0 ttm 64.01 -78.94 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.263 174.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.502 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 13.4 ptm180 -123.55 131.67 24.29 Favored Pre-proline 0 C--N 1.317 -0.84 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 59' ' ' ARG . 5.8 Cg_exo -76.03 97.73 1.14 Allowed 'Trans proline' 0 C--O 1.224 -0.215 0 C-N-CA 122.743 2.295 . . . . 0.0 113.393 -172.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 pp -90.35 10.89 23.17 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.459 0.647 . . . . 0.0 109.956 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.9 p -60.49 -51.76 68.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.482 -176.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.694 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.5 pt? -78.32 -3.7 44.32 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.998 0.428 . . . . 0.0 110.876 -178.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.547 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 1.7 mmp_? -96.3 -36.79 10.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.799 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 70.45 172.55 0.31 Allowed 'General case' 0 C--O 1.24 0.583 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.677 -172.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -80.36 -7.95 59.3 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 63.0 mtt -91.42 8.17 37.56 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.771 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.473 ' HB2' ' HB3' ' A' ' 64' ' ' ARG . 27.8 t70 -57.98 -54.38 47.63 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.955 177.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.494 ' HB3' ' NZ ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -129.64 95.02 3.88 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 174.1 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.89 141.1 32.46 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.25 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.9 76.14 3.49 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.115 0.484 . . . . 0.0 110.376 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.161 0 CA-C-O 118.093 -1.393 . . . . 0.0 112.187 -177.894 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -128.27 136.03 50.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.998 0.428 . . . . 0.0 110.294 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 t -108.46 -22.9 12.1 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.264 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.0 p -92.47 -47.86 13.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 C-N-CA 120.551 -0.46 . . . . 0.0 109.989 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.9 p90 40.69 -165.58 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.526 1.13 . . . . 0.0 113.243 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -159.02 99.75 1.53 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 7' ' ' ARG . 15.8 ptt180 -108.64 11.16 26.75 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -81.69 87.02 6.32 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.175 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -81.49 121.16 25.94 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 171.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.565 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 3.9 tp -142.82 -51.9 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.246 0.871 0 C-N-CA 120.394 -0.523 . . . . 0.0 111.094 -171.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.668 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 54.1 mt-30 85.45 112.2 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 123.855 0.862 . . . . 0.0 110.563 173.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -123.36 174.97 7.0 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.121 -1.399 . . . . 0.0 111.453 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 27.1 pt20 -139.51 150.44 45.13 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 113.547 -1.66 . . . . 0.0 107.132 169.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 61.6 t -93.06 127.98 44.83 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 O-C-N 121.485 -0.76 . . . . 0.0 109.217 -178.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.499 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 20.1 m -113.81 137.44 46.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.865 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.521 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 5.9 p -128.54 132.78 67.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.433 HD21 ' HB2' ' A' ' 19' ' ' GLU . 37.9 p-10 -92.13 -163.43 1.04 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.822 0.344 . . . . 0.0 110.596 -175.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -82.74 -10.08 59.06 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.774 -0.579 . . . . 0.0 110.291 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.433 ' HB2' HD21 ' A' ' 17' ' ' ASN . 2.3 mp0 -98.01 13.9 29.28 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.753 178.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 13.5 pt-20 53.45 32.13 13.43 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 125.498 1.519 . . . . 0.0 111.526 178.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.521 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 94.0 mt-30 -90.63 145.52 24.78 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 173.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -122.84 153.2 39.9 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-O 121.224 0.535 . . . . 0.0 112.029 -175.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.1 t -164.52 177.58 8.03 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.861 -178.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.7 pt -119.05 132.81 67.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.721 0.772 . . . . 0.0 109.514 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.463 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 69.9 t-105 -125.74 141.4 39.12 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.236 -177.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HD2' ' CD2' ' A' ' 25' ' ' TRP . 10.2 Cg_endo -55.63 130.45 40.51 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.102 1.868 . . . . 0.0 111.567 175.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -27.35 62.47 Favored 'General case' 0 N--CA 1.441 -0.884 0 O-C-N 121.128 -0.983 . . . . 0.0 111.057 -172.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -73.04 -19.47 61.18 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.35 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -100.09 152.2 20.51 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.414 0.626 . . . . 0.0 111.097 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -75.64 140.65 42.7 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.79 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.468 HD11 ' HB2' ' A' ' 37' ' ' ALA . 66.8 mt -65.72 136.23 95.83 Favored Pre-proline 0 C--N 1.317 -0.81 0 O-C-N 123.476 0.485 . . . . 0.0 110.532 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.28 138.3 82.99 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.542 2.161 . . . . 0.0 111.315 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -63.41 122.3 15.91 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 121.153 0.501 . . . . 0.0 110.127 -174.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.24 -20.9 6.98 Favored Glycine 0 C--N 1.311 -0.859 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -176.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.499 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 83.0 m95 -105.67 159.46 15.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.498 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 73.1 mtm180 -129.15 147.8 51.03 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.028 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.468 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -76.32 134.95 39.58 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.754 0.311 . . . . 0.0 110.414 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -155.16 169.29 24.48 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.073 -177.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.1 -132.14 16.38 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.246 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -125.56 130.7 52.22 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 110.741 -0.096 . . . . 0.0 110.741 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.0 m -95.3 129.6 42.37 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.652 -0.869 . . . . 0.0 108.652 174.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.668 ' O ' ' HA ' ' A' ' 11' ' ' GLN . . . 166.97 -128.84 1.8 Allowed Glycine 0 C--O 1.24 0.524 0 C-N-CA 119.958 -1.115 . . . . 0.0 112.242 -177.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.4 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? -77.52 157.06 30.58 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.882 -0.775 . . . . 0.0 110.224 -175.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.574 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 74.6 tttt -51.7 -50.27 60.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.433 0.635 . . . . 0.0 111.008 177.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.567 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -63.03 -29.56 70.91 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.691 -177.881 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.567 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 37.9 t0 -72.5 -43.89 63.01 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 122.714 0.406 . . . . 0.0 110.565 -176.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.569 ' O ' HG12 ' A' ' 51' ' ' ILE . 79.0 m -66.24 -40.86 90.53 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.761 176.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 85.8 mt -58.46 -42.64 87.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.891 177.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.19 75.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.382 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -63.06 -33.3 75.14 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 124.067 0.854 . . . . 0.0 111.833 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.606 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 25.2 mm -69.37 -34.66 63.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.486 0.66 . . . . 0.0 110.202 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.07 -35.26 74.77 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.965 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.903 ' HB3' ' HB ' ' A' ' 56' ' ' THR . 15.3 mm-40 -48.49 -62.57 1.43 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -173.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.606 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.2 p -99.93 -39.09 7.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.753 0 CA-C-N 121.201 1.818 . . . . 0.0 111.254 -1.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -85.79 -23.46 27.22 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 121.915 -0.491 . . . . 0.0 110.441 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.903 ' HB ' ' HB3' ' A' ' 53' ' ' GLU . 5.2 t 49.55 47.16 22.98 Favored 'General case' 0 C--O 1.238 0.462 0 O-C-N 124.591 1.182 . . . . 0.0 112.042 172.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 58' ' ' MET . 26.1 t70 -120.86 114.76 22.06 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -174.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 0.4 OUTLIER 72.35 -67.66 0.25 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.725 0.81 . . . . 0.0 110.495 -173.102 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -141.23 108.73 6.26 Favored Pre-proline 0 C--O 1.236 0.354 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.713 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.48 -179.85 4.51 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.646 2.231 . . . . 0.0 111.094 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 53' ' ' GLU . 3.4 pp -81.15 17.07 1.34 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.366 0.603 . . . . 0.0 112.523 -177.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.529 ' O ' ' HB3' ' A' ' 66' ' ' HIS . 47.8 t -60.9 -27.91 68.52 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.259 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -65.97 -37.16 85.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.528 0.68 . . . . 0.0 110.081 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 64' ' ' ARG . 45.0 ttm105 -76.53 -61.37 1.98 Allowed 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.749 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.499 ' HB3' ' HB3' ' A' ' 68' ' ' ASP . 76.3 mt-30 -100.82 80.69 2.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.61 ' CD2' ' HG3' ' A' ' 67' ' ' MET . 9.9 p-80 -99.58 -22.63 15.37 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.166 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.61 ' HG3' ' CD2' ' A' ' 66' ' ' HIS . 83.4 mtp -99.96 0.06 40.38 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.499 ' HB3' ' HB3' ' A' ' 65' ' ' GLN . 38.3 t70 -108.14 133.31 52.59 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -92.42 153.59 19.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.165 0.507 . . . . 0.0 111.337 -174.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.65 -47.29 48.75 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.653 0.739 . . . . 0.0 109.181 173.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -139.16 91.43 2.51 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.443 177.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.643 0 C-N-CA 120.036 -1.078 . . . . 0.0 111.389 -178.891 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ppp? . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 121.62 0.724 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 t -74.47 147.6 41.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.708 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 m -60.55 123.94 18.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.415 0.626 . . . . 0.0 111.501 -176.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.0 t -73.49 -41.81 56.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.09 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.599 ' CE2' ' HA ' ' A' ' 8' ' ' ASP . 27.8 t80 -128.61 84.97 2.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.411 175.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 30.2 t70 -72.45 142.21 48.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.219 -174.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 6' ' ' ASP . 68.6 ttt180 77.31 -45.08 0.46 Allowed 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.397 176.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.599 ' HA ' ' CE2' ' A' ' 5' ' ' PHE . 12.9 t70 62.07 -148.7 0.38 Allowed 'General case' 0 C--O 1.243 0.749 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -170.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.411 ' H ' ' CG ' ' A' ' 8' ' ' ASP . 24.5 t70 -155.43 -64.73 0.12 Allowed 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 173.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.2 tt 179.95 131.63 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.244 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.511 ' HG2' ' HA ' ' A' ' 43' ' ' LEU . 80.9 mt-30 -103.6 144.54 31.29 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.502 -177.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -129.66 179.65 5.71 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 122.671 1.224 . . . . 0.0 111.413 -171.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.592 ' NE2' HD11 ' A' ' 31' ' ' ILE . 16.3 pt20 -156.38 162.88 40.01 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 113.44 -1.709 . . . . 0.0 108.274 177.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.436 HG21 ' CD1' ' A' ' 50' ' ' TYR . 18.1 t -97.93 129.98 47.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.22 -175.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 15.5 m -120.89 148.25 24.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.263 0.554 . . . . 0.0 110.318 176.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 11.2 p -129.15 140.44 49.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.483 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -128.2 86.15 2.43 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 68.41 -46.94 0.54 Allowed 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 161.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.52 ' HB2' ' HG3' ' A' ' 21' ' ' GLN . 4.7 mp0 -93.03 6.73 46.91 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.918 -176.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 42.8 tt0 73.74 22.21 2.59 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -175.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.52 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 25.3 mt-30 -72.66 103.13 3.49 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.314 172.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 14.9 p90 -98.1 134.73 40.77 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 120.996 0.427 . . . . 0.0 110.759 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.6 t -143.99 179.36 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.415 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.52 HG22 ' SG ' ' A' ' 47' ' ' CYS . 41.7 pt -109.52 134.07 52.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-O 120.818 0.342 . . . . 0.0 110.834 -177.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.48 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 68.3 t-105 -129.94 138.55 33.35 Favored Pre-proline 0 C--N 1.315 -0.916 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.646 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 52.4 Cg_exo -53.84 134.0 57.05 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.458 2.105 . . . . 0.0 111.934 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.546 ' HA ' ' OE1' ' A' ' 13' ' ' GLN . 9.0 tm-20 -64.2 -31.44 72.64 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.551 -172.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -18.96 42.4 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.788 -175.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.646 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 98.3 mttt -92.76 155.17 17.85 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 121.862 0.839 . . . . 0.0 112.106 -170.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -75.57 124.32 27.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.537 -1.211 . . . . 0.0 109.749 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.592 HD11 ' NE2' ' A' ' 13' ' ' GLN . 65.5 mt -67.09 137.52 94.46 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.408 ' HB2' ' HD1' ' A' ' 35' ' ' TRP . 45.7 Cg_exo -55.62 143.54 78.76 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.163 1.909 . . . . 0.0 112.497 174.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -56.38 -23.08 35.47 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -174.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.41 -20.93 55.84 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.17 -1.014 . . . . 0.0 112.225 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.408 ' HD1' ' HB2' ' A' ' 32' ' ' PRO . 65.7 m95 -100.7 146.95 26.57 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.553 0.692 . . . . 0.0 111.154 -174.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -117.93 139.49 51.08 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.716 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.505 ' HB2' ' CD1' ' A' ' 31' ' ' ILE . . . -75.08 132.99 41.66 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 123.14 0.576 . . . . 0.0 110.513 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.421 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -147.72 159.4 43.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.169 0.509 . . . . 0.0 110.231 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.74 -131.84 11.41 Favored Glycine 0 C--O 1.246 0.844 0 C-N-CA 121.024 -0.608 . . . . 0.0 113.374 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -129.13 155.86 44.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.367 0.603 . . . . 0.0 110.665 -177.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 13' ' ' GLN . 6.6 p -114.01 155.6 25.6 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.437 174.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.19 -151.66 21.4 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.511 ' HA ' ' HG2' ' A' ' 11' ' ' GLN . 3.5 mm? -62.73 171.6 2.01 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.156 0.503 . . . . 0.0 111.749 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.52 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 85.4 tttt -64.39 -50.62 66.95 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.994 0.426 . . . . 0.0 110.932 -177.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -29.6 70.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.844 -178.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.434 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 4.2 m-20 -62.95 -42.09 99.71 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.473 177.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.597 ' O ' HG12 ' A' ' 51' ' ' ILE . 18.8 t -75.33 -39.69 59.13 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -178.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 76.5 mt -60.48 -49.59 76.97 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 121.398 0.618 . . . . 0.0 111.165 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.05 -47.36 68.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.771 176.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.436 ' CD1' HG21 ' A' ' 14' ' ' VAL . 51.6 t80 -54.85 -41.73 71.13 Favored 'General case' 0 C--N 1.311 -1.105 0 O-C-N 124.29 0.994 . . . . 0.0 111.92 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.664 ' HA ' HG23 ' A' ' 54' ' ' VAL . 21.4 mm -70.66 -34.98 59.03 Favored 'Isoleucine or valine' 0 C--O 1.248 1.0 0 CA-C-O 121.14 0.495 . . . . 0.0 110.894 -174.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.37 -40.09 95.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.411 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.602 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 20.3 mm-40 -46.03 -61.9 1.56 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -175.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.664 HG23 ' HA ' ' A' ' 51' ' ' ILE . 3.8 p -88.06 -31.37 5.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 CA-C-N 121.72 2.055 . . . . 0.0 109.027 -5.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 15.0 t90 -145.79 27.25 1.21 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 122.509 1.147 . . . . 0.0 108.101 168.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 t -174.36 86.24 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.602 -174.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.84 98.58 5.63 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.92 171.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.9 tpt -130.3 -14.23 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.643 0.735 . . . . 0.0 110.119 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -127.37 124.28 23.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.21 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.49 68.86 2.09 Favored 'Trans proline' 0 C--O 1.243 0.762 0 C-N-CA 122.875 2.384 . . . . 0.0 111.405 175.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.76 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 3.6 pp -60.5 -17.49 45.71 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.112 -177.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 p -57.23 -39.58 75.83 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.854 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 pp -108.82 5.11 24.28 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.273 0.558 . . . . 0.0 110.908 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.76 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . 26.3 mmt180 -92.29 0.35 57.45 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.071 -176.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -149.64 147.82 28.56 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 123.139 0.274 . . . . 0.0 111.012 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.472 ' CB ' ' HA2' ' A' ' 72' ' ' GLY . 21.2 t60 -91.65 -53.15 4.42 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.44 ' HG2' ' H ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -107.54 -55.54 2.34 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 171.219 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.586 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 20.3 t70 178.18 98.88 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 119.609 -0.234 . . . . 0.0 111.504 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.586 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 39.4 ttmt 167.33 -86.53 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.674 0 O-C-N 123.988 0.805 . . . . 0.0 110.47 168.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.22 116.24 1.33 Allowed 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 123.289 0.636 . . . . 0.0 110.312 -173.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 70.68 -58.73 0.55 Allowed 'General case' 0 N--CA 1.466 0.357 0 O-C-N 124.422 1.076 . . . . 0.0 109.955 -168.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.472 ' HA2' ' CB ' ' A' ' 66' ' ' HIS . . . . . . . . 0 N--CA 1.439 -1.141 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 170.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.482 1.159 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.653 HG21 ' HB3' ' A' ' 6' ' ' ASP . 2.2 t -148.49 149.7 32.11 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.538 0.685 . . . . 0.0 111.783 -174.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 p -127.1 -37.24 2.09 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.751 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.545 HG11 ' HB2' ' A' ' 45' ' ' LYS . 39.7 t -116.21 -45.96 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 2' ' ' THR . 34.2 p90 -74.3 0.94 12.7 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 -167.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.653 ' HB3' HG21 ' A' ' 2' ' ' THR . 9.1 p-10 -87.71 -11.42 48.3 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.277 -0.569 . . . . 0.0 111.17 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 4' ' ' VAL . 15.7 ptt180 -103.79 150.6 23.95 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.817 0.342 . . . . 0.0 110.286 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -73.9 -65.32 0.85 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.217 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.8 t70 60.9 -79.74 0.02 OUTLIER 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.949 -177.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 tp -176.58 140.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 C-N-CA 123.258 0.623 . . . . 0.0 109.786 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.842 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 27.4 mp0 -106.71 139.67 40.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.582 0.706 . . . . 0.0 110.511 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -125.91 178.33 5.8 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.97 0.891 . . . . 0.0 111.108 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -139.82 146.65 39.66 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.361 -1.29 . . . . 0.0 107.662 169.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.569 HG11 ' CD1' ' A' ' 50' ' ' TYR . 24.7 t -90.1 126.45 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 C-N-CA 119.322 -0.951 . . . . 0.0 108.787 -178.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.462 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 16.9 m -114.81 149.34 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-O 121.184 0.516 . . . . 0.0 110.62 178.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p -117.26 133.25 64.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.67 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.407 ' HB2' ' CZ3' ' A' ' 35' ' ' TRP . 23.8 t-20 -78.11 165.41 24.01 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -70.68 -1.41 11.23 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.455 0.645 . . . . 0.0 110.685 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.98 13.73 32.97 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.391 175.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 59.88 28.25 17.72 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.711 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -104.42 126.71 51.75 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -93.79 149.79 20.94 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.622 0.248 . . . . 0.0 111.474 -170.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -152.71 176.24 11.98 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.6 pt -113.72 140.14 35.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -135.86 127.3 17.22 Favored Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.55 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 44.5 Cg_exo -55.84 128.15 29.09 Favored 'Trans proline' 0 CA--C 1.512 -0.614 0 C-N-CA 122.435 2.09 . . . . 0.0 110.835 178.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.18 -36.59 80.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.742 0.306 . . . . 0.0 111.516 -168.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -66.43 -15.52 63.39 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HE2' ' HG2' ' A' ' 26' ' ' PRO . 47.3 mtmt -96.49 149.3 21.9 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.203 0.525 . . . . 0.0 111.108 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -74.33 136.63 42.55 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.119 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.443 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 34.8 pt -80.07 146.83 64.07 Favored Pre-proline 0 C--O 1.243 0.719 0 O-C-N 122.002 -0.436 . . . . 0.0 110.215 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 7.3 Cg_exo -73.42 154.41 50.66 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 123.006 2.471 . . . . 0.0 111.376 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 7.0 tp60 -64.71 117.96 8.22 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.788 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.04 -18.6 5.87 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.024 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.462 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 76.3 m95 -103.53 145.57 29.83 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 10.6 mmt180 -125.07 143.23 51.02 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.56 129.38 39.53 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 121.398 0.618 . . . . 0.0 111.385 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . . . -80.08 -153.72 0.09 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.464 178.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.21 13.53 57.16 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.172 -1.013 . . . . 0.0 114.036 -170.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.513 ' HD2' ' HD2' ' A' ' 50' ' ' TYR . 57.6 mttm -148.8 123.87 10.08 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 177.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.5 m -119.31 136.85 54.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.284 170.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.96 -165.27 37.54 Favored Glycine 0 C--N 1.317 -0.519 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.842 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 1.7 pt? -77.53 178.92 6.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 118.085 0.942 . . . . 0.0 110.213 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' A' ' 44' ' ' LYS . 26.3 ttmt -46.13 -38.87 8.7 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.583 0.753 . . . . 0.0 112.702 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.579 ' H ' ' HG ' ' A' ' 43' ' ' LEU . 58.7 tptt -61.39 -50.05 74.41 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.21 -177.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -72.73 -34.26 66.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.857 0.837 . . . . 0.0 111.042 -176.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 37.5 t -70.06 -46.64 64.54 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.659 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 tp -58.14 -46.36 85.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.966 176.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.66 -40.9 66.28 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.04 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.569 ' CD1' HG11 ' A' ' 14' ' ' VAL . 46.6 t80 -56.58 -39.85 74.23 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -177.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.668 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.8 mp -65.1 -35.54 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-O 121.412 0.625 . . . . 0.0 110.671 -178.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.11 -45.44 87.27 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.746 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.624 ' HA ' ' HD3' ' A' ' 59' ' ' ARG . 5.6 mm-40 -47.4 -60.96 2.15 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.749 1.281 . . . . 0.0 114.148 -171.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.668 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.7 p -94.0 -35.73 6.59 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 CA-C-N 121.758 2.072 . . . . 0.0 109.566 -3.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.568 ' HA ' ' HE3' ' A' ' 55' ' ' TRP . 0.8 OUTLIER -153.03 20.61 0.58 Allowed 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.726 0.774 . . . . 0.0 109.016 176.705 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 3.8 t -169.0 81.14 0.13 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.434 -173.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 56' ' ' THR . 30.3 t70 158.47 137.64 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.099 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.4 mtm -87.03 97.74 10.89 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.624 ' HD3' ' HA ' ' A' ' 53' ' ' GLU . 13.8 ptm180 -149.51 40.76 0.22 Allowed Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -175.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.609 ' HD3' ' N ' ' A' ' 59' ' ' ARG . 27.5 Cg_exo -62.0 117.26 4.09 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 121.148 1.232 . . . . 0.0 110.694 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.3 -22.98 33.76 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -173.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 m -67.25 -28.25 67.88 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.951 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.596 HD11 ' HD2' ' A' ' 60' ' ' PRO . 3.9 pp -123.26 9.87 9.23 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.743 0.306 . . . . 0.0 110.619 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -94.37 0.59 55.6 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.308 -177.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -53.8 103.54 0.08 Allowed 'General case' 0 C--N 1.338 0.067 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.045 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -99.41 -12.17 20.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.946 0.403 . . . . 0.0 110.868 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.64 -25.47 38.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.204 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 3.8 p-10 -157.49 160.19 38.02 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 174.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 29.5 mmmt 69.79 14.87 8.04 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.747 0.654 . . . . 0.0 110.978 -175.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -116.99 -12.42 10.68 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.96 128.25 55.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.195 0.521 . . . . 0.0 110.629 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.129 0 CA-C-O 118.928 -0.929 . . . . 0.0 112.377 -179.727 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.406 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 49.8 ttm . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 120.69 0.281 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.4 p -72.16 146.15 47.61 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.437 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 t -85.59 68.13 10.32 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -177.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.1 m -91.47 -19.2 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.767 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.434 ' CE1' ' HE3' ' A' ' 45' ' ' LYS . 18.3 t80 65.77 173.37 0.23 Allowed 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.022 0.826 . . . . 0.0 110.017 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 5' ' ' PHE . 4.1 t70 74.42 -50.36 0.68 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 122.987 0.515 . . . . 0.0 112.316 174.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -119.27 138.98 52.64 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.521 ' HB3' HD12 ' A' ' 43' ' ' LEU . 2.9 t0 -152.56 -168.67 3.12 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 176.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -159.22 -44.34 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.586 0.231 . . . . 0.0 110.632 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tt -92.46 142.07 13.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.493 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -102.21 138.65 38.87 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.968 0.414 . . . . 0.0 110.506 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.449 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 96.5 m-85 -124.95 177.38 6.08 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.795 0.807 . . . . 0.0 111.298 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 4.6 pt20 -147.48 157.28 43.51 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 173.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.576 ' HB ' ' HA3' ' A' ' 39' ' ' GLY . 58.6 t -97.59 125.94 50.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.742 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.43 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 28.0 m -117.02 156.07 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p -122.54 135.84 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-O 121.303 0.573 . . . . 0.0 110.77 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 35' ' ' TRP . 20.2 t-20 -85.19 173.27 10.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.587 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -68.4 -10.03 52.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.038 0.447 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -90.15 3.88 52.1 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 61.17 36.98 17.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.339 -1.301 . . . . 0.0 110.73 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -107.1 138.15 43.81 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 121.427 0.632 . . . . 0.0 109.371 176.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -92.48 139.72 30.3 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 122.167 0.984 . . . . 0.0 111.882 -174.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -139.32 171.54 14.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.113 -1.403 . . . . 0.0 107.996 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.0 pt -117.82 143.99 26.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.158 0.504 . . . . 0.0 110.963 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.428 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 63.3 t-105 -142.89 139.85 17.46 Favored Pre-proline 0 C--N 1.3 -1.576 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.237 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.88 125.87 20.52 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.343 2.029 . . . . 0.0 110.36 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -68.24 -27.03 66.0 Favored 'General case' 0 C--O 1.243 0.735 0 O-C-N 123.648 0.592 . . . . 0.0 111.798 -169.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -81.32 -12.77 58.95 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 122.828 0.451 . . . . 0.0 111.45 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -97.51 158.95 15.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.28 129.92 36.52 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.373 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.401 ' CG2' ' HB2' ' A' ' 35' ' ' TRP . 75.8 mt -71.47 127.99 90.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.172 177.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.08 157.25 35.3 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.399 2.066 . . . . 0.0 112.295 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -72.57 110.08 6.69 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.967 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.52 -16.86 3.33 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.397 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.517 ' CZ3' ' HB2' ' A' ' 17' ' ' ASN . 84.3 m95 -107.21 140.6 39.83 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.431 -0.452 . . . . 0.0 110.649 177.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 36' ' ' ARG . 7.8 tpp180 -110.47 136.81 49.03 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.03 118.66 13.16 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -167.24 91.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.923 0.868 . . . . 0.0 111.579 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.576 ' HA3' ' HB ' ' A' ' 14' ' ' VAL . . . 164.96 -121.45 1.01 Allowed Glycine 0 CA--C 1.522 0.527 0 C-N-CA 119.117 -1.516 . . . . 0.0 112.327 175.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -129.32 137.86 51.25 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 114.806 -0.697 . . . . 0.0 109.542 -175.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -109.32 140.37 43.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.993 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.33 -141.17 8.11 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 119.699 -1.239 . . . . 0.0 111.422 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.521 HD12 ' HB3' ' A' ' 8' ' ' ASP . 2.7 mm? -79.41 175.29 10.74 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.437 -0.382 . . . . 0.0 110.856 -177.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.64 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 55.6 tptt -56.12 -47.5 77.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.893 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.6 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -60.01 -32.78 71.2 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.452 -179.64 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.6 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 45.7 m-20 -69.63 -38.09 77.06 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 64.0 m -71.81 -44.72 63.46 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 124.178 0.924 . . . . 0.0 110.214 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 77.7 mt -55.14 -49.91 70.61 Favored 'General case' 0 C--O 1.242 0.676 0 O-C-N 124.033 0.833 . . . . 0.0 110.741 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.668 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -54.49 -47.41 73.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.254 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 89.8 t80 -53.82 -50.15 66.8 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 123.511 0.507 . . . . 0.0 112.288 -176.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.68 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 2.1 mp -64.33 -34.12 67.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.364 0.602 . . . . 0.0 110.849 -177.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -71.32 -31.44 67.41 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 121.488 -0.758 . . . . 0.0 112.594 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.668 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 5.2 mm-40 -44.5 -62.11 1.3 Allowed 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 118.731 -0.652 . . . . 0.0 112.628 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.68 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.8 p -97.23 -39.82 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-N 120.535 1.516 . . . . 0.0 111.104 -4.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.413 ' CD1' HG13 ' A' ' 54' ' ' VAL . 92.2 m95 -76.97 79.35 3.52 Favored 'General case' 0 N--CA 1.445 -0.717 0 O-C-N 121.971 -0.456 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.4 p 56.68 -81.77 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.484 1.114 . . . . 0.0 113.311 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.71 -175.33 0.1 Allowed 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 123.03 0.532 . . . . 0.0 111.905 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.6 tpt -142.38 65.64 1.35 Allowed 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 122.036 0.922 . . . . 0.0 109.003 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 4.1 ptp180 -147.09 88.93 5.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.905 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.788 ' HG2' ' HB2' ' A' ' 63' ' ' LEU . 18.6 Cg_endo -60.38 151.75 72.16 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 121.732 1.621 . . . . 0.0 112.132 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.97 -36.34 76.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.047 0.451 . . . . 0.0 111.019 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.429 ' CB ' ' HB3' ' A' ' 70' ' ' ALA . 7.8 m -78.32 -1.93 35.58 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.001 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.788 ' HB2' ' HG2' ' A' ' 60' ' ' PRO . 41.4 tp -84.13 -34.05 24.17 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.705 0.764 . . . . 0.0 109.378 175.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -88.09 -43.94 11.31 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -82.51 98.46 8.95 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.453 0.644 . . . . 0.0 109.526 176.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -80.09 -18.19 50.63 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.655 -178.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.438 ' HA ' ' CE ' ' A' ' 67' ' ' MET . 22.3 mmt -83.59 -18.58 37.75 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.538 0.685 . . . . 0.0 109.612 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -86.9 94.28 9.54 Favored 'General case' 0 CA--C 1.502 -0.893 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 170.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -67.4 99.67 0.76 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.714 -169.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.429 ' HB3' ' CB ' ' A' ' 62' ' ' SER . . . -171.13 21.01 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.266 0.555 . . . . 0.0 111.162 176.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.66 139.66 45.58 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.013 0.435 . . . . 0.0 110.119 -178.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.582 0 C-N-CA 120.248 -0.977 . . . . 0.0 111.246 -176.14 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.792 0.33 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.565 HG23 ' CB ' ' A' ' 6' ' ' ASP . 86.1 m -64.85 95.2 0.15 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.24 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 m -163.43 -48.17 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 121.002 0.43 . . . . 0.0 110.479 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.0 t -83.46 -55.31 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-O 121.379 0.609 . . . . 0.0 111.302 -172.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -147.69 68.63 1.12 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.832 0.825 . . . . 0.0 110.72 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.565 ' CB ' HG23 ' A' ' 2' ' ' THR . 0.7 OUTLIER -117.29 0.33 12.21 Favored 'General case' 0 CA--C 1.502 -0.897 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.11 172.46 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 7' ' ' ARG . 59.2 mtt85 -84.32 158.64 21.11 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.079 178.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.6 t70 67.73 23.64 8.57 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 124.24 0.962 . . . . 0.0 110.63 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -80.61 46.48 0.87 Allowed 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.448 0.642 . . . . 0.0 109.542 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.83 HG13 ' HE2' ' A' ' 28' ' ' TYR . 4.4 tt -82.92 144.27 10.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.031 -175.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -95.62 129.08 42.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -113.03 159.35 19.25 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.034 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' NE2' HD11 ' A' ' 31' ' ' ILE . 20.4 pt20 -134.85 147.82 49.99 Favored 'General case' 0 N--CA 1.435 -1.213 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.2 t -91.25 125.41 43.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 m -113.57 145.29 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' ' 20' ' ' GLU . 7.6 p -136.42 140.83 42.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -178.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.582 ' OD1' ' HG2' ' A' ' 21' ' ' GLN . 34.1 p-10 -92.9 -170.38 2.42 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -81.2 7.61 10.83 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.734 0.778 . . . . 0.0 111.374 -176.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -112.6 7.77 18.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.538 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 27.4 tt0 58.88 43.97 17.37 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.888 177.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.582 ' HG2' ' OD1' ' A' ' 17' ' ' ASN . 11.4 pt20 -107.71 143.84 35.66 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 171.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -112.77 143.26 44.3 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -168.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.5 m -154.11 174.76 14.28 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 174.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.3 pt -120.84 146.45 25.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.248 0.547 . . . . 0.0 110.304 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 46.1 t-105 -137.0 138.53 26.03 Favored Pre-proline 0 C--N 1.315 -0.902 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -176.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.513 ' HB3' HD11 ' A' ' 10' ' ' ILE . 33.4 Cg_exo -61.26 130.78 33.52 Favored 'Trans proline' 0 C--O 1.223 -0.232 0 C-N-CA 122.128 1.885 . . . . 0.0 111.344 176.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.24 -23.96 67.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.028 0.83 . . . . 0.0 111.697 -172.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.83 ' HE2' HG13 ' A' ' 10' ' ' ILE . 25.3 m-85 -67.13 -26.68 66.8 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.947 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -100.55 146.63 26.86 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.99 0.424 . . . . 0.0 111.364 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -71.27 139.25 49.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.934 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.455 HD11 ' NE2' ' A' ' 13' ' ' GLN . 41.3 mt -68.88 137.45 90.03 Favored Pre-proline 0 C--O 1.237 0.422 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.726 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -58.51 141.7 97.49 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.599 2.199 . . . . 0.0 110.792 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -67.91 114.27 6.33 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.75 -24.05 2.76 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -108.21 161.25 15.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.954 -0.623 . . . . 0.0 109.718 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 36' ' ' ARG . 17.9 ttp85 -134.55 146.05 49.29 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.08 135.47 44.81 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.486 -178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.21 12.25 22.92 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.672 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.18 -6.46 71.66 Favored Glycine 0 N--CA 1.462 0.386 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.348 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -106.52 110.65 22.92 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.027 0.441 . . . . 0.0 111.726 -174.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.4 t -124.16 148.32 47.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.959 174.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.83 -163.75 37.4 Favored Glycine 0 C--N 1.312 -0.786 0 C-N-CA 121.209 -0.519 . . . . 0.0 112.232 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 43' ' ' LEU . 4.5 mm? -72.59 174.31 7.69 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.895 0.379 . . . . 0.0 110.765 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.604 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 21.7 ttmm -59.49 -53.34 59.2 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.352 -177.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.592 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -56.87 -33.17 66.59 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.901 -177.23 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.592 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 1.9 t70 -70.79 -39.67 73.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.594 -175.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.627 ' O ' HG12 ' A' ' 51' ' ' ILE . 66.5 m -73.75 -42.33 61.24 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.478 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 88.2 mt -57.97 -47.6 82.47 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.435 178.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.25 -40.26 77.26 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 124.023 0.827 . . . . 0.0 110.946 176.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -65.11 -38.89 92.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.381 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.627 HG12 ' O ' ' A' ' 47' ' ' CYS . 22.8 mm -71.32 -34.35 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 121.162 0.506 . . . . 0.0 109.846 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.16 -37.01 78.87 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 123.243 0.617 . . . . 0.0 111.681 175.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.622 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 75.1 mm-40 -44.65 -61.13 1.68 Allowed 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -176.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.622 ' C ' ' HB2' ' A' ' 53' ' ' GLU . 2.7 p -89.99 -34.03 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 119.279 -2.138 . . . . 0.0 108.782 -2.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -165.19 14.83 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 167.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.5 t 165.13 -160.87 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 113.668 -1.605 . . . . 0.0 108.417 -163.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 t70 75.13 -68.28 0.22 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.46 0.704 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.1 ptp -106.86 92.09 3.94 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.64 ' HB3' ' HD3' ' A' ' 60' ' ' PRO . 33.9 ttm180 -66.5 -43.58 52.67 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.685 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.64 ' HD3' ' HB3' ' A' ' 59' ' ' ARG . 3.7 Cg_exo -79.06 105.79 1.98 Allowed 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 123.099 2.533 . . . . 0.0 110.584 167.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.1 tp -66.94 -19.8 65.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.423 -177.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.3 t -69.8 -2.1 11.15 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 123.611 0.569 . . . . 0.0 110.949 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.9 tp -65.59 -48.71 71.41 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 120.59 0.233 . . . . 0.0 111.459 178.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -82.92 -12.22 57.54 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.48 ' HG2' ' HB2' ' A' ' 68' ' ' ASP . 24.8 tt0 -85.04 82.77 8.3 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -80.67 -27.6 37.05 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.353 -170.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 93.3 mtp -73.67 -40.28 63.8 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.48 ' HB2' ' HG2' ' A' ' 65' ' ' GLN . 17.6 m-20 -88.6 108.05 19.23 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.152 0.501 . . . . 0.0 111.205 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -121.65 105.05 10.07 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.357 175.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.69 110.4 1.29 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.755 -173.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.94 -30.16 8.24 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 122.128 0.965 . . . . 0.0 108.843 171.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.582 0 CA-C-O 117.905 -1.497 . . . . 0.0 111.409 177.047 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.434 ' CE ' ' HB3' ' A' ' 48' ' ' LEU . 41.4 ttp . . . . . 0 N--CA 1.471 0.577 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.6 m -108.88 114.28 27.91 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 120.727 0.299 . . . . 0.0 110.764 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.661 ' HB2' ' HB2' ' A' ' 45' ' ' LYS . 25.1 p -86.41 91.01 8.38 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.106 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.493 ' O ' ' HB3' ' A' ' 5' ' ' PHE . 24.9 t -92.73 -24.91 5.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.493 ' HB3' ' O ' ' A' ' 4' ' ' VAL . 65.0 t80 73.58 113.73 0.06 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.194 0.598 . . . . 0.0 109.727 -170.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -74.42 -79.96 0.08 Allowed 'General case' 0 C--N 1.321 -0.67 0 O-C-N 123.613 0.571 . . . . 0.0 111.349 -172.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -158.69 -28.14 0.07 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.778 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.473 ' OD2' ' HB ' ' A' ' 10' ' ' ILE . 34.5 t70 -92.32 136.85 32.86 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.161 -0.337 . . . . 0.0 111.076 -173.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -78.14 49.21 0.79 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 122.163 0.982 . . . . 0.0 110.437 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.473 ' HB ' ' OD2' ' A' ' 8' ' ' ASP . 8.7 tp -84.69 124.04 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 O-C-N 121.615 -0.678 . . . . 0.0 110.502 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.44 ' HG2' HD13 ' A' ' 43' ' ' LEU . 48.8 mt-30 -104.53 133.15 49.88 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.164 -178.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -124.41 164.24 20.08 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 122.61 1.195 . . . . 0.0 111.687 -176.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -139.76 148.71 42.64 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.278 -1.328 . . . . 0.0 108.262 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -90.22 121.82 40.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.5 m -115.41 147.91 18.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-O 121.634 0.731 . . . . 0.0 110.702 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 20' ' ' GLU . 14.2 p -130.88 137.38 56.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.122 179.039 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -84.81 175.78 8.93 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -70.83 -4.29 23.36 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -96.26 7.7 45.77 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.449 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 47.1 mt-10 55.61 29.18 13.1 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.925 178.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -94.72 138.58 32.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.686 171.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -98.87 151.16 21.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.243 0.544 . . . . 0.0 110.637 -173.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.8 m -154.76 171.76 19.06 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.493 -1.23 . . . . 0.0 109.76 172.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.1 pt -113.0 128.53 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 O-C-N 121.677 -0.639 . . . . 0.0 110.603 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -128.98 135.85 28.27 Favored Pre-proline 0 N--CA 1.445 -0.678 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.049 -175.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -57.95 136.51 75.6 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 121.92 1.747 . . . . 0.0 111.129 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.56 -45.4 90.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.065 0.46 . . . . 0.0 111.288 -172.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -69.1 -17.72 63.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.464 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HE2' ' HB2' ' A' ' 29' ' ' LYS . 23.0 ttmm -86.33 142.4 28.52 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.921 -177.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -80.41 130.77 35.38 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 25.7 pt -83.12 144.69 47.64 Favored Pre-proline 0 C--O 1.241 0.611 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.547 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 13.2 Cg_exo -67.59 155.35 70.49 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.149 1.9 . . . . 0.0 110.732 174.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -74.4 124.94 27.45 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.443 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.18 -26.76 3.9 Favored Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -173.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -102.53 150.21 23.62 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.144 -0.528 . . . . 0.0 109.598 176.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -141.88 161.81 37.04 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 123.347 0.404 . . . . 0.0 110.413 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.19 114.24 6.51 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 123.472 0.482 . . . . 0.0 110.384 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.27 -54.56 14.03 Favored 'General case' 0 C--O 1.205 -1.238 0 C-N-CA 122.781 0.433 . . . . 0.0 111.259 -176.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.66 -99.6 0.18 Allowed Glycine 0 C--O 1.24 0.496 0 C-N-CA 119.634 -1.27 . . . . 0.0 112.97 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -101.4 147.09 26.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.027 0.442 . . . . 0.0 110.928 -172.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 p -131.62 154.01 49.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.306 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.94 -127.35 1.47 Allowed Glycine 0 C--O 1.225 -0.458 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.734 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.597 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 4.3 mm? -80.03 175.46 10.61 Favored 'General case' 0 C--O 1.247 0.943 0 CA-C-O 120.538 0.209 . . . . 0.0 110.701 177.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.65 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 84.2 tttt -56.99 -45.62 82.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.022 0.439 . . . . 0.0 111.024 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.661 ' HB2' ' HB2' ' A' ' 3' ' ' SER . 0.0 OUTLIER -59.3 -31.25 68.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.993 178.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 10.7 t70 -66.39 -48.98 68.39 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.759 -177.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.0 p -70.71 -35.94 72.99 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 121.484 0.659 . . . . 0.0 110.772 -176.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 77.1 mt -57.54 -49.69 75.53 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.618 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -57.18 -40.49 77.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.888 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.423 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 60.7 t80 -59.02 -40.65 85.62 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.421 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.608 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -67.54 -34.88 71.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.861 0.362 . . . . 0.0 110.235 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.98 -33.02 74.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.08 177.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.535 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 5.7 mm-40 -46.76 -61.54 1.8 Allowed 'General case' 0 CA--C 1.543 0.686 0 O-C-N 124.493 1.121 . . . . 0.0 112.775 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.608 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.4 p -93.26 -40.93 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 121.51 1.959 . . . . 0.0 108.706 -7.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -134.7 14.92 3.67 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 172.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -129.4 36.93 4.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 113.324 -1.762 . . . . 0.0 106.64 -176.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -48.69 141.69 6.95 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 113.604 -1.635 . . . . 0.0 112.825 -171.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.86 ' HG3' ' HD2' ' A' ' 60' ' ' PRO . 13.6 tpt -168.47 126.98 1.13 Allowed 'General case' 0 C--O 1.24 0.593 0 CA-C-N 113.31 -1.768 . . . . 0.0 108.222 177.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.67 ' HB3' ' HD3' ' A' ' 60' ' ' PRO . 19.0 tpp180 -57.99 -46.83 99.67 Favored Pre-proline 0 N--CA 1.451 -0.413 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -176.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.86 ' HD2' ' HG3' ' A' ' 58' ' ' MET . 37.3 Cg_exo -64.45 94.47 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.381 2.054 . . . . 0.0 110.83 168.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 61' ' ' LEU . 40.5 mt -82.8 -29.14 29.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.568 -174.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.7 m -72.05 -30.42 65.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.393 0.616 . . . . 0.0 109.878 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 48.7 tp -69.25 -35.73 76.42 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 173.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.1 tpt85 -79.45 -33.13 42.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.923 0.392 . . . . 0.0 110.662 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 70.12 122.21 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.411 1.085 . . . . 0.0 113.409 177.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -98.86 -0.18 42.94 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.606 -1.179 . . . . 0.0 108.773 172.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 58.2 ttp -77.09 -23.26 51.89 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.758 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -70.31 -69.84 0.33 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.084 0.468 . . . . 0.0 112.134 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -135.22 -50.57 0.75 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.715 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.12 116.75 17.12 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 121.364 0.602 . . . . 0.0 111.415 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.07 139.72 58.02 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.062 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.973 0 CA-C-O 119.018 -0.879 . . . . 0.0 111.475 -179.68 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 121.129 0.49 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m -75.5 145.89 41.02 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 m -68.74 90.41 0.41 Allowed 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.583 0.706 . . . . 0.0 110.129 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 5' ' ' PHE . 12.4 p -74.42 -13.99 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 123.333 0.653 . . . . 0.0 109.648 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' A' ' 4' ' ' VAL . 72.5 t80 72.69 106.7 0.07 Allowed 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.513 1.133 . . . . 0.0 110.735 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 3.2 m-20 -78.72 133.62 37.14 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 174.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -75.52 -43.16 50.32 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.256 0.551 . . . . 0.0 112.06 -174.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -97.66 -33.68 11.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.47 -177.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.461 ' OD2' ' HB3' ' A' ' 43' ' ' LEU . 7.2 t70 -88.55 102.38 14.88 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -178.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.5 pt -91.39 -160.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.362 -176.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.428 HE21 HD13 ' A' ' 43' ' ' LEU . 2.7 mp0 -99.5 124.89 45.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.278 0.561 . . . . 0.0 110.878 -174.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.529 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . 7.5 m-85 -131.48 -178.94 5.08 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 122.257 1.027 . . . . 0.0 111.131 -176.097 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -156.24 161.5 40.25 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.6 t -98.78 133.92 39.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 O-C-N 123.557 0.535 . . . . 0.0 110.068 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 17.0 m -115.66 142.18 29.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 O-C-N 123.773 0.671 . . . . 0.0 110.167 177.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.483 ' HB ' ' HB2' ' A' ' 38' ' ' ALA . 14.5 p -113.83 136.2 51.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.691 0.757 . . . . 0.0 111.796 -174.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB3' ' H ' ' A' ' 21' ' ' GLN . 26.6 t-20 -82.1 164.96 20.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.204 177.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -68.63 -3.91 13.6 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.859 0.838 . . . . 0.0 111.983 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -114.44 17.04 17.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.613 176.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 57.9 49.31 12.12 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.962 1.305 . . . . 0.0 112.398 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' H ' ' HB3' ' A' ' 17' ' ' ASN . 2.0 mp0 -91.71 140.59 29.56 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 167.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -108.75 121.9 46.02 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -177.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.6 m -128.48 163.88 23.96 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.2 pt -108.81 139.67 30.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 C-N-CA 120.376 -0.53 . . . . 0.0 109.999 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -142.22 132.94 12.77 Favored Pre-proline 0 N--CA 1.445 -0.695 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.51 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -55.11 126.74 23.58 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.771 2.314 . . . . 0.0 112.402 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -5.4 32.02 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.257 0.551 . . . . 0.0 111.908 -174.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -72.35 -38.41 68.58 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.14 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -100.47 166.26 11.03 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 123.824 0.703 . . . . 0.0 110.507 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -73.51 143.51 46.53 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.472 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.495 HG23 HG11 ' A' ' 15' ' ' VAL . 66.8 mt -61.13 135.6 93.49 Favored Pre-proline 0 C--O 1.239 0.516 0 C-N-CA 122.788 0.435 . . . . 0.0 110.621 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.3 135.81 46.47 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.875 2.383 . . . . 0.0 111.15 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -62.55 121.12 12.52 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.678 0.751 . . . . 0.0 111.272 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.91 -15.63 18.85 Favored Glycine 0 C--O 1.227 -0.318 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.26 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.504 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 50.9 m95 -105.81 164.13 12.18 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 123.852 0.383 . . . . 0.0 110.884 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 94.4 mtt180 -139.36 155.8 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.229 0.331 . . . . 0.0 110.212 177.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.93 126.39 29.55 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.726 0.298 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HB2' ' HB ' ' A' ' 16' ' ' VAL . . . -118.4 132.24 56.26 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.582 -176.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.2 -91.99 1.04 Allowed Glycine 0 C--N 1.309 -0.951 0 O-C-N 123.984 0.803 . . . . 0.0 113.792 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -151.55 167.91 26.57 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.655 0.74 . . . . 0.0 111.63 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -125.98 159.72 31.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.412 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.47 -137.21 5.47 Favored Glycine 0 CA--C 1.498 -1.021 0 CA-C-O 119.635 -0.536 . . . . 0.0 111.775 -178.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.461 ' HB3' ' OD2' ' A' ' 9' ' ' ASP . 3.9 mm? -67.35 158.73 30.91 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 117.472 0.636 . . . . 0.0 109.544 175.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.571 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 24.9 ttpp -63.33 -42.18 98.95 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.098 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -29.48 70.54 Favored 'General case' 0 N--CA 1.44 -0.939 0 O-C-N 123.897 0.748 . . . . 0.0 111.02 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.457 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 67.0 m-20 -71.41 -33.41 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.7 m -75.34 -38.42 60.19 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.453 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 75.8 mt -60.84 -42.09 97.1 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.744 173.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.61 74.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.756 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.719 ' HA ' ' HG3' ' A' ' 53' ' ' GLU . 75.2 t80 -58.17 -34.09 69.93 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.707 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -70.99 -33.03 50.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.305 0.574 . . . . 0.0 110.059 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -64.51 -41.05 96.64 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.7 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.719 ' HG3' ' HA ' ' A' ' 50' ' ' TYR . 4.3 mt-10 -46.91 -61.38 1.89 Allowed 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 118.04 -0.981 . . . . 0.0 113.309 -174.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.707 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.5 p -97.63 -37.69 6.99 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 CA-C-N 121.251 1.841 . . . . 0.0 110.221 -2.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -85.67 -36.51 20.22 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.933 -0.479 . . . . 0.0 110.693 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 t -127.7 119.66 26.3 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.581 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -60.29 106.34 0.52 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.022 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.4 ttt -118.2 -46.24 2.62 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-O 122.107 0.956 . . . . 0.0 110.538 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.454 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 43.1 ttm180 -130.59 91.27 38.19 Favored Pre-proline 0 N--CA 1.453 -0.307 0 O-C-N 121.778 -0.576 . . . . 0.0 109.764 173.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' A' ' 59' ' ' ARG . 19.2 Cg_endo -61.07 165.45 12.35 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.244 2.629 . . . . 0.0 112.328 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.2 tp -72.33 -24.05 61.24 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.313 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.2 m -52.06 -56.72 12.6 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.414 HD22 ' HG2' ' A' ' 60' ' ' PRO . 2.1 pt? -87.93 -4.19 58.85 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.473 0.654 . . . . 0.0 110.836 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 64' ' ' ARG . 18.9 ttt180 -82.43 -28.31 31.4 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.713 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.554 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 59.9 tp60 -94.48 113.36 25.2 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 174.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -90.94 -52.56 4.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.929 -168.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 25.2 ptm -84.99 -16.11 41.94 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.257 -172.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.554 ' HB3' ' CG ' ' A' ' 65' ' ' GLN . 25.5 t70 -108.4 116.89 32.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.393 0.616 . . . . 0.0 110.302 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -171.34 167.17 6.94 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 122.933 0.493 . . . . 0.0 109.779 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.8 34.81 0.45 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.372 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -118.42 4.94 11.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.494 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.188 -1.34 . . . . 0.0 111.114 179.409 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.955 0.407 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.43 ' HB ' ' OE2' ' A' ' 27' ' ' GLU . 13.0 t -61.35 143.61 55.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.382 175.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 t -102.69 139.42 38.3 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 -177.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -69.01 -22.84 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -104.01 102.47 12.24 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -84.4 85.55 7.38 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 121.255 0.55 . . . . 0.0 110.11 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.6 69.73 1.11 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.631 ' HB2' HD11 ' A' ' 43' ' ' LEU . 5.7 p-10 -177.32 -39.18 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.036 -173.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.455 ' O ' HG22 ' A' ' 10' ' ' ILE . 32.7 t70 74.73 119.79 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 114.256 -1.338 . . . . 0.0 112.22 171.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 9' ' ' ASP . 8.2 tp 68.16 85.43 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.427 1.491 . . . . 0.0 112.293 167.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -92.46 153.36 19.16 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.093 -1.867 . . . . 0.0 110.643 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -128.4 179.95 5.36 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.704 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 25.3 pt20 -149.07 155.18 40.36 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.841 ' HB ' ' HA3' ' A' ' 39' ' ' GLY . 41.7 t -99.68 123.54 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.202 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -117.24 163.31 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-O 121.056 0.455 . . . . 0.0 109.924 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 p -129.08 144.34 38.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.495 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -91.76 -178.23 4.99 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 176.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -77.89 -4.2 45.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.154 0.502 . . . . 0.0 110.925 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.48 ' HB2' ' HG3' ' A' ' 21' ' ' GLN . 14.6 mp0 -104.85 8.51 34.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.027 0.441 . . . . 0.0 110.072 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 70.01 22.38 5.78 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 122.341 1.067 . . . . 0.0 109.635 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.48 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 91.5 mt-30 -78.08 127.34 32.17 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.369 171.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -103.31 144.41 31.39 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 123.358 0.411 . . . . 0.0 110.953 -176.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 t -151.45 176.1 11.63 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.8 pt -110.94 145.2 17.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.439 0.637 . . . . 0.0 111.434 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.426 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 71.7 t-105 -140.54 142.05 27.6 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 115.168 -0.923 . . . . 0.0 108.601 -178.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.69 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 52.1 Cg_exo -52.69 128.84 29.83 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.757 1.638 . . . . 0.0 111.92 176.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HG3' ' HB3' ' A' ' 41' ' ' SER . 4.9 tm-20 -64.89 -31.45 72.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.581 0.551 . . . . 0.0 111.481 -174.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.469 ' OH ' ' HE2' ' A' ' 29' ' ' LYS . 19.8 p90 -84.55 -12.51 54.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.602 -175.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.69 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 62.3 mttm -95.09 158.13 15.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 119.58 -0.248 . . . . 0.0 110.441 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -82.04 132.12 35.25 Favored 'General case' 0 N--CA 1.441 -0.895 0 O-C-N 124.109 0.881 . . . . 0.0 110.18 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.6 mt -74.39 137.4 74.82 Favored Pre-proline 0 N--CA 1.451 -0.389 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.201 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.25 146.94 96.84 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 122.579 2.186 . . . . 0.0 112.121 175.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.41 96.47 6.05 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -175.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.48 -23.13 0.43 Allowed Glycine 0 C--N 1.306 -1.118 0 CA-C-N 113.899 -1.5 . . . . 0.0 109.806 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -107.73 146.44 32.11 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -126.45 139.83 52.94 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.78 126.08 28.8 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.8 -15.48 2.06 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.224 0.535 . . . . 0.0 111.858 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.841 ' HA3' ' HB ' ' A' ' 14' ' ' VAL . . . -109.52 -176.75 21.27 Favored Glycine 0 N--CA 1.439 -1.148 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.619 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -80.18 170.55 16.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.744 0.307 . . . . 0.0 110.557 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.443 ' HB3' ' HG3' ' A' ' 27' ' ' GLU . 4.7 m -122.54 149.22 44.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.671 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.15 -149.84 20.03 Favored Glycine 0 C--O 1.222 -0.614 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.631 HD11 ' HB2' ' A' ' 8' ' ' ASP . 3.7 mm? -65.12 161.23 19.44 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.615 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 88.2 tttt -63.64 -47.38 81.55 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.082 -175.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -61.54 -34.44 75.56 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.879 -179.167 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 35.4 t70 -68.37 -37.47 80.47 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.804 0.811 . . . . 0.0 110.312 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 77.0 m -70.43 -40.51 73.76 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.128 176.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 84.3 mt -60.07 -42.31 94.26 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 121.29 0.567 . . . . 0.0 110.788 176.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.4 -40.16 77.68 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.912 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.562 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 68.2 t80 -57.13 -42.64 81.33 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.304 176.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.541 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.7 mp -60.47 -34.75 59.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-O 121.272 0.558 . . . . 0.0 110.272 -177.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.43 -43.09 99.66 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.5 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.608 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 21.9 mm-40 -45.68 -62.96 1.08 Allowed 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.909 0.755 . . . . 0.0 112.762 -174.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.608 ' C ' ' HB2' ' A' ' 53' ' ' GLU . 2.2 p -92.45 -45.31 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 121.981 2.173 . . . . 0.0 110.507 -1.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 55.3 t90 -87.71 -35.07 18.15 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 122.094 0.949 . . . . 0.0 109.17 173.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -159.72 140.67 12.43 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 114.414 -1.267 . . . . 0.0 109.077 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.616 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 8.9 p-10 -85.65 139.48 31.36 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.116 -0.633 . . . . 0.0 111.141 -173.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.4 ptp -81.22 87.26 6.11 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.983 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 66.78 136.96 0.05 OUTLIER Pre-proline 0 N--CA 1.469 0.491 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.24 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.416 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 4.3 Cg_endo -43.71 93.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.915 3.077 . . . . 0.0 113.953 -169.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.616 ' HG ' ' HB2' ' A' ' 57' ' ' ASP . 2.8 pp -91.06 1.31 57.18 Favored 'General case' 0 N--CA 1.437 -1.078 0 O-C-N 122.177 -0.327 . . . . 0.0 110.736 175.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.3 m -66.95 -17.64 65.01 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 -174.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.653 ' H ' HD23 ' A' ' 63' ' ' LEU . 1.6 pt? -107.18 -16.81 14.32 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.429 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.57 ' HG2' ' HA ' ' A' ' 61' ' ' LEU . 14.1 ptm180 -101.22 -40.35 7.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.285 -177.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 59.75 -179.37 0.09 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-O 122.007 0.908 . . . . 0.0 111.166 -175.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -92.48 -1.32 57.06 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -100.37 36.8 1.8 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.754 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -46.26 -44.41 16.41 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 123.953 0.901 . . . . 0.0 112.364 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -161.51 160.92 29.72 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.203 0.525 . . . . 0.0 111.435 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.26 132.57 45.99 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 118.89 -0.576 . . . . 0.0 109.76 175.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 65.82 19.86 11.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.809 0.693 . . . . 0.0 110.585 -175.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.745 -1.031 . . . . 0.0 112.576 -178.237 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 C--O 1.209 -1.052 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.1 m -72.81 124.57 25.64 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.051 0.453 . . . . 0.0 111.251 -174.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m 65.36 18.31 11.3 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.875 173.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -79.06 -17.5 13.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 CA-C-O 121.964 0.888 . . . . 0.0 109.983 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -72.94 106.39 4.83 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.325 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -119.5 143.66 47.44 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 122.783 0.433 . . . . 0.0 110.571 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -82.47 -64.85 1.09 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.375 0.607 . . . . 0.0 112.088 -173.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -114.44 85.08 2.17 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.708 -173.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.481 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 7.2 p-10 -95.66 -110.57 0.14 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 167.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.713 HG23 ' HB2' ' A' ' 44' ' ' LYS . 7.1 tp -157.07 110.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 122.064 0.935 . . . . 0.0 109.051 171.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.789 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 88.9 mt-30 -102.36 133.42 47.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.678 -173.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.683 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 97.9 m-85 -122.02 177.17 5.43 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 122.443 1.116 . . . . 0.0 111.661 -174.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -138.91 146.4 41.03 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 113.733 -1.576 . . . . 0.0 106.956 169.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.36 121.23 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.843 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.619 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.437 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 16.4 m -114.76 146.71 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-O 121.256 0.55 . . . . 0.0 110.787 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -118.77 134.59 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-O 121.158 0.504 . . . . 0.0 110.474 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -89.15 168.39 12.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.74 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -71.26 2.06 5.25 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 121.178 0.513 . . . . 0.0 111.623 -175.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -104.73 9.1 35.15 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.455 0.645 . . . . 0.0 109.822 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 59.6 48.97 8.91 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.177 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -116.54 130.06 56.54 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.707 170.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -92.24 147.81 22.64 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.762 0.791 . . . . 0.0 111.781 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.9 m -149.92 170.25 19.26 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.2 pt -120.49 128.99 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.929 0 CA-C-O 121.234 0.54 . . . . 0.0 110.93 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 47.3 t-105 -118.18 132.09 23.9 Favored Pre-proline 0 C--N 1.309 -1.183 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.168 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 52.2 Cg_exo -56.39 116.15 2.98 Favored 'Trans proline' 0 C--N 1.334 -0.218 0 C-N-CA 121.913 1.742 . . . . 0.0 112.232 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -51.54 -26.7 9.02 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.478 ' HE2' ' H ' ' A' ' 11' ' ' GLN . 27.8 m-85 -61.1 -39.99 92.04 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.405 0.622 . . . . 0.0 110.873 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -96.19 153.32 17.86 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.525 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -81.8 135.17 35.47 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.25 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 23.9 pt -72.97 155.52 90.41 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 121.217 0.532 . . . . 0.0 111.385 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -85.4 159.3 11.05 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 123.202 2.601 . . . . 0.0 111.55 174.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -64.79 130.14 42.41 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.204 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.78 -16.48 8.9 Favored Glycine 0 C--N 1.31 -0.879 0 C-N-CA 120.253 -0.975 . . . . 0.0 111.801 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.437 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 91.4 m95 -107.94 144.99 34.45 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.051 0.453 . . . . 0.0 110.034 175.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -118.03 133.8 55.57 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 116.334 -0.394 . . . . 0.0 109.978 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.25 124.77 28.3 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -173.57 102.61 0.12 Allowed 'General case' 0 C--O 1.242 0.677 0 CA-C-O 121.135 0.493 . . . . 0.0 111.425 -170.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.58 -89.09 0.14 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.273 -0.965 . . . . 0.0 113.367 174.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -136.86 132.18 34.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.095 0.474 . . . . 0.0 110.296 -175.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 m -118.84 117.96 30.27 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.932 175.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.34 -150.49 10.17 Favored Glycine 0 CA--C 1.501 -0.786 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.789 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -92.88 176.58 6.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.763 0.782 . . . . 0.0 111.566 178.494 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.713 ' HB2' HG23 ' A' ' 10' ' ' ILE . 64.8 tttp -46.54 -51.34 15.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.872 0.869 . . . . 0.0 113.267 -174.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HD2' ' C ' ' A' ' 45' ' ' LYS . 1.1 tmmt? -62.76 -47.09 85.05 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.26 -0.176 . . . . 0.0 111.303 -174.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -70.0 -32.79 71.14 Favored 'General case' 0 CA--C 1.508 -0.671 0 O-C-N 123.571 0.545 . . . . 0.0 110.773 -175.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 51.8 m -66.05 -53.35 39.48 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.921 0.867 . . . . 0.0 110.146 176.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.6 tp -55.57 -49.55 72.44 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.256 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.687 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -52.14 -41.22 62.35 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 123.957 0.786 . . . . 0.0 111.386 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.508 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 76.2 t80 -59.67 -47.7 84.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.401 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.596 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.9 mp -68.8 -38.21 78.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 O-C-N 121.44 -0.788 . . . . 0.0 111.633 -171.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.71 -36.96 85.59 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.443 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.687 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 52.4 mm-40 -50.04 -62.98 1.26 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.596 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.7 p -94.61 -41.84 12.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-N 121.436 1.926 . . . . 0.0 110.786 -2.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -107.56 56.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.717 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.2 p -88.22 -159.81 0.58 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.441 172.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -145.65 89.36 1.91 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.0 tpp -168.33 118.11 0.76 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.512 -177.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.515 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 10.6 mpt_? -92.13 -56.8 0.24 Allowed Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.515 ' HD3' ' HB2' ' A' ' 59' ' ' ARG . 90.4 Cg_endo -78.64 53.51 4.64 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 122.979 2.453 . . . . 0.0 112.452 -178.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.441 HD21 ' HB1' ' A' ' 49' ' ' ALA . 3.1 pp -79.22 6.46 9.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.39 0.614 . . . . 0.0 111.463 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.2 p -67.35 -11.31 57.35 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.189 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -70.69 -7.77 47.07 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.997 0.427 . . . . 0.0 109.965 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -74.34 -21.83 59.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.406 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -83.34 160.02 21.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.256 0.55 . . . . 0.0 111.889 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -87.6 -9.57 53.92 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.409 176.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 50.3 tpp -69.31 -29.04 66.8 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.681 175.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -80.88 178.66 8.26 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.236 -178.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -67.99 113.44 5.69 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.824 0.345 . . . . 0.0 111.401 -175.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.81 144.33 48.93 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.61 0.719 . . . . 0.0 109.997 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.41 111.06 19.59 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.54 176.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.868 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -178.449 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptp . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.3 m -133.32 109.68 9.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.227 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 m -137.39 105.15 5.58 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.545 -177.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.4 t -87.77 -42.5 15.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 170.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -138.84 105.18 5.27 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.189 -1.369 . . . . 0.0 108.299 170.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.469 ' HB3' ' OD2' ' A' ' 8' ' ' ASP . 7.6 t70 -81.48 -179.54 7.42 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.749 -172.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' A' ' 7' ' ' ARG . 1.5 mpp_? -80.99 5.2 17.07 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.233 0.539 . . . . 0.0 111.232 -172.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.469 ' OD2' ' HB3' ' A' ' 6' ' ' ASP . 4.3 p30 -76.37 -17.58 59.31 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 171.284 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.8 121.43 35.24 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.964 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 tp -142.57 102.76 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.073 0 CA-C-O 121.864 0.84 . . . . 0.0 111.406 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.8 137.29 42.03 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.588 0.709 . . . . 0.0 110.344 -178.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -121.57 172.86 7.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.354 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 4.8 pt20 -145.19 152.78 40.55 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.077 -0.965 . . . . 0.0 108.683 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.75 129.68 44.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.871 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.9 m -114.49 141.57 30.42 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 C-N-CA 119.963 -0.695 . . . . 0.0 110.028 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 13.9 p -121.67 138.26 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.549 -177.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.51 ' HB3' ' HB3' ' A' ' 21' ' ' GLN . 61.9 t30 -90.87 164.34 14.08 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 175.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -73.93 16.05 0.25 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.145 0.498 . . . . 0.0 111.227 -176.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -102.56 5.11 39.14 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 170.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 63.78 41.89 6.56 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -171.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.514 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 59.7 tp60 -94.06 120.14 33.9 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.004 -177.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -95.59 128.54 42.54 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.846 0.355 . . . . 0.0 111.741 -175.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -148.16 170.27 18.2 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 pt -119.03 149.48 21.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 O-C-N 121.993 -0.442 . . . . 0.0 110.434 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.431 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 68.1 t-105 -147.27 138.74 13.39 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.97 132.71 53.89 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.744 2.296 . . . . 0.0 112.09 175.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -71.28 -25.82 62.61 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.791 0.329 . . . . 0.0 111.295 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -64.91 -27.61 68.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.418 0.627 . . . . 0.0 110.817 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -96.2 147.86 23.31 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.478 -175.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -68.51 143.39 54.98 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.2 mt -69.4 129.88 91.3 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -56.45 148.14 64.51 Favored 'Trans proline' 0 C--O 1.243 0.763 0 C-N-CA 122.801 2.334 . . . . 0.0 113.176 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -64.93 121.13 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.371 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.5 -20.79 7.33 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.797 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -105.51 155.1 19.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.039 0.447 . . . . 0.0 110.099 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.54 ' HA ' ' HE ' ' A' ' 36' ' ' ARG . 2.3 tpm_? -125.02 144.13 50.55 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.99 131.04 44.74 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 121.109 0.481 . . . . 0.0 110.9 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.01 112.14 23.37 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.85 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.53 87.93 0.01 OUTLIER Glycine 0 N--CA 1.471 0.972 0 O-C-N 124.709 1.256 . . . . 0.0 115.822 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.747 ' HG2' ' HB2' ' A' ' 50' ' ' TYR . 46.9 tptt -170.85 98.07 0.22 Allowed 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 171.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 p -130.81 149.81 52.27 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 123.541 0.526 . . . . 0.0 110.518 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.07 -143.7 10.23 Favored Glycine 0 C--N 1.308 -0.999 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.474 ' HB2' ' HE3' ' A' ' 45' ' ' LYS . 4.1 mm? -68.2 153.07 44.48 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.105 176.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.489 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 53.4 tttm -51.69 -40.87 60.88 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.192 0.597 . . . . 0.0 110.727 -176.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.64 -32.4 71.57 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -179.363 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.43 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 38.3 t70 -69.57 -37.59 77.05 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.257 0.551 . . . . 0.0 110.477 -177.247 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.8 m -71.64 -37.42 70.84 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-O 121.322 0.582 . . . . 0.0 109.875 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 78.9 mt -61.98 -42.98 99.74 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.946 176.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HA ' ' OE2' ' A' ' 52' ' ' GLU . . . -57.04 -40.72 77.33 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.225 177.124 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.747 ' HB2' ' HG2' ' A' ' 40' ' ' LYS . 89.9 t80 -53.7 -49.47 67.98 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 123.673 0.608 . . . . 0.0 111.478 176.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.674 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.8 mp -61.08 -35.08 63.03 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 121.312 0.577 . . . . 0.0 110.417 -179.244 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' OE2' ' HA ' ' A' ' 49' ' ' ALA . 49.4 mt-10 -59.29 -44.5 92.49 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.671 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.524 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 23.6 mm-40 -45.52 -62.76 1.15 Allowed 'General case' 0 N--CA 1.475 0.784 0 O-C-N 124.703 1.252 . . . . 0.0 113.546 -174.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.6 p -93.43 -38.37 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 121.445 1.929 . . . . 0.0 109.921 -3.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -106.85 42.8 1.23 Allowed 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 174.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.436 ' H ' ' HB3' ' A' ' 53' ' ' GLU . 79.6 p 60.0 78.05 0.29 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-N 114.7 -1.136 . . . . 0.0 111.072 -176.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD2' ' HG2' ' A' ' 59' ' ' ARG . 49.1 t0 -103.44 146.55 28.34 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.009 -177.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.8 ttt -103.61 -6.52 21.57 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.645 -169.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 24.8 ptt180 -66.55 146.06 99.02 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 59' ' ' ARG . 39.5 Cg_exo -61.02 83.49 0.08 OUTLIER 'Trans proline' 0 C--O 1.245 0.868 0 C-N-CA 123.493 2.795 . . . . 0.0 113.388 -170.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.449 ' H ' ' HG ' ' A' ' 61' ' ' LEU . 3.1 pp -90.99 -19.15 23.54 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.875 0.369 . . . . 0.0 111.079 170.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.13 -30.65 60.86 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.121 -174.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 pp -85.33 -3.83 58.96 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.054 175.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -95.66 -51.07 4.67 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.761 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 60.72 -167.26 0.19 Allowed 'General case' 0 C--O 1.247 0.96 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.775 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.404 ' HE2' ' CD ' ' A' ' 52' ' ' GLU . 68.9 m-70 -96.64 -53.77 3.45 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.706 0.765 . . . . 0.0 108.99 173.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 22.5 ttt -72.82 -35.04 67.21 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.379 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t70 71.3 168.03 0.31 Allowed 'General case' 0 N--CA 1.473 0.717 0 O-C-N 124.172 0.92 . . . . 0.0 109.342 -174.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.85 -11.45 59.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.514 0.673 . . . . 0.0 110.611 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 66.09 29.03 10.14 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.775 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.25 106.96 4.01 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.799 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.797 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.647 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.587 ' N ' ' HH ' ' A' ' 28' ' ' TYR . 94.4 mt-30 . . . . . 0 C--O 1.236 0.394 0 CA-C-O 122.123 0.964 . . . . 0.0 111.49 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -130.36 178.51 6.53 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 113.812 -1.54 . . . . 0.0 108.589 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -145.47 159.26 43.36 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.019 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.482 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 82.8 t -96.33 127.77 48.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.0 m -116.21 145.42 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-O 121.207 0.527 . . . . 0.0 111.186 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.0 p -120.4 133.96 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-O 121.506 0.67 . . . . 0.0 110.451 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.644 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 44.3 t30 -89.7 170.16 10.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.793 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -69.11 -4.02 15.65 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 121.08 0.466 . . . . 0.0 111.514 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.32 9.85 41.18 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 171.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 53.59 39.13 29.69 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 124.036 0.934 . . . . 0.0 112.431 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.644 ' HG2' ' HB3' ' A' ' 17' ' ' ASN . 20.9 pt20 -96.99 148.04 23.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.005 174.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.426 ' CE2' HG11 ' A' ' 54' ' ' VAL . 50.2 m-85 -108.75 122.79 47.89 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.49 0.662 . . . . 0.0 110.548 -173.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -131.84 173.76 10.84 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -177.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.6 pt -113.21 151.35 15.1 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 CA-C-O 121.041 0.448 . . . . 0.0 110.242 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 64.2 t-105 -147.82 136.47 11.42 Favored Pre-proline 0 N--CA 1.446 -0.639 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 33.1 Cg_exo -63.58 140.24 74.25 Favored 'Trans proline' 0 N--CA 1.479 0.662 0 C-N-CA 122.163 1.909 . . . . 0.0 112.501 178.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -61.66 -25.69 67.54 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.72 0.772 . . . . 0.0 111.842 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.587 ' HH ' ' N ' ' A' ' 11' ' ' GLN . 6.6 m-85 -87.94 -4.19 58.85 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.316 -172.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -111.38 146.11 37.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.43 0.633 . . . . 0.0 110.306 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.19 138.17 45.5 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.969 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.3 mt -76.33 136.24 68.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -58.97 140.75 96.74 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 121.95 1.767 . . . . 0.0 110.813 174.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -63.63 122.26 15.93 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.969 0.793 . . . . 0.0 110.795 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.47 -13.32 7.38 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.531 -176.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -117.49 162.64 17.65 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -142.12 161.8 37.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.92 141.52 34.45 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.204 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.482 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -149.92 164.38 35.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.505 -178.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.1 -125.16 9.46 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.193 -1.003 . . . . 0.0 112.465 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -127.36 145.73 50.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.526 -0.337 . . . . 0.0 111.007 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 m -103.26 147.36 27.15 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.81 -145.18 10.16 Favored Glycine 0 C--O 1.217 -0.958 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.55 -176.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.437 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 3.2 mm? -74.06 168.6 19.2 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 117.133 0.466 . . . . 0.0 110.22 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.624 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 28.9 ttpp -62.35 -41.64 98.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.089 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.24 -31.98 70.71 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 123.606 0.566 . . . . 0.0 112.004 177.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.433 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 24.1 m-20 -67.58 -37.82 83.17 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.45 0.643 . . . . 0.0 110.49 176.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.415 ' O ' HD13 ' A' ' 51' ' ' ILE . 63.0 m -72.75 -41.62 64.91 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.568 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 69.1 mt -59.66 -51.2 70.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.893 0.378 . . . . 0.0 110.503 178.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -57.18 -45.77 83.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.679 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.569 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 87.4 t80 -57.92 -51.53 69.24 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 123.954 0.784 . . . . 0.0 112.386 -178.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.7 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.7 mp -61.51 -33.88 59.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 CA-C-O 121.023 0.439 . . . . 0.0 110.707 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.77 -43.61 94.25 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.209 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.668 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 4.3 mm-40 -49.18 -61.07 2.28 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -174.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.7 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.8 p . . . . . 0 C--N 1.348 0.521 0 O-C-N 119.153 -2.217 . . . . 0.0 108.236 -5.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.518 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 2.6 mp0 . . . . . 0 CA--C 1.516 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -124.87 177.22 6.13 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.73 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -149.04 153.48 37.92 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.528 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 47.7 t -92.06 129.21 43.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 16.6 m -114.18 138.69 43.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.325 0.583 . . . . 0.0 110.569 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' A' ' 20' ' ' GLU . 8.0 p -117.41 130.81 71.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.728 0.775 . . . . 0.0 109.572 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -79.77 170.42 16.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.307 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -68.78 -1.61 7.49 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.874 0.845 . . . . 0.0 110.885 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -111.02 16.3 21.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.138 174.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 12.7 pt-20 49.58 49.1 20.53 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 122.918 1.342 . . . . 0.0 110.85 -177.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 3.1 tp-100 -92.85 128.68 38.8 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.157 172.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -96.76 136.92 36.62 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.007 0.432 . . . . 0.0 111.834 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -154.3 173.2 16.49 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.196 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 pt -112.3 144.68 19.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -143.75 135.99 13.27 Favored Pre-proline 0 C--N 1.316 -0.89 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -59.53 127.37 23.52 Favored 'Trans proline' 0 CA--C 1.516 -0.378 0 C-N-CA 122.023 1.815 . . . . 0.0 111.506 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' A' ' 11' ' ' GLN . 5.6 pt-20 -70.75 -14.93 62.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.057 0.456 . . . . 0.0 111.468 -172.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -65.65 -32.75 74.49 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.718 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -103.0 157.31 17.07 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.829 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -75.71 150.91 37.75 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.893 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.432 HD11 ' HB2' ' A' ' 37' ' ' ALA . 42.1 mt -77.69 135.7 63.97 Favored Pre-proline 0 C--N 1.322 -0.617 0 C-N-CA 123.235 0.614 . . . . 0.0 110.38 -176.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -57.17 143.6 92.82 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 122.257 1.971 . . . . 0.0 111.202 172.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -68.05 122.02 17.35 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.24 -20.33 5.61 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -173.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.429 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 36.3 m95 -118.09 159.81 22.59 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 124.604 0.826 . . . . 0.0 109.004 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -136.24 152.15 50.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.994 0.184 . . . . 0.0 110.523 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.432 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -73.13 134.07 44.34 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.67 0.272 . . . . 0.0 110.747 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.528 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -153.85 167.37 29.9 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -177.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.68 -105.04 1.64 Allowed Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 114.944 0.738 . . . . 0.0 114.944 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.413 ' HD2' ' O ' ' A' ' 46' ' ' ASP . 63.4 mttm -128.62 141.23 51.42 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.075 0.464 . . . . 0.0 111.129 -175.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 t -123.6 117.0 24.03 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 173.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' A' ' 11' ' ' GLN . . . 172.45 -130.02 1.83 Allowed Glycine 0 CA--C 1.494 -1.28 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.973 -173.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.453 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 4.0 mm? -75.41 156.65 35.14 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.745 0.273 . . . . 0.0 110.852 178.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.623 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 27.7 ttpp -59.91 -41.28 91.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.049 0.452 . . . . 0.0 110.942 -178.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.453 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -63.31 -30.65 71.75 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.616 -179.135 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.413 ' O ' ' HD2' ' A' ' 40' ' ' LYS . 20.9 m-20 -72.48 -35.54 68.23 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.346 1.029 . . . . 0.0 110.529 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.7 m -73.26 -44.78 58.72 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.889 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 66.2 mt -55.98 -44.06 78.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.403 0.62 . . . . 0.0 110.343 176.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.16 -48.7 67.77 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.379 177.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.544 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 92.3 t80 -54.67 -46.27 74.03 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.426 -177.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.687 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 2.0 mp -64.36 -34.89 72.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.495 -176.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.1 -42.09 99.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.08 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 16.2 mm-40 -46.49 -60.96 2.03 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -172.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.687 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.9 p . . . . . 0 C--N 1.348 0.521 0 CA-C-N 120.703 1.592 . . . . 0.0 111.456 -3.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 . . . . . 0 N--CA 1.448 -0.557 0 CA-C-O 120.58 0.229 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.473 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 97.0 m-85 -135.35 -179.95 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.712 0.768 . . . . 0.0 110.45 -177.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 25.1 pt20 -150.81 160.51 43.82 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.162 -0.926 . . . . 0.0 108.526 176.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.602 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 61.2 t -90.17 125.19 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.081 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.9 m -125.24 157.76 33.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.491 HG13 ' HD3' ' A' ' 36' ' ' ARG . 3.9 p -136.93 136.56 47.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.442 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -98.58 -168.06 1.59 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.674 -173.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -65.79 -29.32 69.8 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.385 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -81.82 9.19 8.46 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.445 0.64 . . . . 0.0 111.031 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 59.75 27.04 16.26 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.372 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.415 ' HB3' HE21 ' A' ' 21' ' ' GLN . 8.3 tt0 -84.74 132.12 34.48 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.908 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -86.29 123.08 31.15 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.5 m -142.4 177.0 8.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.082 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.1 pt -116.57 144.91 23.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.519 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 75.0 t-105 -138.14 132.87 17.09 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.754 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 9.0 Cg_endo -51.83 138.35 51.09 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.305 2.004 . . . . 0.0 112.982 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.42 -37.83 80.67 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.905 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -71.17 -19.14 62.45 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.398 -176.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.754 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 97.1 mttt -89.82 153.29 20.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.25 0.548 . . . . 0.0 110.18 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -78.01 135.94 37.86 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.581 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -66.1 126.69 92.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.528 ' HB2' ' CD1' ' A' ' 35' ' ' TRP . 65.0 Cg_exo -54.32 153.14 23.21 Favored 'Trans proline' 0 C--O 1.242 0.692 0 C-N-CA 122.603 2.202 . . . . 0.0 111.938 177.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -76.87 123.24 25.96 Favored 'General case' 0 N--CA 1.435 -1.198 0 O-C-N 121.752 -0.593 . . . . 0.0 109.827 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.59 -17.58 15.9 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -173.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.528 ' CD1' ' HB2' ' A' ' 32' ' ' PRO . 30.5 m95 -108.23 155.48 20.42 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.491 ' HD3' HG13 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -144.9 156.5 44.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 172.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.83 138.38 36.22 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 123.903 0.752 . . . . 0.0 111.068 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.602 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -133.59 143.79 48.89 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 122.818 0.447 . . . . 0.0 110.077 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.5 -97.82 2.05 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.015 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -167.84 175.09 7.06 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.171 0.51 . . . . 0.0 111.177 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.6 t -113.37 157.04 22.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.882 -176.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.17 -148.71 15.04 Favored Glycine 0 C--O 1.224 -0.498 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.73 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 43' ' ' LEU . 3.7 mm? -75.28 161.92 28.89 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 122.406 -0.467 . . . . 0.0 111.024 176.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.523 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 1.7 ttmp? -54.87 -48.59 72.75 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.451 0.469 . . . . 0.0 111.719 -174.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -59.23 -29.27 67.39 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 123.519 0.512 . . . . 0.0 111.704 -176.531 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.5 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 23.5 t70 -73.74 -36.97 65.22 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-O 121.553 0.692 . . . . 0.0 110.478 179.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.8 m -70.39 -50.38 39.28 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.326 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 63.4 mt -55.99 -45.83 78.9 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 122.015 0.912 . . . . 0.0 110.85 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.63 -42.0 67.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.227 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -55.49 -47.89 75.44 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 123.901 0.75 . . . . 0.0 112.138 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.598 ' HA ' HG23 ' A' ' 54' ' ' VAL . 3.4 mp -68.94 -34.99 67.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 120.561 0.219 . . . . 0.0 111.097 -175.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.7 -43.47 97.76 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.207 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 30.0 mm-40 -44.95 -62.62 1.16 Allowed 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 118.052 -0.975 . . . . 0.0 113.6 -174.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.598 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.0 p . . . . . 0 CA--C 1.537 0.463 0 CA-C-N 121.718 2.054 . . . . 0.0 111.126 -2.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 . . . . . 0 CA--C 1.537 0.452 0 CA-C-O 121.169 0.509 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -123.85 167.17 14.43 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.431 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -144.28 161.91 37.73 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.471 ' HB ' ' HB3' ' A' ' 38' ' ' ALA . 23.3 t -98.91 127.34 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.207 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 m -115.89 148.44 18.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.419 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 p -141.56 148.09 21.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.327 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.518 ' C ' ' H ' ' A' ' 19' ' ' GLU . 55.8 t30 -104.58 162.88 12.89 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -69.68 24.06 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' A' ' 17' ' ' ASN . 7.8 tp10 -112.2 -2.22 14.99 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 173.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 31.7 tt0 65.33 29.99 11.29 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.963 -177.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -96.65 111.56 23.66 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -86.44 139.7 30.66 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 121.172 0.51 . . . . 0.0 110.667 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t -141.35 168.5 19.62 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.418 HG22 ' SG ' ' A' ' 47' ' ' CYS . 36.8 pt -108.51 143.55 18.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.436 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 35.2 t-105 -150.21 141.17 14.6 Favored Pre-proline 0 C--N 1.32 -0.678 0 O-C-N 123.568 0.542 . . . . 0.0 109.705 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 31.9 Cg_exo -59.79 143.73 99.57 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.774 2.316 . . . . 0.0 111.077 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -70.74 -43.31 69.11 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.417 0.627 . . . . 0.0 110.934 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -75.01 -12.3 60.3 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 121.742 0.782 . . . . 0.0 110.894 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -92.92 136.65 33.06 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.306 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -72.5 139.47 47.64 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 121.335 -0.853 . . . . 0.0 110.367 -176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.92 141.03 97.41 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.988 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HB2' ' CD1' ' A' ' 35' ' ' TRP . 31.3 Cg_exo -57.89 141.57 96.01 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 121.922 1.748 . . . . 0.0 110.742 175.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -61.53 102.56 0.25 Allowed 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.953 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.14 -18.22 4.48 Favored Glycine 0 C--N 1.318 -0.458 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.964 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.439 ' CD1' ' HB2' ' A' ' 32' ' ' PRO . 52.9 m95 -97.17 161.38 13.84 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -131.62 151.24 51.77 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.62 128.32 35.19 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.663 0.602 . . . . 0.0 110.875 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . . . -76.42 -20.43 57.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.44 -178.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.26 -77.53 0.39 Allowed Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.961 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -59.78 112.62 1.9 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.568 0.699 . . . . 0.0 111.37 -175.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -124.28 132.0 53.55 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.629 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.97 -139.88 2.99 Favored Glycine 0 C--O 1.213 -1.169 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -177.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.656 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 4.2 mm? -79.51 177.18 9.06 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.388 177.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.62 ' HE2' HD21 ' A' ' 48' ' ' LEU . 23.5 tptm -57.86 -47.22 83.36 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.69 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.656 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.55 -30.77 69.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.805 -178.198 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.473 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 34.0 m-20 -69.52 -41.28 76.21 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.684 0.615 . . . . 0.0 110.027 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.592 ' O ' HG12 ' A' ' 51' ' ' ILE . 50.0 t -67.18 -45.58 76.53 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 123.882 0.739 . . . . 0.0 109.814 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.62 HD21 ' HE2' ' A' ' 44' ' ' LYS . 78.2 mt -56.91 -45.59 82.55 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.145 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -57.68 -47.21 82.97 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.948 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -58.32 -43.88 88.39 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.559 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.594 ' HA ' HG23 ' A' ' 54' ' ' VAL . 14.8 mm -69.88 -34.74 61.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.644 0.735 . . . . 0.0 111.138 -174.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.79 -40.33 92.2 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.452 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.507 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 8.5 mm-40 -46.98 -61.29 1.94 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -175.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.594 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.5 p . . . . . 0 C--N 1.345 0.392 0 C-N-CA 125.793 1.637 . . . . 0.0 110.855 -2.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 . . . . . 0 N--CA 1.448 -0.561 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -125.66 177.01 6.49 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.774 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 20.5 pt20 -139.65 142.79 36.98 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 174.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.5 HG11 ' CE2' ' A' ' 50' ' ' TYR . 58.1 t -86.55 123.74 39.92 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.83 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 -179.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 m -116.34 154.08 17.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-O 121.515 0.674 . . . . 0.0 109.313 -178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 12.5 p -122.59 137.22 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-O 121.306 0.574 . . . . 0.0 110.584 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -77.97 156.54 30.14 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -64.53 -8.38 13.69 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.447 0.641 . . . . 0.0 111.161 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -106.66 17.28 23.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.872 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 67.78 57.29 0.53 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.074 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.529 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 7.3 tp-100 -120.46 127.22 52.02 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -102.62 137.4 40.89 Favored 'General case' 0 C--N 1.311 -1.09 0 O-C-N 122.115 -0.366 . . . . 0.0 110.213 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.3 t -154.24 -177.14 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.574 HD13 ' SG ' ' A' ' 47' ' ' CYS . 28.7 pt -126.31 143.19 40.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-O 121.276 0.56 . . . . 0.0 111.058 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.447 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 52.9 t-105 -134.23 138.51 30.54 Favored Pre-proline 0 N--CA 1.441 -0.897 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 25' ' ' TRP . 1.5 Cg_endo -44.46 124.63 5.41 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.876 2.384 . . . . 0.0 111.375 176.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.31 -39.78 88.2 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 124.113 0.883 . . . . 0.0 111.113 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.64 0.68 45.86 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 123.487 0.492 . . . . 0.0 111.227 -178.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -102.22 147.03 27.14 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.62 134.87 42.02 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 59.6 mt -70.91 132.26 86.87 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.25 177.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 20.5 Cg_exo -67.71 155.46 69.93 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.537 2.158 . . . . 0.0 111.583 175.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -65.79 141.83 58.17 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.284 0.564 . . . . 0.0 110.467 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.63 -26.73 12.35 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -112.19 160.47 17.56 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -141.98 157.7 44.63 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.963 0.411 . . . . 0.0 110.139 175.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.58 136.47 38.27 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.569 -175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.01 -139.65 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.201 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.71 36.09 2.35 Favored Glycine 0 C--N 1.311 -0.825 0 C-N-CA 120.292 -0.956 . . . . 0.0 113.413 -176.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.532 ' HE3' ' HB3' ' A' ' 46' ' ' ASP . 0.8 OUTLIER -156.97 113.18 2.97 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 121.133 0.492 . . . . 0.0 109.786 178.76 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 t -111.45 147.32 35.52 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.682 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.22 174.42 36.34 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.233 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.521 HD23 ' OD2' ' A' ' 46' ' ' ASP . 2.6 pt? -78.86 -178.96 6.3 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.515 -177.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.71 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 17.7 ptpt -52.65 -36.12 56.18 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -174.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -56.05 -49.12 74.63 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.249 0.547 . . . . 0.0 110.317 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.532 ' HB3' ' HE3' ' A' ' 40' ' ' LYS . 55.2 m-20 -61.26 -33.17 73.09 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.182 177.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.574 ' SG ' HD13 ' A' ' 24' ' ' ILE . 1.1 t -71.05 -53.64 14.0 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 122.962 0.505 . . . . 0.0 109.982 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 33.1 mt -51.32 -51.38 54.88 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 124.295 0.997 . . . . 0.0 110.617 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.2 -51.49 67.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.69 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.505 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 61.7 t80 -53.81 -53.08 57.43 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.284 0.99 . . . . 0.0 112.67 -176.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.616 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -60.26 -35.9 65.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.55 -41.64 92.78 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.552 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 5.4 mm-40 -47.04 -59.48 3.1 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -175.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.616 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.1 p . . . . . 0 N--CA 1.473 0.716 0 CA-C-N 120.81 1.641 . . . . 0.0 110.428 -3.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.536 ' HG2' HD13 ' A' ' 43' ' ' LEU . 44.3 mt-30 . . . . . 0 CA--C 1.519 -0.217 0 CA-C-O 121.762 0.791 . . . . 0.0 111.71 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -128.8 177.46 7.06 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.186 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.483 HE21 ' HA ' ' A' ' 27' ' ' GLU . 9.2 pt20 -139.43 164.16 30.59 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 175.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 61.9 t -105.26 126.47 60.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.532 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 27.4 m -115.7 143.82 24.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 p -123.1 140.28 47.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.193 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -93.75 168.15 11.19 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -69.38 -0.34 6.22 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 121.859 -0.525 . . . . 0.0 110.494 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.31 7.04 42.85 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.187 0.518 . . . . 0.0 110.352 173.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 59.72 35.26 22.21 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 123.303 0.641 . . . . 0.0 111.355 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -116.89 143.64 45.46 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.781 173.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -103.61 154.3 19.66 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.223 -173.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.1 t -154.37 174.15 15.24 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.7 pt -108.98 147.86 13.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.43 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 66.6 t-105 -144.87 131.56 9.98 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.489 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 35.9 Cg_exo -59.94 132.81 46.88 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.398 2.065 . . . . 0.0 111.546 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.483 ' HA ' HE21 ' A' ' 13' ' ' GLN . 0.0 OUTLIER -70.48 -10.5 59.34 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.144 0.497 . . . . 0.0 111.588 -173.785 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.529 ' HH ' ' N ' ' A' ' 11' ' ' GLN . 48.2 m-85 -77.6 -27.3 51.24 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.813 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.8 148.48 23.35 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.648 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.49 149.25 46.0 Favored 'General case' 0 N--CA 1.436 -1.155 0 O-C-N 121.422 -0.799 . . . . 0.0 108.969 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.417 HD11 ' HB2' ' A' ' 37' ' ' ALA . 21.9 mt -66.28 132.98 94.46 Favored Pre-proline 0 C--N 1.33 -0.263 0 O-C-N 123.59 0.556 . . . . 0.0 109.64 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.521 ' HG2' ' HD1' ' A' ' 35' ' ' TRP . 60.2 Cg_endo -72.41 31.28 0.28 Allowed 'Trans proline' 0 N--CA 1.478 0.568 0 C-N-CA 122.884 2.389 . . . . 0.0 114.479 -173.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' O ' ' A' ' 32' ' ' PRO . 56.0 tt0 76.42 -53.12 0.6 Allowed 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 170.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.38 -33.42 87.2 Favored Glycine 0 C--O 1.221 -0.701 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.395 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.532 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 63.8 m95 -96.2 163.98 12.86 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.599 ' HA ' ' HE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -129.95 147.52 51.72 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.646 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.417 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -70.25 130.43 42.01 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.274 0.559 . . . . 0.0 109.875 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -142.52 156.68 45.16 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.697 0.76 . . . . 0.0 110.769 -178.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.49 -102.27 1.37 Allowed Glycine 0 N--CA 1.434 -1.452 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.7 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -158.96 153.1 23.67 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 121.168 0.508 . . . . 0.0 111.148 -173.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 m -105.33 152.0 23.46 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.48 174.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.32 -157.96 30.64 Favored Glycine 0 C--O 1.217 -0.921 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.614 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.536 HD13 ' HG2' ' A' ' 11' ' ' GLN . 3.6 mm? -77.66 172.45 13.38 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 120.268 0.08 . . . . 0.0 110.966 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 4.5 tppp? -51.54 -54.57 26.06 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.56 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -60.95 -32.53 72.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.906 -0.134 . . . . 0.0 110.89 -175.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.56 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 16.7 t70 -69.15 -41.24 77.56 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 122.011 0.91 . . . . 0.0 110.572 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.586 ' O ' HG12 ' A' ' 51' ' ' ILE . 42.0 t -68.05 -49.59 60.45 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.891 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 43.2 mt -56.87 -40.7 76.64 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.987 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.33 -44.95 88.92 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.981 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 88.2 t80 -65.02 -39.51 93.51 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 121.798 -0.564 . . . . 0.0 111.339 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.602 ' HA ' HG23 ' A' ' 54' ' ' VAL . 18.6 mm -67.59 -34.89 70.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -175.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.21 -39.09 78.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.532 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.561 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 10.4 mm-40 -49.03 -62.38 1.56 Allowed 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -175.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.602 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.5 p . . . . . 0 C--N 1.351 0.632 0 CA-C-N 121.948 2.158 . . . . 0.0 108.689 -3.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.93 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 77.0 mt-30 . . . . . 0 CA--C 1.514 -0.41 0 CA-C-O 120.504 0.192 . . . . 0.0 110.796 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.567 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 85.5 m-85 -133.26 -179.4 5.48 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.86 0.838 . . . . 0.0 110.453 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 20.7 pt20 -140.98 146.96 37.99 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.038 -1.437 . . . . 0.0 107.242 170.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.544 HG11 ' CE1' ' A' ' 50' ' ' TYR . 39.9 t -89.14 122.62 40.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.8 m -114.94 149.0 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-O 120.721 0.296 . . . . 0.0 111.161 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.82 138.48 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.663 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 48.0 t30 -97.28 175.47 6.26 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -71.29 -2.52 16.51 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.542 0.526 . . . . 0.0 112.153 -171.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.613 ' HB3' HE22 ' A' ' 21' ' ' GLN . 40.4 tt0 -103.6 14.4 31.25 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 122.036 0.922 . . . . 0.0 108.998 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 13.7 pt-20 57.86 32.01 21.33 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.421 1.488 . . . . 0.0 112.338 174.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.663 ' OE1' ' HB3' ' A' ' 17' ' ' ASN . 1.5 pm0 -95.38 142.51 27.68 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 173.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.93 146.8 33.21 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.103 0.478 . . . . 0.0 111.127 -175.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 m -151.67 177.56 10.24 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.736 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.7 pt -116.97 140.62 38.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.214 0.531 . . . . 0.0 110.139 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.417 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 70.7 t-105 -135.36 134.19 21.06 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 51.9 Cg_exo -57.68 114.49 1.98 Allowed 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 122.397 2.065 . . . . 0.0 112.276 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -52.69 -27.57 18.01 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.311 1.007 . . . . 0.0 112.419 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -55.66 -42.71 75.47 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.673 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -98.97 162.68 12.95 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.151 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -87.55 137.45 32.32 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 36' ' ' ARG . 21.5 pt -61.47 155.35 59.29 Favored Pre-proline 0 C--N 1.314 -0.942 0 O-C-N 124.673 1.233 . . . . 0.0 113.047 -175.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 17.3 Cg_exo -65.85 150.79 85.56 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.42 2.08 . . . . 0.0 112.103 177.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -42.65 -46.78 5.13 Favored 'General case' 0 C--N 1.334 -0.075 0 C-N-CA 124.25 1.02 . . . . 0.0 113.156 -176.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.36 -5.11 87.46 Favored Glycine 0 C--O 1.23 -0.141 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.614 -173.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.408 ' HD1' ' HB2' ' A' ' 32' ' ' PRO . 87.7 m95 -106.44 157.19 17.82 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.077 -0.661 . . . . 0.0 111.095 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.412 ' HA ' HD12 ' A' ' 31' ' ' ILE . 34.1 ttm180 -145.39 156.67 43.91 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.67 126.75 31.01 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.146 0.498 . . . . 0.0 110.873 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.88 72.47 Favored 'General case' 0 CA--C 1.518 -0.282 0 O-C-N 121.825 -0.547 . . . . 0.0 110.318 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.7 -69.33 0.36 Allowed Glycine 0 CA--C 1.506 -0.48 0 C-N-CA 120.13 -1.033 . . . . 0.0 111.944 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.687 ' HD2' ' CD2' ' A' ' 50' ' ' TYR . 97.5 mttt -70.43 121.75 18.34 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.661 0.743 . . . . 0.0 110.583 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.6 t -113.31 143.29 44.69 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.448 175.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.44 177.15 43.37 Favored Glycine 0 C--O 1.215 -1.032 0 C-N-CA 120.276 -0.964 . . . . 0.0 111.394 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.93 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 2.5 pt? -66.42 177.14 1.59 Allowed 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.041 0.448 . . . . 0.0 111.163 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.58 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 21.9 ttmt -47.82 -54.47 12.33 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.275 0.63 . . . . 0.0 112.009 -176.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.54 -40.7 68.92 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 122.454 0.302 . . . . 0.0 111.172 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' HB2' HD23 ' A' ' 43' ' ' LEU . 14.5 t70 -65.64 -38.82 90.46 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.192 0.52 . . . . 0.0 110.198 -178.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 74.0 m -71.22 -40.42 71.11 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.169 178.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 62.5 mt -60.39 -42.55 96.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.194 0.521 . . . . 0.0 110.381 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.67 -42.26 92.48 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.991 174.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.687 ' CD2' ' HD2' ' A' ' 40' ' ' LYS . 51.5 t80 -55.84 -48.5 75.37 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 123.566 0.746 . . . . 0.0 111.686 177.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.74 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 18.3 mm -63.63 -31.29 52.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.657 0.741 . . . . 0.0 110.477 -176.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -61.6 -40.15 93.78 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.802 177.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.512 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 45.0 mm-40 -47.35 -62.18 1.55 Allowed 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -175.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.74 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.8 p . . . . . 0 C--N 1.349 0.556 0 O-C-N 119.637 -1.915 . . . . 0.0 110.329 -4.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.528 ' N ' ' HH ' ' A' ' 28' ' ' TYR . 49.4 mt-30 . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -119.28 160.19 22.69 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 122.2 1.0 . . . . 0.0 112.449 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 27.3 pt20 -136.49 146.86 46.75 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.54 HG21 ' HB3' ' A' ' 50' ' ' TYR . 41.5 t -84.53 125.87 40.27 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.7 m -115.17 138.93 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.6 p -119.36 138.11 51.1 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -83.09 170.46 14.78 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.028 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -74.6 2.12 10.53 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 121.279 -0.888 . . . . 0.0 109.445 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -100.41 5.29 44.27 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.124 -0.943 . . . . 0.0 108.474 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 59.17 39.2 23.2 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.551 -173.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -95.58 131.14 42.11 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -95.56 135.79 36.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.855 0.836 . . . . 0.0 111.24 -175.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 t -139.84 166.71 23.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.909 174.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.607 HG22 ' SG ' ' A' ' 47' ' ' CYS . 30.9 pt -115.33 128.57 72.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.455 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 57.0 t-105 -134.54 136.12 25.0 Favored Pre-proline 0 C--N 1.31 -1.11 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.998 -175.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.611 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 50.4 Cg_exo -55.06 139.2 79.97 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 121.639 1.56 . . . . 0.0 112.634 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -68.23 -33.98 75.39 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.624 -173.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.528 ' HH ' ' N ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -81.72 -6.11 58.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.373 -178.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.611 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 67.0 mttm -97.95 145.58 26.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 176.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -72.5 134.1 45.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.228 0.955 . . . . 0.0 109.458 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.3 mt -65.4 132.08 95.07 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.006 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.85 151.48 56.36 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.342 2.028 . . . . 0.0 112.044 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -70.12 117.82 12.17 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.736 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.81 -20.5 7.24 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -105.23 156.52 18.04 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.334 -0.433 . . . . 0.0 110.166 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' HA ' ' HD2' ' A' ' 36' ' ' ARG . 10.5 tpt180 -132.31 152.92 51.17 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.25 125.78 28.18 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.96 80.56 1.47 Allowed 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.36 -103.54 2.96 Favored Glycine 0 N--CA 1.439 -1.156 0 C-N-CA 120.541 -0.838 . . . . 0.0 114.496 166.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HG3' ' HD1' ' A' ' 50' ' ' TYR . 29.2 mtpp -77.24 122.66 25.37 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.284 0.564 . . . . 0.0 112.171 -170.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 p -130.71 128.07 40.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.492 175.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 170.32 -117.63 0.71 Allowed Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.258 -0.972 . . . . 0.0 112.141 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.483 HD13 ' HG2' ' A' ' 11' ' ' GLN . 2.1 mm? -81.06 168.66 18.4 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -57.2 -39.91 76.34 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.516 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.523 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -63.19 -30.78 71.86 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.661 -179.146 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.523 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 41.9 m-20 -66.38 -41.73 88.99 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 121.86 0.838 . . . . 0.0 110.785 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.607 ' SG ' HG22 ' A' ' 24' ' ' ILE . 42.5 t -70.41 -46.62 63.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.862 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.4 mp -56.48 -52.32 65.15 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.411 0.624 . . . . 0.0 111.981 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -52.32 -41.05 62.65 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.836 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.54 ' HB3' HG21 ' A' ' 14' ' ' VAL . 36.2 t80 -61.63 -37.41 83.86 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.682 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.744 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -71.53 -34.29 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 O-C-N 121.925 -0.484 . . . . 0.0 109.997 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.73 -42.84 99.49 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.222 0.534 . . . . 0.0 111.915 175.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 65.8 mm-40 -45.87 -61.06 1.89 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -174.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.744 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.8 p . . . . . 0 C--O 1.23 0.061 0 CA-C-N 121.715 2.052 . . . . 0.0 111.249 -4.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 . . . . . 0 CA--C 1.516 -0.349 0 CA-C-O 121.529 0.681 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -120.77 179.05 4.47 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.181 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.491 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 10.3 pt20 -143.44 157.08 44.74 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 170.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.0 t -95.81 127.98 47.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.414 HG11 HG23 ' A' ' 31' ' ' ILE . 21.0 m -115.9 153.52 17.48 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 O-C-N 123.458 0.474 . . . . 0.0 109.956 176.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 p -122.86 138.16 53.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 CA-C-O 120.932 0.396 . . . . 0.0 111.168 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -92.41 172.43 8.4 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.125 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -60.44 -10.28 4.71 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.671 0.788 . . . . 0.0 112.359 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -111.13 17.9 19.9 Favored 'General case' 0 N--CA 1.442 -0.828 0 O-C-N 123.489 0.493 . . . . 0.0 111.311 -174.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 61.99 37.45 14.94 Favored 'General case' 0 C--N 1.344 0.334 0 O-C-N 124.266 0.979 . . . . 0.0 110.072 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -112.86 129.63 56.39 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.75 176.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -96.31 156.32 16.39 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.022 0.826 . . . . 0.0 111.357 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -156.94 178.59 10.18 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 124.463 1.102 . . . . 0.0 109.013 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.521 ' CG2' ' HB3' ' A' ' 47' ' ' CYS . 29.7 pt -119.77 143.31 31.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.513 0.673 . . . . 0.0 110.475 -175.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -144.05 134.71 12.22 Favored Pre-proline 0 C--N 1.309 -1.172 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.276 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.515 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 51.8 Cg_exo -54.59 132.61 52.34 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.26 1.974 . . . . 0.0 112.334 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.7 -30.08 71.09 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.483 -173.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -85.64 15.51 4.61 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -175.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.515 ' HE2' ' HG2' ' A' ' 26' ' ' PRO . 50.5 mtmt -130.04 154.88 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.083 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.39 131.54 45.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.154 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.414 HG23 HG11 ' A' ' 15' ' ' VAL . 70.1 mt -64.11 139.32 97.65 Favored Pre-proline 0 C--O 1.236 0.386 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.091 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -53.34 135.92 61.61 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.248 1.965 . . . . 0.0 112.056 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -47.28 -35.55 7.98 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.055 0.847 . . . . 0.0 112.659 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.53 -3.09 90.71 Favored Glycine 0 C--O 1.221 -0.71 0 C-N-CA 120.864 -0.684 . . . . 0.0 114.414 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 47.9 m95 -126.09 168.88 13.39 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -148.01 163.93 35.35 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.274 -0.267 . . . . 0.0 110.31 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.85 125.0 25.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 123.594 0.558 . . . . 0.0 110.761 -175.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.12 -20.82 55.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.658 0.599 . . . . 0.0 111.289 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.75 -33.14 5.06 Favored Glycine 0 C--N 1.346 1.134 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.232 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 tpmt? -87.35 123.28 32.15 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.002 0.43 . . . . 0.0 111.404 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 13' ' ' GLN . 53.1 m -124.32 153.53 41.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.267 174.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.87 -175.25 41.51 Favored Glycine 0 CA--C 1.506 -0.52 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.3 mt -66.99 176.15 2.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 117.32 0.56 . . . . 0.0 110.319 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -55.86 -42.23 75.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.25 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.529 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -60.58 -45.39 94.13 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.777 -177.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.14 -38.06 84.88 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.387 0.613 . . . . 0.0 110.138 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.521 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 16.7 m -75.54 -48.11 23.93 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.957 -176.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.77 -46.92 87.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.394 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -58.03 -37.65 74.74 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.246 176.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 47.3 t80 -57.05 -45.17 83.4 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 123.731 0.644 . . . . 0.0 111.361 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.68 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.8 mp -69.95 -33.53 55.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -177.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.57 -42.23 99.42 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.093 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 18.2 mm-40 -45.05 -62.26 1.31 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -175.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.68 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.1 p . . . . . 0 N--CA 1.476 0.868 0 CA-C-N 121.455 1.934 . . . . 0.0 110.504 -2.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.524 ' HB2' ' HB3' ' A' ' 27' ' ' GLU . 56.3 mt-30 . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.558 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . 28.3 m-85 -120.77 151.8 39.12 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.975 0.893 . . . . 0.0 111.384 178.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 25.2 pt20 -136.59 151.54 49.47 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.631 -1.168 . . . . 0.0 109.205 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 22.6 t -92.87 124.73 45.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 118.347 0.521 . . . . 0.0 109.627 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.05 146.91 19.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 17' ' ' ASN . 8.8 p -132.23 144.64 36.44 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 CA-C-O 121.27 0.557 . . . . 0.0 110.511 -176.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.432 ' O ' HG22 ' A' ' 16' ' ' VAL . 61.5 t30 -92.76 159.56 15.35 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 172.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -72.51 14.74 0.23 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.715 0.769 . . . . 0.0 111.477 -175.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 17' ' ' ASN . 7.8 pt-20 -106.42 8.66 31.69 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 67.17 38.93 3.24 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.415 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -99.99 117.37 34.14 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.215 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -90.77 135.85 33.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.299 0.571 . . . . 0.0 110.726 -176.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 t -143.37 172.89 12.15 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.416 HG22 ' SG ' ' A' ' 47' ' ' CYS . 29.8 pt -115.08 145.23 21.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.537 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 43.6 t-105 -141.42 141.61 23.66 Favored Pre-proline 0 C--N 1.313 -0.997 0 C-N-CA 122.94 0.496 . . . . 0.0 110.432 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.681 ' HB2' ' HG2' ' A' ' 29' ' ' LYS . 26.0 Cg_exo -62.19 139.33 77.43 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.382 2.721 . . . . 0.0 111.916 175.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 7.6 tp10 -69.31 -41.57 76.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -176.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -68.36 -23.23 64.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -171.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.681 ' HG2' ' HB2' ' A' ' 26' ' ' PRO . 18.0 ptpt -98.15 156.15 16.81 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.92 146.5 46.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.613 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.1 mt -87.46 142.49 33.14 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -53.9 128.54 30.08 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.174 1.916 . . . . 0.0 110.919 169.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -71.51 -7.36 47.06 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -171.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.15 -23.49 71.26 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 173.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -102.18 166.4 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -129.68 148.4 51.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.78 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.99 139.9 38.11 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -139.73 147.9 41.54 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.184 0.516 . . . . 0.0 112.051 -176.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.483 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . 58.02 -107.27 1.02 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.444 -0.798 . . . . 0.0 114.717 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.934 ' HD2' ' HB2' ' A' ' 50' ' ' TYR . 56.3 mttm -96.7 128.85 44.05 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.479 1.133 . . . . 0.0 112.275 -170.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.0 t -126.48 110.18 13.0 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.054 168.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.38 -124.84 0.93 Allowed Glycine 0 CA--C 1.51 -0.279 0 C-N-CA 120.321 -0.943 . . . . 0.0 113.146 -176.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.23 165.87 15.3 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 124.234 0.608 . . . . 0.0 111.619 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.558 ' HA ' ' HB2' ' A' ' 12' ' ' PHE . 50.8 tttp -65.67 -53.83 35.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.209 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.511 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -64.36 -29.39 70.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.392 178.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.511 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 38.8 t70 -69.92 -38.51 76.25 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 120.8 0.333 . . . . 0.0 110.358 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.416 ' SG ' HG22 ' A' ' 24' ' ' ILE . 27.9 t -66.67 -47.39 72.63 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 121.47 0.652 . . . . 0.0 109.773 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 72.7 mt -56.75 -44.3 81.6 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.159 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.54 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.75 -42.1 67.83 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.715 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.934 ' HB2' ' HD2' ' A' ' 40' ' ' LYS . 73.5 t80 -53.21 -49.47 66.7 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.61 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 4.0 mp -65.21 -34.83 73.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.066 0.46 . . . . 0.0 110.872 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.78 -42.61 99.77 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.817 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 8.7 mm-40 -43.3 -62.21 1.12 Allowed 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.61 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.4 p . . . . . 0 CA--C 1.538 0.502 0 CA-C-N 121.779 2.081 . . . . 0.0 109.929 -7.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.668 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 54.1 mt-30 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 121.883 0.849 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -123.36 174.97 7.0 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.121 -1.399 . . . . 0.0 111.453 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 27.1 pt20 -139.51 150.44 45.13 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 113.547 -1.66 . . . . 0.0 107.132 169.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 61.6 t -93.06 127.98 44.83 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 O-C-N 121.485 -0.76 . . . . 0.0 109.217 -178.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.499 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 20.1 m -113.81 137.44 46.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.865 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.521 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 5.9 p -128.54 132.78 67.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.433 HD21 ' HB2' ' A' ' 19' ' ' GLU . 37.9 p-10 -92.13 -163.43 1.04 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.822 0.344 . . . . 0.0 110.596 -175.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -82.74 -10.08 59.06 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.774 -0.579 . . . . 0.0 110.291 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.433 ' HB2' HD21 ' A' ' 17' ' ' ASN . 2.3 mp0 -98.01 13.9 29.28 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.753 178.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 13.5 pt-20 53.45 32.13 13.43 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 125.498 1.519 . . . . 0.0 111.526 178.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.521 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 21.3 mt-30 -90.63 145.52 24.78 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 173.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -122.84 153.2 39.9 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-O 121.224 0.535 . . . . 0.0 112.029 -175.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.1 t -164.52 177.58 8.03 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.861 -178.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.7 pt -119.05 132.81 67.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.721 0.772 . . . . 0.0 109.514 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.463 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 69.9 t-105 -125.74 141.4 39.12 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.236 -177.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HD2' ' CD2' ' A' ' 25' ' ' TRP . 10.2 Cg_endo -55.63 130.45 40.51 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.102 1.868 . . . . 0.0 111.567 175.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -27.35 62.47 Favored 'General case' 0 N--CA 1.441 -0.884 0 O-C-N 121.128 -0.983 . . . . 0.0 111.057 -172.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -73.04 -19.47 61.18 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.35 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -100.09 152.2 20.51 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.414 0.626 . . . . 0.0 111.097 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -75.64 140.65 42.7 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.79 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.468 HD11 ' HB2' ' A' ' 37' ' ' ALA . 66.8 mt -65.72 136.23 95.83 Favored Pre-proline 0 C--N 1.317 -0.81 0 O-C-N 123.476 0.485 . . . . 0.0 110.532 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.28 138.3 82.99 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.542 2.161 . . . . 0.0 111.315 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -63.41 122.3 15.91 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 121.153 0.501 . . . . 0.0 110.127 -174.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.24 -20.9 6.98 Favored Glycine 0 C--N 1.311 -0.859 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -176.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.499 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 83.0 m95 -105.67 159.46 15.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.498 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 73.1 mtm180 -129.15 147.8 51.03 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.028 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.468 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -76.32 134.95 39.58 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.754 0.311 . . . . 0.0 110.414 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -155.16 169.29 24.48 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.073 -177.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.1 -132.14 16.38 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.246 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -125.56 130.7 52.22 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 110.741 -0.096 . . . . 0.0 110.741 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.0 m -95.3 129.6 42.37 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.652 -0.869 . . . . 0.0 108.652 174.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.668 ' O ' ' HA ' ' A' ' 11' ' ' GLN . . . 166.97 -128.84 1.8 Allowed Glycine 0 C--O 1.24 0.524 0 C-N-CA 119.958 -1.115 . . . . 0.0 112.242 -177.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.4 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? -77.52 157.06 30.58 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.882 -0.775 . . . . 0.0 110.224 -175.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.574 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 74.6 tttt -51.7 -50.27 60.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.433 0.635 . . . . 0.0 111.008 177.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.567 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -63.03 -29.56 70.91 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.691 -177.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.567 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 37.9 t0 -72.5 -43.89 63.01 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 122.714 0.406 . . . . 0.0 110.565 -176.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.569 ' O ' HG12 ' A' ' 51' ' ' ILE . 79.0 m -66.24 -40.86 90.53 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.761 176.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 85.8 mt -58.46 -42.64 87.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.891 177.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.19 75.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.382 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -63.06 -33.3 75.14 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 124.067 0.854 . . . . 0.0 111.833 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.606 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 25.2 mm -69.37 -34.66 63.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.486 0.66 . . . . 0.0 110.202 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.07 -35.26 74.77 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.965 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.422 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 15.3 mm-40 -48.49 -62.57 1.43 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -173.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.606 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.2 p . . . . . 0 C--O 1.243 0.753 0 CA-C-N 121.201 1.818 . . . . 0.0 111.254 -1.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.628 ' N ' ' HH ' ' A' ' 28' ' ' TYR . 80.9 mt-30 . . . . . 0 N--CA 1.438 -1.048 0 CA-C-O 120.504 0.192 . . . . 0.0 110.502 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -129.66 179.65 5.71 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 122.671 1.224 . . . . 0.0 111.413 -171.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.592 ' NE2' HD11 ' A' ' 31' ' ' ILE . 16.3 pt20 -156.38 162.88 40.01 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 113.44 -1.709 . . . . 0.0 108.274 177.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.436 HG21 ' CD1' ' A' ' 50' ' ' TYR . 18.1 t -97.93 129.98 47.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.22 -175.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 15.5 m -120.89 148.25 24.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.263 0.554 . . . . 0.0 110.318 176.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 11.2 p -129.15 140.44 49.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.483 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -128.2 86.15 2.43 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 68.41 -46.94 0.54 Allowed 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 161.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.52 ' HB2' ' HG3' ' A' ' 21' ' ' GLN . 4.7 mp0 -93.03 6.73 46.91 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.918 -176.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 42.8 tt0 73.74 22.21 2.59 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -175.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.52 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 25.3 mt-30 -72.66 103.13 3.49 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.314 172.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 14.9 p90 -98.1 134.73 40.77 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 120.996 0.427 . . . . 0.0 110.759 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.6 t -143.99 179.36 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.415 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.52 HG22 ' SG ' ' A' ' 47' ' ' CYS . 41.7 pt -109.52 134.07 52.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-O 120.818 0.342 . . . . 0.0 110.834 -177.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.48 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 68.3 t-105 -129.94 138.55 33.35 Favored Pre-proline 0 C--N 1.315 -0.916 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.646 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 52.4 Cg_exo -53.84 134.0 57.05 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.458 2.105 . . . . 0.0 111.934 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.546 ' HA ' ' OE1' ' A' ' 13' ' ' GLN . 9.0 tm-20 -64.2 -31.44 72.64 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.551 -172.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.628 ' HH ' ' N ' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -81.76 -18.96 42.4 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.788 -175.541 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.646 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 98.3 mttt -92.76 155.17 17.85 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 121.862 0.839 . . . . 0.0 112.106 -170.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -75.57 124.32 27.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.537 -1.211 . . . . 0.0 109.749 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.592 HD11 ' NE2' ' A' ' 13' ' ' GLN . 65.5 mt -67.09 137.52 94.46 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.408 ' HB2' ' HD1' ' A' ' 35' ' ' TRP . 45.7 Cg_exo -55.62 143.54 78.76 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.163 1.909 . . . . 0.0 112.497 174.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -56.38 -23.08 35.47 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -174.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.41 -20.93 55.84 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.17 -1.014 . . . . 0.0 112.225 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.408 ' HD1' ' HB2' ' A' ' 32' ' ' PRO . 65.7 m95 -100.7 146.95 26.57 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.553 0.692 . . . . 0.0 111.154 -174.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -117.93 139.49 51.08 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.716 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.505 ' HB2' ' CD1' ' A' ' 31' ' ' ILE . . . -75.08 132.99 41.66 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 123.14 0.576 . . . . 0.0 110.513 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.421 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -147.72 159.4 43.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.169 0.509 . . . . 0.0 110.231 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.74 -131.84 11.41 Favored Glycine 0 C--O 1.246 0.844 0 C-N-CA 121.024 -0.608 . . . . 0.0 113.374 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -129.13 155.86 44.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.367 0.603 . . . . 0.0 110.665 -177.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 13' ' ' GLN . 6.6 p -114.01 155.6 25.6 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.437 174.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.19 -151.66 21.4 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.511 ' HA ' ' HG2' ' A' ' 11' ' ' GLN . 3.5 mm? -62.73 171.6 2.01 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.156 0.503 . . . . 0.0 111.749 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.52 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 85.4 tttt -64.39 -50.62 66.95 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.994 0.426 . . . . 0.0 110.932 -177.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -29.6 70.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.844 -178.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.434 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 4.2 m-20 -62.95 -42.09 99.71 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.473 177.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.597 ' O ' HG12 ' A' ' 51' ' ' ILE . 18.8 t -75.33 -39.69 59.13 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -178.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 76.5 mt -60.48 -49.59 76.97 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 121.398 0.618 . . . . 0.0 111.165 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.05 -47.36 68.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.771 176.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.436 ' CD1' HG21 ' A' ' 14' ' ' VAL . 51.6 t80 -54.85 -41.73 71.13 Favored 'General case' 0 C--N 1.311 -1.105 0 O-C-N 124.29 0.994 . . . . 0.0 111.92 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.664 ' HA ' HG23 ' A' ' 54' ' ' VAL . 21.4 mm -70.66 -34.98 59.03 Favored 'Isoleucine or valine' 0 C--O 1.248 1.0 0 CA-C-O 121.14 0.495 . . . . 0.0 110.894 -174.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.37 -40.09 95.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.411 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.602 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 20.3 mm-40 -46.03 -61.9 1.56 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -175.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.664 HG23 ' HA ' ' A' ' 51' ' ' ILE . 3.8 p . . . . . 0 C--N 1.354 0.784 0 CA-C-N 121.72 2.055 . . . . 0.0 109.027 -5.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.842 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 27.4 mp0 . . . . . 0 C--O 1.239 0.508 0 CA-C-O 121.582 0.706 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -125.91 178.33 5.8 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.97 0.891 . . . . 0.0 111.108 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -139.82 146.65 39.66 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.361 -1.29 . . . . 0.0 107.662 169.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.569 HG11 ' CD1' ' A' ' 50' ' ' TYR . 24.7 t -90.1 126.45 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 C-N-CA 119.322 -0.951 . . . . 0.0 108.787 -178.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.462 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 16.9 m -114.81 149.34 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-O 121.184 0.516 . . . . 0.0 110.62 178.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p -117.26 133.25 64.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.67 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.407 ' HB2' ' CZ3' ' A' ' 35' ' ' TRP . 23.8 t-20 -78.11 165.41 24.01 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -70.68 -1.41 11.23 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.455 0.645 . . . . 0.0 110.685 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.98 13.73 32.97 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.391 175.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 59.88 28.25 17.72 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.711 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.443 HE21 ' HB3' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -104.42 126.71 51.75 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -178.777 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -93.79 149.79 20.94 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.622 0.248 . . . . 0.0 111.474 -170.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -152.71 176.24 11.98 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.6 pt -113.72 140.14 35.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -135.86 127.3 17.22 Favored Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.55 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 44.5 Cg_exo -55.84 128.15 29.09 Favored 'Trans proline' 0 CA--C 1.512 -0.614 0 C-N-CA 122.435 2.09 . . . . 0.0 110.835 178.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.18 -36.59 80.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.742 0.306 . . . . 0.0 111.516 -168.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -66.43 -15.52 63.39 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HE2' ' HG2' ' A' ' 26' ' ' PRO . 47.3 mtmt -96.49 149.3 21.9 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.203 0.525 . . . . 0.0 111.108 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -74.33 136.63 42.55 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.119 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.443 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 34.8 pt -80.07 146.83 64.07 Favored Pre-proline 0 C--O 1.243 0.719 0 O-C-N 122.002 -0.436 . . . . 0.0 110.215 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 7.3 Cg_exo -73.42 154.41 50.66 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 123.006 2.471 . . . . 0.0 111.376 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.438 ' OE1' ' HA ' ' A' ' 33' ' ' GLN . 7.0 tp60 -64.71 117.96 8.22 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.788 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.04 -18.6 5.87 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.024 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.462 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 76.3 m95 -103.53 145.57 29.83 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' HA ' ' HD3' ' A' ' 36' ' ' ARG . 10.6 mmt180 -125.07 143.23 51.02 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.56 129.38 39.53 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 121.398 0.618 . . . . 0.0 111.385 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . . . -80.08 -153.72 0.09 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.464 178.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.21 13.53 57.16 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.172 -1.013 . . . . 0.0 114.036 -170.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.513 ' HD2' ' HD2' ' A' ' 50' ' ' TYR . 57.6 mttm -148.8 123.87 10.08 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 177.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.5 m -119.31 136.85 54.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.284 170.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.96 -165.27 37.54 Favored Glycine 0 C--N 1.317 -0.519 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.842 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 1.7 pt? -77.53 178.92 6.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 118.085 0.942 . . . . 0.0 110.213 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' A' ' 44' ' ' LYS . 26.3 ttmt -46.13 -38.87 8.7 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.583 0.753 . . . . 0.0 112.702 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.579 ' H ' ' HG ' ' A' ' 43' ' ' LEU . 58.7 tptt -61.39 -50.05 74.41 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.21 -177.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -72.73 -34.26 66.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.857 0.837 . . . . 0.0 111.042 -176.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 37.5 t -70.06 -46.64 64.54 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.659 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 tp -58.14 -46.36 85.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.966 176.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.66 -40.9 66.28 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.04 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.569 ' CD1' HG11 ' A' ' 14' ' ' VAL . 46.6 t80 -56.58 -39.85 74.23 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -177.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.668 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.8 mp -65.1 -35.54 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-O 121.412 0.625 . . . . 0.0 110.671 -178.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.11 -45.44 87.27 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.746 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.562 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 5.6 mm-40 -47.4 -60.96 2.15 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.749 1.281 . . . . 0.0 114.148 -171.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.668 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.7 p . . . . . 0 C--N 1.346 0.435 0 CA-C-N 121.758 2.072 . . . . 0.0 109.566 -3.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.466 0.336 0 CA-C-O 120.968 0.414 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.449 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 96.5 m-85 -124.95 177.38 6.08 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.795 0.807 . . . . 0.0 111.298 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.521 ' NE2' ' HA ' ' A' ' 27' ' ' GLU . 27.4 pt20 -147.48 157.28 43.51 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 173.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.576 ' HB ' ' HA3' ' A' ' 39' ' ' GLY . 58.6 t -97.59 125.94 50.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.742 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.43 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 28.0 m -117.02 156.07 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p -122.54 135.84 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-O 121.303 0.573 . . . . 0.0 110.77 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 35' ' ' TRP . 20.2 t-20 -85.19 173.27 10.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.587 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -68.4 -10.03 52.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.038 0.447 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -90.15 3.88 52.1 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 61.17 36.98 17.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.339 -1.301 . . . . 0.0 110.73 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -107.1 138.15 43.81 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 121.427 0.632 . . . . 0.0 109.371 176.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -92.48 139.72 30.3 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 122.167 0.984 . . . . 0.0 111.882 -174.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -139.32 171.54 14.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.113 -1.403 . . . . 0.0 107.996 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.0 pt -117.82 143.99 26.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.158 0.504 . . . . 0.0 110.963 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.428 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 63.3 t-105 -142.89 139.85 17.46 Favored Pre-proline 0 C--N 1.3 -1.576 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.237 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.88 125.87 20.52 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.343 2.029 . . . . 0.0 110.36 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.521 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 6.3 pt-20 -68.24 -27.03 66.0 Favored 'General case' 0 C--O 1.243 0.735 0 O-C-N 123.648 0.592 . . . . 0.0 111.798 -169.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -81.32 -12.77 58.95 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 122.828 0.451 . . . . 0.0 111.45 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -97.51 158.95 15.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.28 129.92 36.52 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.373 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.401 ' CG2' ' HB2' ' A' ' 35' ' ' TRP . 75.8 mt -71.47 127.99 90.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.172 177.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.08 157.25 35.3 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.399 2.066 . . . . 0.0 112.295 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -72.57 110.08 6.69 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.967 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.52 -16.86 3.33 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.397 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.517 ' CZ3' ' HB2' ' A' ' 17' ' ' ASN . 84.3 m95 -107.21 140.6 39.83 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.431 -0.452 . . . . 0.0 110.649 177.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 36' ' ' ARG . 7.8 tpp180 -110.47 136.81 49.03 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.03 118.66 13.16 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -167.24 91.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.923 0.868 . . . . 0.0 111.579 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.576 ' HA3' ' HB ' ' A' ' 14' ' ' VAL . . . 164.96 -121.45 1.01 Allowed Glycine 0 CA--C 1.522 0.527 0 C-N-CA 119.117 -1.516 . . . . 0.0 112.327 175.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -129.32 137.86 51.25 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 114.806 -0.697 . . . . 0.0 109.542 -175.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -109.32 140.37 43.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.993 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.33 -141.17 8.11 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 119.699 -1.239 . . . . 0.0 111.422 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 43' ' ' LEU . 2.7 mm? -79.41 175.29 10.74 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.437 -0.382 . . . . 0.0 110.856 -177.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.64 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 55.6 tptt -56.12 -47.5 77.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.893 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.6 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -60.01 -32.78 71.2 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.452 -179.64 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.6 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 45.7 m-20 -69.63 -38.09 77.06 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 64.0 m -71.81 -44.72 63.46 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 124.178 0.924 . . . . 0.0 110.214 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 77.7 mt -55.14 -49.91 70.61 Favored 'General case' 0 C--O 1.242 0.676 0 O-C-N 124.033 0.833 . . . . 0.0 110.741 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.668 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -54.49 -47.41 73.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.254 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 89.8 t80 -53.82 -50.15 66.8 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 123.511 0.507 . . . . 0.0 112.288 -176.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.68 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 2.1 mp -64.33 -34.12 67.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.364 0.602 . . . . 0.0 110.849 -177.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -71.32 -31.44 67.41 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 121.488 -0.758 . . . . 0.0 112.594 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.668 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 5.2 mm-40 -44.5 -62.11 1.3 Allowed 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 118.731 -0.652 . . . . 0.0 112.628 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.68 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.8 p . . . . . 0 N--CA 1.471 0.584 0 CA-C-N 120.535 1.516 . . . . 0.0 111.104 -4.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -113.03 159.35 19.25 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.034 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.455 ' NE2' HD11 ' A' ' 31' ' ' ILE . 20.4 pt20 -134.85 147.82 49.99 Favored 'General case' 0 N--CA 1.435 -1.213 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.2 t -91.25 125.41 43.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 m -113.57 145.29 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' ' 20' ' ' GLU . 7.6 p -136.42 140.83 42.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -178.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.582 ' OD1' ' HG2' ' A' ' 21' ' ' GLN . 34.1 p-10 -92.9 -170.38 2.42 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -81.2 7.61 10.83 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.734 0.778 . . . . 0.0 111.374 -176.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -112.6 7.77 18.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.538 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 27.4 tt0 58.88 43.97 17.37 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.888 177.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.582 ' HG2' ' OD1' ' A' ' 17' ' ' ASN . 11.4 pt20 -107.71 143.84 35.66 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 171.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -112.77 143.26 44.3 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -168.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.5 m -154.11 174.76 14.28 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 174.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.3 pt -120.84 146.45 25.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.248 0.547 . . . . 0.0 110.304 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 46.1 t-105 -137.0 138.53 26.03 Favored Pre-proline 0 C--N 1.315 -0.902 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -176.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 33.4 Cg_exo -61.26 130.78 33.52 Favored 'Trans proline' 0 C--O 1.223 -0.232 0 C-N-CA 122.128 1.885 . . . . 0.0 111.344 176.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.24 -23.96 67.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.028 0.83 . . . . 0.0 111.697 -172.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -67.13 -26.68 66.8 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -100.55 146.63 26.86 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.99 0.424 . . . . 0.0 111.364 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -71.27 139.25 49.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.934 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.455 HD11 ' NE2' ' A' ' 13' ' ' GLN . 41.3 mt -68.88 137.45 90.03 Favored Pre-proline 0 C--O 1.237 0.422 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.726 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -58.51 141.7 97.49 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.599 2.199 . . . . 0.0 110.792 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -67.91 114.27 6.33 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.75 -24.05 2.76 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -108.21 161.25 15.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.954 -0.623 . . . . 0.0 109.718 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 36' ' ' ARG . 17.9 ttp85 -134.55 146.05 49.29 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.08 135.47 44.81 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.486 -178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.21 12.25 22.92 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.672 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.18 -6.46 71.66 Favored Glycine 0 N--CA 1.462 0.386 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.348 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -106.52 110.65 22.92 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.027 0.441 . . . . 0.0 111.726 -174.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.4 t -124.16 148.32 47.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.959 174.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.83 -163.75 37.4 Favored Glycine 0 C--N 1.312 -0.786 0 C-N-CA 121.209 -0.519 . . . . 0.0 112.232 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 43' ' ' LEU . 4.5 mm? -72.59 174.31 7.69 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.895 0.379 . . . . 0.0 110.765 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.604 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 21.7 ttmm -59.49 -53.34 59.2 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.352 -177.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.592 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -56.87 -33.17 66.59 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.901 -177.23 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.592 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 1.9 t70 -70.79 -39.67 73.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.594 -175.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.627 ' O ' HG12 ' A' ' 51' ' ' ILE . 66.5 m -73.75 -42.33 61.24 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.478 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 88.2 mt -57.97 -47.6 82.47 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.435 178.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.25 -40.26 77.26 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 124.023 0.827 . . . . 0.0 110.946 176.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -65.11 -38.89 92.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.381 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.627 HG12 ' O ' ' A' ' 47' ' ' CYS . 22.8 mm -71.32 -34.35 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 121.162 0.506 . . . . 0.0 109.846 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.16 -37.01 78.87 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 123.243 0.617 . . . . 0.0 111.681 175.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.622 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 75.1 mm-40 -44.65 -61.13 1.68 Allowed 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -176.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.622 ' C ' ' HB2' ' A' ' 53' ' ' GLU . 2.7 p . . . . . 0 N--CA 1.476 0.831 0 O-C-N 119.279 -2.138 . . . . 0.0 108.782 -2.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.44 ' HG2' HD13 ' A' ' 43' ' ' LEU . 48.8 mt-30 . . . . . 0 C--O 1.235 0.337 0 CA-C-O 121.116 0.484 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -124.41 164.24 20.08 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 122.61 1.195 . . . . 0.0 111.687 -176.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -139.76 148.71 42.64 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.278 -1.328 . . . . 0.0 108.262 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -90.22 121.82 40.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.5 m -115.41 147.91 18.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-O 121.634 0.731 . . . . 0.0 110.702 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 20' ' ' GLU . 14.2 p -130.88 137.38 56.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.122 179.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -84.81 175.78 8.93 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.419 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 40.2 m80 -70.83 -4.29 23.36 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 177.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -96.26 7.7 45.77 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.449 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 47.1 mt-10 55.61 29.18 13.1 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.925 178.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -94.72 138.58 32.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.686 171.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -98.87 151.16 21.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.243 0.544 . . . . 0.0 110.637 -173.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.8 m -154.76 171.76 19.06 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.493 -1.23 . . . . 0.0 109.76 172.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.1 pt -113.0 128.53 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 O-C-N 121.677 -0.639 . . . . 0.0 110.603 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -128.98 135.85 28.27 Favored Pre-proline 0 N--CA 1.445 -0.678 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.049 -175.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -57.95 136.51 75.6 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 121.92 1.747 . . . . 0.0 111.129 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.56 -45.4 90.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.065 0.46 . . . . 0.0 111.288 -172.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -69.1 -17.72 63.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.464 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HE2' ' HB2' ' A' ' 29' ' ' LYS . 23.0 ttmm -86.33 142.4 28.52 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.921 -177.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -80.41 130.77 35.38 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 25.7 pt -83.12 144.69 47.64 Favored Pre-proline 0 C--O 1.241 0.611 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.547 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 13.2 Cg_exo -67.59 155.35 70.49 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.149 1.9 . . . . 0.0 110.732 174.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -74.4 124.94 27.45 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.443 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.419 ' HA2' ' CE1' ' A' ' 18' ' ' HIS . . . 131.18 -26.76 3.9 Favored Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -173.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -102.53 150.21 23.62 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.144 -0.528 . . . . 0.0 109.598 176.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -141.88 161.81 37.04 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 123.347 0.404 . . . . 0.0 110.413 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.19 114.24 6.51 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 123.472 0.482 . . . . 0.0 110.384 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.27 -54.56 14.03 Favored 'General case' 0 C--O 1.205 -1.238 0 C-N-CA 122.781 0.433 . . . . 0.0 111.259 -176.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.66 -99.6 0.18 Allowed Glycine 0 C--O 1.24 0.496 0 C-N-CA 119.634 -1.27 . . . . 0.0 112.97 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -101.4 147.09 26.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.027 0.442 . . . . 0.0 110.928 -172.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 p -131.62 154.01 49.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.306 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.94 -127.35 1.47 Allowed Glycine 0 C--O 1.225 -0.458 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.734 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.597 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 4.3 mm? -80.03 175.46 10.61 Favored 'General case' 0 C--O 1.247 0.943 0 CA-C-O 120.538 0.209 . . . . 0.0 110.701 177.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.65 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 84.2 tttt -56.99 -45.62 82.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.022 0.439 . . . . 0.0 111.024 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.597 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -59.3 -31.25 68.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.993 178.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.471 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 10.7 t70 -66.39 -48.98 68.39 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.759 -177.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.0 p -70.71 -35.94 72.99 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 121.484 0.659 . . . . 0.0 110.772 -176.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 77.1 mt -57.54 -49.69 75.53 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.618 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -57.18 -40.49 77.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.888 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.423 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 60.7 t80 -59.02 -40.65 85.62 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.421 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.608 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -67.54 -34.88 71.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.861 0.362 . . . . 0.0 110.235 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.98 -33.02 74.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.08 177.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.535 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 5.7 mm-40 -46.76 -61.54 1.8 Allowed 'General case' 0 CA--C 1.543 0.686 0 O-C-N 124.493 1.121 . . . . 0.0 112.775 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.608 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.4 p . . . . . 0 N--CA 1.472 0.636 0 CA-C-N 121.51 1.959 . . . . 0.0 108.706 -7.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.428 HE21 HD13 ' A' ' 43' ' ' LEU . 2.7 mp0 . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 121.278 0.561 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.529 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . 7.5 m-85 -131.48 -178.94 5.08 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 122.257 1.027 . . . . 0.0 111.131 -176.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -156.24 161.5 40.25 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.6 t -98.78 133.92 39.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 O-C-N 123.557 0.535 . . . . 0.0 110.068 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 17.0 m -115.66 142.18 29.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 O-C-N 123.773 0.671 . . . . 0.0 110.167 177.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.483 ' HB ' ' HB2' ' A' ' 38' ' ' ALA . 14.5 p -113.83 136.2 51.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.691 0.757 . . . . 0.0 111.796 -174.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB3' ' H ' ' A' ' 21' ' ' GLN . 26.6 t-20 -82.1 164.96 20.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.204 177.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -68.63 -3.91 13.6 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.859 0.838 . . . . 0.0 111.983 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.463 ' HB2' HE22 ' A' ' 21' ' ' GLN . 45.0 mt-10 -114.44 17.04 17.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.613 176.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 57.9 49.31 12.12 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.962 1.305 . . . . 0.0 112.398 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.463 HE22 ' HB2' ' A' ' 19' ' ' GLU . 1.1 mp0 -91.71 140.59 29.56 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 167.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -108.75 121.9 46.02 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -177.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.6 m -128.48 163.88 23.96 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.2 pt -108.81 139.67 30.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 C-N-CA 120.376 -0.53 . . . . 0.0 109.999 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -142.22 132.94 12.77 Favored Pre-proline 0 N--CA 1.445 -0.695 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.51 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -55.11 126.74 23.58 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.771 2.314 . . . . 0.0 112.402 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -5.4 32.02 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.257 0.551 . . . . 0.0 111.908 -174.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -72.35 -38.41 68.58 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.14 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -100.47 166.26 11.03 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 123.824 0.703 . . . . 0.0 110.507 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -73.51 143.51 46.53 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.472 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.495 HG23 HG11 ' A' ' 15' ' ' VAL . 66.8 mt -61.13 135.6 93.49 Favored Pre-proline 0 C--O 1.239 0.516 0 C-N-CA 122.788 0.435 . . . . 0.0 110.621 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.3 135.81 46.47 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.875 2.383 . . . . 0.0 111.15 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -62.55 121.12 12.52 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.678 0.751 . . . . 0.0 111.272 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.91 -15.63 18.85 Favored Glycine 0 C--O 1.227 -0.318 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.26 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.504 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 50.9 m95 -105.81 164.13 12.18 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 123.852 0.383 . . . . 0.0 110.884 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 94.4 mtt180 -139.36 155.8 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.229 0.331 . . . . 0.0 110.212 177.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.93 126.39 29.55 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.726 0.298 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HB2' ' HB ' ' A' ' 16' ' ' VAL . . . -118.4 132.24 56.26 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.582 -176.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.2 -91.99 1.04 Allowed Glycine 0 C--N 1.309 -0.951 0 O-C-N 123.984 0.803 . . . . 0.0 113.792 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -151.55 167.91 26.57 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.655 0.74 . . . . 0.0 111.63 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -125.98 159.72 31.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.412 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.47 -137.21 5.47 Favored Glycine 0 CA--C 1.498 -1.021 0 CA-C-O 119.635 -0.536 . . . . 0.0 111.775 -178.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB2' ' OD2' ' A' ' 46' ' ' ASP . 3.9 mm? -67.35 158.73 30.91 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 117.472 0.636 . . . . 0.0 109.544 175.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.571 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 24.9 ttpp -63.33 -42.18 98.95 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.098 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -29.48 70.54 Favored 'General case' 0 N--CA 1.44 -0.939 0 O-C-N 123.897 0.748 . . . . 0.0 111.02 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.457 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 67.0 m-20 -71.41 -33.41 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.7 m -75.34 -38.42 60.19 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.453 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 75.8 mt -60.84 -42.09 97.1 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.744 173.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.61 74.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.756 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.719 ' HA ' ' HG3' ' A' ' 53' ' ' GLU . 75.2 t80 -58.17 -34.09 69.93 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.707 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -70.99 -33.03 50.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.305 0.574 . . . . 0.0 110.059 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -64.51 -41.05 96.64 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.7 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.719 ' HG3' ' HA ' ' A' ' 50' ' ' TYR . 4.3 mt-10 -46.91 -61.38 1.89 Allowed 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 118.04 -0.981 . . . . 0.0 113.309 -174.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.707 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.5 p . . . . . 0 C--N 1.342 0.27 0 CA-C-N 121.251 1.841 . . . . 0.0 110.221 -2.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 . . . . . 0 C--O 1.246 0.873 0 CA-C-O 121.852 0.834 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -128.4 179.95 5.36 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.704 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 25.3 pt20 -149.07 155.18 40.36 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.841 ' HB ' ' HA3' ' A' ' 39' ' ' GLY . 41.7 t -99.68 123.54 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.202 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -117.24 163.31 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-O 121.056 0.455 . . . . 0.0 109.924 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 p -129.08 144.34 38.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.495 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -91.76 -178.23 4.99 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 176.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -77.89 -4.2 45.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.154 0.502 . . . . 0.0 110.925 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.48 ' HB2' ' HG3' ' A' ' 21' ' ' GLN . 14.6 mp0 -104.85 8.51 34.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.027 0.441 . . . . 0.0 110.072 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 70.01 22.38 5.78 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 122.341 1.067 . . . . 0.0 109.635 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 23.5 mt-30 -78.08 127.34 32.17 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.369 171.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -103.31 144.41 31.39 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 123.358 0.411 . . . . 0.0 110.953 -176.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 t -151.45 176.1 11.63 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.8 pt -110.94 145.2 17.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.439 0.637 . . . . 0.0 111.434 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.426 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 71.7 t-105 -140.54 142.05 27.6 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 115.168 -0.923 . . . . 0.0 108.601 -178.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.69 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 52.1 Cg_exo -52.69 128.84 29.83 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.757 1.638 . . . . 0.0 111.92 176.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HG3' ' HB3' ' A' ' 41' ' ' SER . 4.9 tm-20 -64.89 -31.45 72.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.581 0.551 . . . . 0.0 111.481 -174.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.469 ' OH ' ' HE2' ' A' ' 29' ' ' LYS . 19.8 p90 -84.55 -12.51 54.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.602 -175.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.69 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 62.3 mttm -95.09 158.13 15.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 119.58 -0.248 . . . . 0.0 110.441 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -82.04 132.12 35.25 Favored 'General case' 0 N--CA 1.441 -0.895 0 O-C-N 124.109 0.881 . . . . 0.0 110.18 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.6 mt -74.39 137.4 74.82 Favored Pre-proline 0 N--CA 1.451 -0.389 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.201 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.25 146.94 96.84 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 122.579 2.186 . . . . 0.0 112.121 175.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.41 96.47 6.05 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -175.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.48 -23.13 0.43 Allowed Glycine 0 C--N 1.306 -1.118 0 CA-C-N 113.899 -1.5 . . . . 0.0 109.806 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -107.73 146.44 32.11 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -126.45 139.83 52.94 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.78 126.08 28.8 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.8 -15.48 2.06 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.224 0.535 . . . . 0.0 111.858 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.841 ' HA3' ' HB ' ' A' ' 14' ' ' VAL . . . -109.52 -176.75 21.27 Favored Glycine 0 N--CA 1.439 -1.148 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.619 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -80.18 170.55 16.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.744 0.307 . . . . 0.0 110.557 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.443 ' HB3' ' HG3' ' A' ' 27' ' ' GLU . 4.7 m -122.54 149.22 44.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.671 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.15 -149.84 20.03 Favored Glycine 0 C--O 1.222 -0.614 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.12 161.23 19.44 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.615 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 88.2 tttt -63.64 -47.38 81.55 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.082 -175.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -61.54 -34.44 75.56 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.879 -179.167 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 35.4 t70 -68.37 -37.47 80.47 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.804 0.811 . . . . 0.0 110.312 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 77.0 m -70.43 -40.51 73.76 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.128 176.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 84.3 mt -60.07 -42.31 94.26 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 121.29 0.567 . . . . 0.0 110.788 176.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.4 -40.16 77.68 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.912 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.562 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 68.2 t80 -57.13 -42.64 81.33 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.304 176.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.541 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.7 mp -60.47 -34.75 59.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-O 121.272 0.558 . . . . 0.0 110.272 -177.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.43 -43.09 99.66 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.5 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.608 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 21.9 mm-40 -45.68 -62.96 1.08 Allowed 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.909 0.755 . . . . 0.0 112.762 -174.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.608 ' C ' ' HB2' ' A' ' 53' ' ' GLU . 2.2 p . . . . . 0 N--CA 1.483 1.192 0 CA-C-N 121.981 2.173 . . . . 0.0 110.507 -1.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.789 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 88.9 mt-30 . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.683 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 97.9 m-85 -122.02 177.17 5.43 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 122.443 1.116 . . . . 0.0 111.661 -174.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -138.91 146.4 41.03 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 113.733 -1.576 . . . . 0.0 106.956 169.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.36 121.23 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.843 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.619 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.437 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 16.4 m -114.76 146.71 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-O 121.256 0.55 . . . . 0.0 110.787 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -118.77 134.59 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-O 121.158 0.504 . . . . 0.0 110.474 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -89.15 168.39 12.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.74 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -71.26 2.06 5.25 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 121.178 0.513 . . . . 0.0 111.623 -175.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -104.73 9.1 35.15 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.455 0.645 . . . . 0.0 109.822 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 59.6 48.97 8.91 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.177 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -116.54 130.06 56.54 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.707 170.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -92.24 147.81 22.64 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.762 0.791 . . . . 0.0 111.781 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.9 m -149.92 170.25 19.26 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.2 pt -120.49 128.99 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.929 0 CA-C-O 121.234 0.54 . . . . 0.0 110.93 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 47.3 t-105 -118.18 132.09 23.9 Favored Pre-proline 0 C--N 1.309 -1.183 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.168 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 52.2 Cg_exo -56.39 116.15 2.98 Favored 'Trans proline' 0 C--N 1.334 -0.218 0 C-N-CA 121.913 1.742 . . . . 0.0 112.232 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -51.54 -26.7 9.02 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -61.1 -39.99 92.04 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.405 0.622 . . . . 0.0 110.873 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -96.19 153.32 17.86 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.525 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -81.8 135.17 35.47 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.25 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 23.9 pt -72.97 155.52 90.41 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 121.217 0.532 . . . . 0.0 111.385 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -85.4 159.3 11.05 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 123.202 2.601 . . . . 0.0 111.55 174.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -64.79 130.14 42.41 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.204 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.78 -16.48 8.9 Favored Glycine 0 C--N 1.31 -0.879 0 C-N-CA 120.253 -0.975 . . . . 0.0 111.801 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.437 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 91.4 m95 -107.94 144.99 34.45 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.051 0.453 . . . . 0.0 110.034 175.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -118.03 133.8 55.57 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 116.334 -0.394 . . . . 0.0 109.978 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.25 124.77 28.3 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -173.57 102.61 0.12 Allowed 'General case' 0 C--O 1.242 0.677 0 CA-C-O 121.135 0.493 . . . . 0.0 111.425 -170.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.58 -89.09 0.14 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.273 -0.965 . . . . 0.0 113.367 174.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -136.86 132.18 34.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.095 0.474 . . . . 0.0 110.296 -175.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 m -118.84 117.96 30.27 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.932 175.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.34 -150.49 10.17 Favored Glycine 0 CA--C 1.501 -0.786 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.789 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -92.88 176.58 6.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.763 0.782 . . . . 0.0 111.566 178.494 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -46.54 -51.34 15.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.872 0.869 . . . . 0.0 113.267 -174.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HD2' ' C ' ' A' ' 45' ' ' LYS . 1.1 tmmt? -62.76 -47.09 85.05 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.26 -0.176 . . . . 0.0 111.303 -174.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -70.0 -32.79 71.14 Favored 'General case' 0 CA--C 1.508 -0.671 0 O-C-N 123.571 0.545 . . . . 0.0 110.773 -175.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 51.8 m -66.05 -53.35 39.48 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.921 0.867 . . . . 0.0 110.146 176.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.6 tp -55.57 -49.55 72.44 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.256 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.687 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -52.14 -41.22 62.35 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 123.957 0.786 . . . . 0.0 111.386 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.508 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 76.2 t80 -59.67 -47.7 84.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.401 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.596 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.9 mp -68.8 -38.21 78.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 O-C-N 121.44 -0.788 . . . . 0.0 111.633 -171.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.71 -36.96 85.59 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.443 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.687 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 52.4 mm-40 -50.04 -62.98 1.26 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.596 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.7 p . . . . . 0 CA--C 1.542 0.643 0 CA-C-N 121.436 1.926 . . . . 0.0 110.786 -2.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.7 ' N ' ' HH ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.339 0 CA-C-O 121.588 0.709 . . . . 0.0 110.344 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -121.57 172.86 7.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.354 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.501 ' NE2' ' HA ' ' A' ' 27' ' ' GLU . 28.3 pt20 -145.19 152.78 40.55 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.077 -0.965 . . . . 0.0 108.683 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.75 129.68 44.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.871 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.9 m -114.49 141.57 30.42 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 C-N-CA 119.963 -0.695 . . . . 0.0 110.028 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 13.9 p -121.67 138.26 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.549 -177.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.51 ' HB3' ' HB3' ' A' ' 21' ' ' GLN . 61.9 t30 -90.87 164.34 14.08 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 175.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -73.93 16.05 0.25 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.145 0.498 . . . . 0.0 111.227 -176.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -102.56 5.11 39.14 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 170.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 63.78 41.89 6.56 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -171.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.514 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 7.6 tp-100 -94.06 120.14 33.9 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.004 -177.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -95.59 128.54 42.54 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.846 0.355 . . . . 0.0 111.741 -175.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -148.16 170.27 18.2 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 pt -119.03 149.48 21.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 O-C-N 121.993 -0.442 . . . . 0.0 110.434 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.431 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 68.1 t-105 -147.27 138.74 13.39 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.97 132.71 53.89 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.744 2.296 . . . . 0.0 112.09 175.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.501 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 44.4 tt0 -71.28 -25.82 62.61 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.791 0.329 . . . . 0.0 111.295 -175.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.7 ' HH ' ' N ' ' A' ' 11' ' ' GLN . 6.5 m-85 -64.91 -27.61 68.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.418 0.627 . . . . 0.0 110.817 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -96.2 147.86 23.31 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.478 -175.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -68.51 143.39 54.98 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.2 mt -69.4 129.88 91.3 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -56.45 148.14 64.51 Favored 'Trans proline' 0 C--O 1.243 0.763 0 C-N-CA 122.801 2.334 . . . . 0.0 113.176 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -64.93 121.13 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.371 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.5 -20.79 7.33 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.797 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -105.51 155.1 19.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.039 0.447 . . . . 0.0 110.099 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.54 ' HA ' ' HE ' ' A' ' 36' ' ' ARG . 2.3 tpm_? -125.02 144.13 50.55 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.99 131.04 44.74 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 121.109 0.481 . . . . 0.0 110.9 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.01 112.14 23.37 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.85 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.53 87.93 0.01 OUTLIER Glycine 0 N--CA 1.471 0.972 0 O-C-N 124.709 1.256 . . . . 0.0 115.822 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.747 ' HG2' ' HB2' ' A' ' 50' ' ' TYR . 46.9 tptt -170.85 98.07 0.22 Allowed 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 171.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 p -130.81 149.81 52.27 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 123.541 0.526 . . . . 0.0 110.518 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.07 -143.7 10.23 Favored Glycine 0 C--N 1.308 -0.999 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.474 ' HB2' ' HE3' ' A' ' 45' ' ' LYS . 4.1 mm? -68.2 153.07 44.48 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.105 176.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.489 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 53.4 tttm -51.69 -40.87 60.88 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.192 0.597 . . . . 0.0 110.727 -176.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.64 -32.4 71.57 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -179.363 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.43 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 38.3 t70 -69.57 -37.59 77.05 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.257 0.551 . . . . 0.0 110.477 -177.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.8 m -71.64 -37.42 70.84 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-O 121.322 0.582 . . . . 0.0 109.875 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 78.9 mt -61.98 -42.98 99.74 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.946 176.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HA ' ' OE2' ' A' ' 52' ' ' GLU . . . -57.04 -40.72 77.33 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.225 177.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.747 ' HB2' ' HG2' ' A' ' 40' ' ' LYS . 89.9 t80 -53.7 -49.47 67.98 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 123.673 0.608 . . . . 0.0 111.478 176.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.674 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.8 mp -61.08 -35.08 63.03 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 121.312 0.577 . . . . 0.0 110.417 -179.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.443 ' OE2' ' HA ' ' A' ' 49' ' ' ALA . 49.4 mt-10 -59.29 -44.5 92.49 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.671 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.524 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 23.6 mm-40 -45.52 -62.76 1.15 Allowed 'General case' 0 N--CA 1.475 0.784 0 O-C-N 124.703 1.252 . . . . 0.0 113.546 -174.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.6 p . . . . . 0 N--CA 1.465 0.298 0 CA-C-N 121.445 1.929 . . . . 0.0 109.921 -3.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mtp . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 t -98.41 153.77 18.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.938 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 m -107.32 15.89 24.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.792 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.8 -46.87 93.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.221 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.418 ' HD2' ' HD2' ' A' ' 7' ' ' ARG . 74.4 t80 65.92 114.93 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.371 1.044 . . . . 0.0 110.541 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.8 115.16 20.16 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.646 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -140.88 53.81 1.58 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.012 0.434 . . . . 0.0 109.908 177.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.25 65.65 2.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.486 -174.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -105.95 110.15 22.34 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.417 HG13 ' HE2' ' A' ' 28' ' ' TYR . 14.6 tt -97.43 114.11 33.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -96.16 149.04 22.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.123 0.964 . . . . 0.0 111.49 -173.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -130.36 178.51 6.53 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 113.812 -1.54 . . . . 0.0 108.589 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -145.47 159.26 43.36 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.019 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.482 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 82.8 t -96.33 127.77 48.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.0 m -116.21 145.42 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-O 121.207 0.527 . . . . 0.0 111.186 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.0 p -120.4 133.96 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-O 121.506 0.67 . . . . 0.0 110.451 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.644 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 44.3 t30 -89.7 170.16 10.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.793 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -69.11 -4.02 15.65 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 121.08 0.466 . . . . 0.0 111.514 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.32 9.85 41.18 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 171.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 53.59 39.13 29.69 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 124.036 0.934 . . . . 0.0 112.431 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.644 ' HG2' ' HB3' ' A' ' 17' ' ' ASN . 20.9 pt20 -96.99 148.04 23.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.005 174.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.426 ' CE2' HG11 ' A' ' 54' ' ' VAL . 50.2 m-85 -108.75 122.79 47.89 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.49 0.662 . . . . 0.0 110.548 -173.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -131.84 173.76 10.84 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -177.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.6 pt -113.21 151.35 15.1 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 CA-C-O 121.041 0.448 . . . . 0.0 110.242 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 64.2 t-105 -147.82 136.47 11.42 Favored Pre-proline 0 N--CA 1.446 -0.639 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 33.1 Cg_exo -63.58 140.24 74.25 Favored 'Trans proline' 0 N--CA 1.479 0.662 0 C-N-CA 122.163 1.909 . . . . 0.0 112.501 178.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -61.66 -25.69 67.54 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.72 0.772 . . . . 0.0 111.842 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.417 ' HE2' HG13 ' A' ' 10' ' ' ILE . 6.6 m-85 -87.94 -4.19 58.85 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.316 -172.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -111.38 146.11 37.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.43 0.633 . . . . 0.0 110.306 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.19 138.17 45.5 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.969 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.3 mt -76.33 136.24 68.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -58.97 140.75 96.74 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 121.95 1.767 . . . . 0.0 110.813 174.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -63.63 122.26 15.93 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.969 0.793 . . . . 0.0 110.795 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.47 -13.32 7.38 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.531 -176.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -117.49 162.64 17.65 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -142.12 161.8 37.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.92 141.52 34.45 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.204 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -149.92 164.38 35.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.505 -178.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.1 -125.16 9.46 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.193 -1.003 . . . . 0.0 112.465 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -127.36 145.73 50.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.526 -0.337 . . . . 0.0 111.007 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 m -103.26 147.36 27.15 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.81 -145.18 10.16 Favored Glycine 0 C--O 1.217 -0.958 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.55 -176.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.437 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 3.2 mm? -74.06 168.6 19.2 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 117.133 0.466 . . . . 0.0 110.22 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.624 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 28.9 ttpp -62.35 -41.64 98.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.089 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.24 -31.98 70.71 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 123.606 0.566 . . . . 0.0 112.004 177.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.433 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 24.1 m-20 -67.58 -37.82 83.17 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.45 0.643 . . . . 0.0 110.49 176.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.415 ' O ' HD13 ' A' ' 51' ' ' ILE . 63.0 m -72.75 -41.62 64.91 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.568 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 69.1 mt -59.66 -51.2 70.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.893 0.378 . . . . 0.0 110.503 178.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -57.18 -45.77 83.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.679 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.569 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 87.4 t80 -57.92 -51.53 69.24 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 123.954 0.784 . . . . 0.0 112.386 -178.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.7 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.7 mp -61.51 -33.88 59.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 CA-C-O 121.023 0.439 . . . . 0.0 110.707 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.77 -43.61 94.25 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.209 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.668 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 4.3 mm-40 -49.18 -61.07 2.28 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -174.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.7 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.8 p -86.74 -28.3 5.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 O-C-N 119.153 -2.217 . . . . 0.0 108.236 -5.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -112.99 151.86 30.11 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 157.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.438 ' HB ' ' HB3' ' A' ' 53' ' ' GLU . 10.0 t -141.78 137.3 31.47 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.503 -174.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -140.62 -37.8 0.45 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.117 0.567 . . . . 0.0 110.726 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 81.3 mtp -88.33 -51.0 5.98 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.477 0.656 . . . . 0.0 110.474 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -154.46 131.21 5.85 Favored Pre-proline 0 N--CA 1.442 -0.844 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.562 -173.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -78.68 96.2 1.09 Allowed 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.123 1.882 . . . . 0.0 111.11 173.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.645 HD21 ' O ' ' A' ' 53' ' ' GLU . 0.3 OUTLIER -72.45 0.84 9.17 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -175.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.0 p -62.4 -9.28 7.83 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.688 0.756 . . . . 0.0 109.924 168.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 64' ' ' ARG . 4.6 pp -60.96 -25.55 66.91 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.701 175.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 39.4 ptt180 -71.68 -17.7 62.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.961 0.41 . . . . 0.0 110.384 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.559 ' CB ' ' HA ' ' A' ' 71' ' ' ALA . 11.3 mm-40 -87.43 -0.43 56.78 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.907 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -81.48 -18.56 44.76 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 172.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 24.4 mmt -73.59 -36.08 65.48 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.175 173.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.43 -72.58 0.16 Allowed 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.296 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -146.86 -77.08 0.18 Allowed 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.28 26.75 0.86 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -174.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.559 ' HA ' ' CB ' ' A' ' 65' ' ' GLN . . . 66.11 22.6 11.09 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.106 0.479 . . . . 0.0 111.887 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.851 0 CA-C-O 117.963 -1.465 . . . . 0.0 112.226 179.694 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.825 0.345 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 m -132.9 114.69 14.34 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.134 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 m -76.17 88.28 3.05 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.7 p -53.13 -52.16 32.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.91 -174.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.1 t80 179.75 89.53 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.456 0.646 . . . . 0.0 109.831 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -106.74 124.23 49.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.918 177.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -89.83 -50.77 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.527 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -85.79 -41.83 14.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.491 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.62 ' HA ' ' HE3' ' A' ' 44' ' ' LYS . 6.5 t70 -84.08 85.24 7.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.953 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.3 pt -90.08 -162.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.059 -177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.518 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 2.6 mp0 -95.62 121.71 37.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.605 0.717 . . . . 0.0 110.622 -174.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -124.87 177.22 6.13 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.73 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -149.04 153.48 37.92 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.528 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 47.7 t -92.06 129.21 43.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 16.6 m -114.18 138.69 43.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.325 0.583 . . . . 0.0 110.569 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' A' ' 20' ' ' GLU . 8.0 p -117.41 130.81 71.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.728 0.775 . . . . 0.0 109.572 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -79.77 170.42 16.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.307 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -68.78 -1.61 7.49 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.874 0.845 . . . . 0.0 110.885 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -111.02 16.3 21.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.138 174.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 12.7 pt-20 49.58 49.1 20.53 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 122.918 1.342 . . . . 0.0 110.85 -177.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 3.1 tp-100 -92.85 128.68 38.8 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.157 172.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -96.76 136.92 36.62 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.007 0.432 . . . . 0.0 111.834 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -154.3 173.2 16.49 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.196 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 pt -112.3 144.68 19.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -143.75 135.99 13.27 Favored Pre-proline 0 C--N 1.316 -0.89 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -59.53 127.37 23.52 Favored 'Trans proline' 0 CA--C 1.516 -0.378 0 C-N-CA 122.023 1.815 . . . . 0.0 111.506 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' A' ' 11' ' ' GLN . 5.6 pt-20 -70.75 -14.93 62.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.057 0.456 . . . . 0.0 111.468 -172.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -65.65 -32.75 74.49 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.718 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -103.0 157.31 17.07 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.829 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -75.71 150.91 37.75 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.893 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.432 HD11 ' HB2' ' A' ' 37' ' ' ALA . 42.1 mt -77.69 135.7 63.97 Favored Pre-proline 0 C--N 1.322 -0.617 0 C-N-CA 123.235 0.614 . . . . 0.0 110.38 -176.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -57.17 143.6 92.82 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 122.257 1.971 . . . . 0.0 111.202 172.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -68.05 122.02 17.35 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.24 -20.33 5.61 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -173.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.429 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 36.3 m95 -118.09 159.81 22.59 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 124.604 0.826 . . . . 0.0 109.004 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -136.24 152.15 50.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.994 0.184 . . . . 0.0 110.523 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.432 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -73.13 134.07 44.34 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.67 0.272 . . . . 0.0 110.747 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.528 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -153.85 167.37 29.9 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -177.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.68 -105.04 1.64 Allowed Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 114.944 0.738 . . . . 0.0 114.944 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.413 ' HD2' ' O ' ' A' ' 46' ' ' ASP . 63.4 mttm -128.62 141.23 51.42 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.075 0.464 . . . . 0.0 111.129 -175.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 t -123.6 117.0 24.03 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 173.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' A' ' 11' ' ' GLN . . . 172.45 -130.02 1.83 Allowed Glycine 0 CA--C 1.494 -1.28 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.973 -173.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.453 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 4.0 mm? -75.41 156.65 35.14 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.745 0.273 . . . . 0.0 110.852 178.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.623 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 27.7 ttpp -59.91 -41.28 91.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.049 0.452 . . . . 0.0 110.942 -178.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.453 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -63.31 -30.65 71.75 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.616 -179.135 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.413 ' O ' ' HD2' ' A' ' 40' ' ' LYS . 20.9 m-20 -72.48 -35.54 68.23 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.346 1.029 . . . . 0.0 110.529 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.7 m -73.26 -44.78 58.72 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.889 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 66.2 mt -55.98 -44.06 78.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.403 0.62 . . . . 0.0 110.343 176.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.16 -48.7 67.77 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.379 177.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.544 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 92.3 t80 -54.67 -46.27 74.03 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.426 -177.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.687 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 2.0 mp -64.36 -34.89 72.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.495 -176.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.1 -42.09 99.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.08 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 16.2 mm-40 -46.49 -60.96 2.03 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -172.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.687 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.9 p -99.46 -42.25 10.43 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 CA-C-N 120.703 1.592 . . . . 0.0 111.456 -3.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.9 t90 -112.51 30.84 6.77 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.6 t -133.54 138.17 45.93 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.792 -175.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -122.01 79.29 1.57 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.037 0.446 . . . . 0.0 109.851 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 66.6 mtt -130.05 -48.12 1.12 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -134.48 79.01 55.41 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.534 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -62.3 164.8 16.52 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.496 2.131 . . . . 0.0 112.945 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.718 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 56.5 tp -68.04 -10.34 52.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.66 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 p -54.83 -52.47 62.63 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.795 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.1 pt? -91.56 -14.76 29.75 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.565 0.541 . . . . 0.0 109.627 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.718 ' HB3' ' HA ' ' A' ' 61' ' ' LEU . 70.0 ttt180 -75.33 -35.13 61.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.153 0.501 . . . . 0.0 110.904 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.609 ' OE1' ' HG2' ' A' ' 67' ' ' MET . 6.0 tp-100 -78.06 102.48 7.47 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.118 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -100.92 -34.6 9.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.19 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.609 ' HG2' ' OE1' ' A' ' 65' ' ' GLN . 26.8 ptm -74.39 -16.31 60.89 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -173.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 13.0 t70 -139.74 123.11 17.09 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-O 121.249 0.547 . . . . 0.0 110.89 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -166.06 169.69 14.3 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.49 -36.59 78.7 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 123.595 0.559 . . . . 0.0 110.648 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.21 110.15 11.67 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.428 174.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.618 0 CA-C-O 119.291 -0.727 . . . . 0.0 111.805 -178.08 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.93 0.395 . . . . 0.0 111.355 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.9 m -105.28 127.27 52.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 121.957 -0.464 . . . . 0.0 111.29 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.515 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 8.9 t -112.48 -171.44 1.86 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 178.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.0 m -87.2 -30.24 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.105 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -174.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -139.9 11.82 2.44 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' A' ' 3' ' ' SER . 33.1 t70 -81.72 86.28 6.46 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.493 0.663 . . . . 0.0 111.282 -176.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.6 tpt85 -134.5 -58.4 0.83 Allowed 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.84 171.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -125.0 31.23 5.68 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -72.83 -34.21 66.68 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.605 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.677 HG13 ' HE1' ' A' ' 28' ' ' TYR . 5.8 tt -48.08 112.85 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.38 172.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -92.77 161.72 14.41 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.253 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.473 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 97.0 m-85 -135.35 -179.95 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.712 0.768 . . . . 0.0 110.45 -177.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 25.1 pt20 -150.81 160.51 43.82 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.162 -0.926 . . . . 0.0 108.526 176.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.602 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 61.2 t -90.17 125.19 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.081 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.9 m -125.24 157.76 33.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.491 HG13 ' HD3' ' A' ' 36' ' ' ARG . 3.9 p -136.93 136.56 47.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.442 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -98.58 -168.06 1.59 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.674 -173.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -65.79 -29.32 69.8 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.385 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -81.82 9.19 8.46 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.445 0.64 . . . . 0.0 111.031 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 59.75 27.04 16.26 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.372 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.415 ' HB3' HE21 ' A' ' 21' ' ' GLN . 8.3 tt0 -84.74 132.12 34.48 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.908 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -86.29 123.08 31.15 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.5 m -142.4 177.0 8.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.082 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.1 pt -116.57 144.91 23.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.519 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 75.0 t-105 -138.14 132.87 17.09 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.754 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 9.0 Cg_endo -51.83 138.35 51.09 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.305 2.004 . . . . 0.0 112.982 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.42 -37.83 80.67 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.905 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.677 ' HE1' HG13 ' A' ' 10' ' ' ILE . 48.2 p90 -71.17 -19.14 62.45 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.398 -176.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.754 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 97.1 mttt -89.82 153.29 20.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.25 0.548 . . . . 0.0 110.18 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -78.01 135.94 37.86 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.581 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -66.1 126.69 92.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.528 ' HB2' ' CD1' ' A' ' 35' ' ' TRP . 65.0 Cg_exo -54.32 153.14 23.21 Favored 'Trans proline' 0 C--O 1.242 0.692 0 C-N-CA 122.603 2.202 . . . . 0.0 111.938 177.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -76.87 123.24 25.96 Favored 'General case' 0 N--CA 1.435 -1.198 0 O-C-N 121.752 -0.593 . . . . 0.0 109.827 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.59 -17.58 15.9 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -173.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.528 ' CD1' ' HB2' ' A' ' 32' ' ' PRO . 30.5 m95 -108.23 155.48 20.42 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.491 ' HD3' HG13 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -144.9 156.5 44.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 172.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.83 138.38 36.22 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 123.903 0.752 . . . . 0.0 111.068 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.602 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -133.59 143.79 48.89 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 122.818 0.447 . . . . 0.0 110.077 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.5 -97.82 2.05 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.015 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -167.84 175.09 7.06 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.171 0.51 . . . . 0.0 111.177 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.6 t -113.37 157.04 22.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.882 -176.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.17 -148.71 15.04 Favored Glycine 0 C--O 1.224 -0.498 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.73 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 43' ' ' LEU . 3.7 mm? -75.28 161.92 28.89 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 122.406 -0.467 . . . . 0.0 111.024 176.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.523 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 1.7 ttmp? -54.87 -48.59 72.75 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.451 0.469 . . . . 0.0 111.719 -174.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -59.23 -29.27 67.39 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 123.519 0.512 . . . . 0.0 111.704 -176.531 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.5 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 23.5 t70 -73.74 -36.97 65.22 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-O 121.553 0.692 . . . . 0.0 110.478 179.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.8 m -70.39 -50.38 39.28 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.326 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 63.4 mt -55.99 -45.83 78.9 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 122.015 0.912 . . . . 0.0 110.85 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.63 -42.0 67.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.227 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -55.49 -47.89 75.44 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 123.901 0.75 . . . . 0.0 112.138 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.598 ' HA ' HG23 ' A' ' 54' ' ' VAL . 3.4 mp -68.94 -34.99 67.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 120.561 0.219 . . . . 0.0 111.097 -175.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.7 -43.47 97.76 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.207 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 30.0 mm-40 -44.95 -62.62 1.16 Allowed 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 118.052 -0.975 . . . . 0.0 113.6 -174.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.598 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.0 p -93.22 -31.76 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 121.718 2.054 . . . . 0.0 111.126 -2.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.644 ' O ' HG23 ' A' ' 56' ' ' THR . 72.4 m95 -75.77 -51.44 12.62 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 121.678 -0.638 . . . . 0.0 111.766 -177.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 55' ' ' TRP . 0.7 OUTLIER 175.16 48.42 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.886 -168.527 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.496 ' CG ' ' H ' ' A' ' 58' ' ' MET . 6.9 t70 175.54 -156.17 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.636 -0.665 . . . . 0.0 110.423 -174.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.496 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 68.3 mtm -122.66 -72.15 0.7 Allowed 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 176.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.405 ' HB3' ' HD2' ' A' ' 60' ' ' PRO . 99.4 mtt180 64.14 172.53 0.08 OUTLIER Pre-proline 0 N--CA 1.469 0.502 0 O-C-N 124.551 1.157 . . . . 0.0 111.324 177.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.423 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 29.9 Cg_exo -63.16 106.58 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 121.818 1.679 . . . . 0.0 111.599 172.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.0 mp -58.22 -22.02 50.25 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.0 p -58.5 -20.72 48.21 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.724 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 60' ' ' PRO . 4.5 pp -70.74 -21.11 62.57 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 121.95 -0.469 . . . . 0.0 110.298 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -76.55 -27.46 55.91 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.534 -0.466 . . . . 0.0 109.826 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -76.99 -18.98 57.86 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.242 174.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -77.25 -29.94 54.25 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 87.9 mmm -74.64 -29.51 61.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.464 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -72.13 112.4 8.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.419 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -123.14 -174.81 3.03 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -171.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 59.0 -81.7 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.823 0.849 . . . . 0.0 112.217 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.11 -9.5 58.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.233 0 CA-C-O 118.847 -0.974 . . . . 0.0 112.361 176.751 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 ttm . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 121.135 0.493 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.8 m -86.89 109.2 19.16 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.388 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -139.52 19.97 2.54 Favored 'General case' 0 C--N 1.312 -1.062 0 O-C-N 122.294 -0.253 . . . . 0.0 110.537 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.37 -42.26 90.26 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.979 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 79.3 t80 61.89 -70.1 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.967 0.907 . . . . 0.0 111.402 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -100.77 105.34 16.65 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.347 0.594 . . . . 0.0 110.578 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -118.71 2.37 11.67 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 176.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -94.97 106.94 18.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.847 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -108.18 111.81 23.99 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 tt -179.29 137.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 O-C-N 123.814 0.697 . . . . 0.0 109.869 -178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -105.51 140.49 38.53 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.169 0.509 . . . . 0.0 111.075 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -123.85 167.17 14.43 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.431 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -144.28 161.91 37.73 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.471 ' HB ' ' HB3' ' A' ' 38' ' ' ALA . 23.3 t -98.91 127.34 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.207 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 m -115.89 148.44 18.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.419 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 p -141.56 148.09 21.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.327 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.518 ' C ' ' H ' ' A' ' 19' ' ' GLU . 55.8 t30 -104.58 162.88 12.89 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -69.68 24.06 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' A' ' 17' ' ' ASN . 7.8 tp10 -112.2 -2.22 14.99 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 173.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 31.7 tt0 65.33 29.99 11.29 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.963 -177.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -96.65 111.56 23.66 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -86.44 139.7 30.66 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 121.172 0.51 . . . . 0.0 110.667 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t -141.35 168.5 19.62 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.418 HG22 ' SG ' ' A' ' 47' ' ' CYS . 36.8 pt -108.51 143.55 18.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.436 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 35.2 t-105 -150.21 141.17 14.6 Favored Pre-proline 0 C--N 1.32 -0.678 0 O-C-N 123.568 0.542 . . . . 0.0 109.705 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 31.9 Cg_exo -59.79 143.73 99.57 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.774 2.316 . . . . 0.0 111.077 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -70.74 -43.31 69.11 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.417 0.627 . . . . 0.0 110.934 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -75.01 -12.3 60.3 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 121.742 0.782 . . . . 0.0 110.894 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -92.92 136.65 33.06 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.306 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -72.5 139.47 47.64 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 121.335 -0.853 . . . . 0.0 110.367 -176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.92 141.03 97.41 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.988 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HB2' ' CD1' ' A' ' 35' ' ' TRP . 31.3 Cg_exo -57.89 141.57 96.01 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 121.922 1.748 . . . . 0.0 110.742 175.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -61.53 102.56 0.25 Allowed 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.953 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.14 -18.22 4.48 Favored Glycine 0 C--N 1.318 -0.458 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.964 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.439 ' CD1' ' HB2' ' A' ' 32' ' ' PRO . 52.9 m95 -97.17 161.38 13.84 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -131.62 151.24 51.77 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.62 128.32 35.19 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.663 0.602 . . . . 0.0 110.875 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . . . -76.42 -20.43 57.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.44 -178.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.26 -77.53 0.39 Allowed Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.961 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -59.78 112.62 1.9 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.568 0.699 . . . . 0.0 111.37 -175.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -124.28 132.0 53.55 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.629 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.97 -139.88 2.99 Favored Glycine 0 C--O 1.213 -1.169 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -177.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.656 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 4.2 mm? -79.51 177.18 9.06 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.388 177.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.62 ' HE2' HD21 ' A' ' 48' ' ' LEU . 23.5 tptm -57.86 -47.22 83.36 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.69 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.656 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.55 -30.77 69.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.805 -178.198 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.473 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 34.0 m-20 -69.52 -41.28 76.21 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.684 0.615 . . . . 0.0 110.027 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' O ' HG12 ' A' ' 51' ' ' ILE . 50.0 t -67.18 -45.58 76.53 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 123.882 0.739 . . . . 0.0 109.814 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.62 HD21 ' HE2' ' A' ' 44' ' ' LYS . 78.2 mt -56.91 -45.59 82.55 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.145 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -57.68 -47.21 82.97 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.948 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -58.32 -43.88 88.39 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.559 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.594 ' HA ' HG23 ' A' ' 54' ' ' VAL . 14.8 mm -69.88 -34.74 61.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.644 0.735 . . . . 0.0 111.138 -174.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.79 -40.33 92.2 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.452 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.507 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 8.5 mm-40 -46.98 -61.29 1.94 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -175.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.594 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.5 p -93.69 -38.79 10.06 Favored 'Isoleucine or valine' 0 C--N 1.345 0.392 0 C-N-CA 125.793 1.637 . . . . 0.0 110.855 -2.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -147.89 18.7 1.13 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 122.051 0.929 . . . . 0.0 108.741 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.2 t -50.75 112.7 0.75 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.718 1.246 . . . . 0.0 112.998 -171.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -69.2 -36.43 77.28 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 114.291 -1.322 . . . . 0.0 112.097 -172.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.9 mtp -127.62 -50.56 1.38 Allowed 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 121.836 -0.54 . . . . 0.0 112.41 -176.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -65.25 152.51 91.63 Favored Pre-proline 0 C--O 1.216 -0.707 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.341 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.9 -161.41 0.15 Allowed 'Trans proline' 0 CA--C 1.51 -0.716 0 C-N-CA 122.049 1.833 . . . . 0.0 110.135 168.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.98 0.19 7.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.232 1.015 . . . . 0.0 111.46 176.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -65.66 -8.07 18.57 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.221 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -68.24 -10.4 54.31 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 121.729 0.776 . . . . 0.0 109.87 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.71 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 1.2 tpm_? -67.78 -24.82 65.37 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.517 175.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.418 ' HG3' ' HB3' ' A' ' 70' ' ' ALA . 25.0 mm-40 65.81 101.09 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.301 1.0 . . . . 0.0 111.77 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -91.82 -69.76 0.72 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.377 0.608 . . . . 0.0 110.787 -176.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.57 2.55 50.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.368 0.604 . . . . 0.0 110.823 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -82.28 -176.88 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.626 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -120.15 108.64 14.48 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.418 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . . . -160.34 138.28 9.84 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.482 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.44 31.71 20.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.701 0.626 . . . . 0.0 111.779 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.463 0 CA-C-O 118.0 -1.444 . . . . 0.0 112.288 -179.722 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.471 0.6 0 CA-C-O 120.688 0.28 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.7 m -112.97 118.45 34.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.408 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 p -115.58 23.42 12.36 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.486 0.66 . . . . 0.0 109.406 174.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.9 -29.1 5.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.51 -173.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -72.57 -35.41 67.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.454 0.645 . . . . 0.0 109.332 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.85 120.84 9.76 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.233 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.405 ' C ' ' H ' ' A' ' 9' ' ' ASP . 30.6 ptt180 -74.75 -8.82 57.57 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.675 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 t70 75.07 -31.93 0.22 Allowed 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.165 175.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER 64.49 36.76 8.52 Favored 'General case' 0 CA--C 1.503 -0.844 0 O-C-N 124.541 1.151 . . . . 0.0 110.361 -174.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 tp -85.4 102.19 10.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.694 174.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -93.76 152.52 18.88 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -125.66 177.01 6.49 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.774 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 20.5 pt20 -139.65 142.79 36.98 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 174.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.5 HG11 ' CE2' ' A' ' 50' ' ' TYR . 58.1 t -86.55 123.74 39.92 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.83 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 -179.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 m -116.34 154.08 17.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-O 121.515 0.674 . . . . 0.0 109.313 -178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 12.5 p -122.59 137.22 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-O 121.306 0.574 . . . . 0.0 110.584 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -77.97 156.54 30.14 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -64.53 -8.38 13.69 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.447 0.641 . . . . 0.0 111.161 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -106.66 17.28 23.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.872 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 67.78 57.29 0.53 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.074 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.529 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 7.3 tp-100 -120.46 127.22 52.02 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -102.62 137.4 40.89 Favored 'General case' 0 C--N 1.311 -1.09 0 O-C-N 122.115 -0.366 . . . . 0.0 110.213 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.3 t -154.24 -177.14 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.574 HD13 ' SG ' ' A' ' 47' ' ' CYS . 28.7 pt -126.31 143.19 40.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-O 121.276 0.56 . . . . 0.0 111.058 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.447 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 52.9 t-105 -134.23 138.51 30.54 Favored Pre-proline 0 N--CA 1.441 -0.897 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 25' ' ' TRP . 1.5 Cg_endo -44.46 124.63 5.41 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.876 2.384 . . . . 0.0 111.375 176.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.31 -39.78 88.2 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 124.113 0.883 . . . . 0.0 111.113 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.64 0.68 45.86 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 123.487 0.492 . . . . 0.0 111.227 -178.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -102.22 147.03 27.14 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.62 134.87 42.02 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 59.6 mt -70.91 132.26 86.87 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.25 177.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 20.5 Cg_exo -67.71 155.46 69.93 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.537 2.158 . . . . 0.0 111.583 175.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -65.79 141.83 58.17 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.284 0.564 . . . . 0.0 110.467 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.63 -26.73 12.35 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -112.19 160.47 17.56 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -141.98 157.7 44.63 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.963 0.411 . . . . 0.0 110.139 175.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.58 136.47 38.27 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.569 -175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.01 -139.65 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.201 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.71 36.09 2.35 Favored Glycine 0 C--N 1.311 -0.825 0 C-N-CA 120.292 -0.956 . . . . 0.0 113.413 -176.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.532 ' HE3' ' HB3' ' A' ' 46' ' ' ASP . 0.8 OUTLIER -156.97 113.18 2.97 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 121.133 0.492 . . . . 0.0 109.786 178.76 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 t -111.45 147.32 35.52 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.682 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.22 174.42 36.34 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.233 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.521 HD23 ' OD2' ' A' ' 46' ' ' ASP . 2.6 pt? -78.86 -178.96 6.3 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.515 -177.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.71 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 17.7 ptpt -52.65 -36.12 56.18 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -174.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -56.05 -49.12 74.63 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.249 0.547 . . . . 0.0 110.317 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.532 ' HB3' ' HE3' ' A' ' 40' ' ' LYS . 55.2 m-20 -61.26 -33.17 73.09 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.182 177.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.574 ' SG ' HD13 ' A' ' 24' ' ' ILE . 1.1 t -71.05 -53.64 14.0 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 122.962 0.505 . . . . 0.0 109.982 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 33.1 mt -51.32 -51.38 54.88 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 124.295 0.997 . . . . 0.0 110.617 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.2 -51.49 67.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.69 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.505 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 61.7 t80 -53.81 -53.08 57.43 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.284 0.99 . . . . 0.0 112.67 -176.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.616 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -60.26 -35.9 65.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.55 -41.64 92.78 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.552 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 5.4 mm-40 -47.04 -59.48 3.1 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -175.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.616 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.1 p -94.14 -46.12 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 120.81 1.641 . . . . 0.0 110.428 -3.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 36.6 t90 -150.7 17.31 0.8 Allowed 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 p -116.69 -35.71 4.12 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.084 -1.416 . . . . 0.0 112.808 -168.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -118.17 145.64 44.79 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.937 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.427 ' O ' ' HD3' ' A' ' 60' ' ' PRO . 39.4 tpp -84.87 -6.35 59.34 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 170.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -83.27 104.11 3.42 Favored Pre-proline 0 C--N 1.317 -0.844 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 172.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 58' ' ' MET . 14.5 Cg_exo -71.02 129.65 16.59 Favored 'Trans proline' 0 CA--C 1.513 -0.526 0 C-N-CA 121.381 1.387 . . . . 0.0 111.538 -173.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 61' ' ' LEU . 4.2 mm? -88.2 -16.67 32.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.925 0.869 . . . . 0.0 108.85 174.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.4 p -79.35 -0.61 33.31 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.729 -1.123 . . . . 0.0 112.633 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 63' ' ' LEU . 4.6 pp -88.66 -10.35 48.86 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 122.119 -0.363 . . . . 0.0 110.578 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -64.1 -48.68 75.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -131.74 104.68 7.04 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 170.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -51.87 -68.39 0.17 Allowed 'General case' 0 N--CA 1.457 -0.113 0 CA-C-O 121.729 0.776 . . . . 0.0 110.691 -176.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 26.8 ttt -106.73 -54.79 2.42 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 168.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -146.84 155.01 42.01 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.098 -1.41 . . . . 0.0 108.999 175.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -109.31 90.45 3.3 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 175.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 65.67 -73.78 0.06 Allowed 'General case' 0 C--O 1.243 0.743 0 O-C-N 124.191 0.932 . . . . 0.0 110.827 -170.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -137.33 -55.31 0.7 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.805 0.812 . . . . 0.0 110.026 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.534 -1.148 . . . . 0.0 110.319 178.882 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 121.33 0.586 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.758 HG21 ' HB3' ' A' ' 9' ' ' ASP . 20.5 p -87.3 167.42 14.08 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.26 176.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p 58.08 83.08 0.12 Allowed 'General case' 0 N--CA 1.471 0.624 0 O-C-N 125.071 1.482 . . . . 0.0 112.942 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.3 t -97.17 -24.75 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-O 122.323 1.058 . . . . 0.0 108.584 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -159.02 -35.83 0.06 Allowed 'General case' 0 C--O 1.241 0.636 0 CA-C-N 114.086 -1.415 . . . . 0.0 107.497 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -84.85 -163.8 0.88 Allowed 'General case' 0 N--CA 1.437 -1.085 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.671 171.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -160.59 93.89 1.03 Allowed 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 170.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -94.03 -64.39 1.09 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.777 -174.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.758 ' HB3' HG21 ' A' ' 2' ' ' THR . 37.1 t70 -113.74 135.95 53.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.048 -173.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.3 pt -92.23 178.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.139 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.536 ' HG2' HD13 ' A' ' 43' ' ' LEU . 44.3 mt-30 -104.31 144.21 31.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.762 0.791 . . . . 0.0 111.71 -175.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -128.8 177.46 7.06 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.186 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.483 HE21 ' HA ' ' A' ' 27' ' ' GLU . 9.2 pt20 -139.43 164.16 30.59 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 175.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 61.9 t -105.26 126.47 60.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.532 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 27.4 m -115.7 143.82 24.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 p -123.1 140.28 47.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.193 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -93.75 168.15 11.19 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -69.38 -0.34 6.22 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 121.859 -0.525 . . . . 0.0 110.494 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.31 7.04 42.85 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.187 0.518 . . . . 0.0 110.352 173.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 59.72 35.26 22.21 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 123.303 0.641 . . . . 0.0 111.355 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -116.89 143.64 45.46 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.781 173.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -103.61 154.3 19.66 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.223 -173.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.1 t -154.37 174.15 15.24 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.7 pt -108.98 147.86 13.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.43 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 66.6 t-105 -144.87 131.56 9.98 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.489 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 35.9 Cg_exo -59.94 132.81 46.88 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.398 2.065 . . . . 0.0 111.546 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.483 ' HA ' HE21 ' A' ' 13' ' ' GLN . 0.0 OUTLIER -70.48 -10.5 59.34 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.144 0.497 . . . . 0.0 111.588 -173.785 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -77.6 -27.3 51.24 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.813 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.8 148.48 23.35 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.648 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.49 149.25 46.0 Favored 'General case' 0 N--CA 1.436 -1.155 0 O-C-N 121.422 -0.799 . . . . 0.0 108.969 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.417 HD11 ' HB2' ' A' ' 37' ' ' ALA . 21.9 mt -66.28 132.98 94.46 Favored Pre-proline 0 C--N 1.33 -0.263 0 O-C-N 123.59 0.556 . . . . 0.0 109.64 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.521 ' HG2' ' HD1' ' A' ' 35' ' ' TRP . 60.2 Cg_endo -72.41 31.28 0.28 Allowed 'Trans proline' 0 N--CA 1.478 0.568 0 C-N-CA 122.884 2.389 . . . . 0.0 114.479 -173.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' O ' ' A' ' 32' ' ' PRO . 56.0 tt0 76.42 -53.12 0.6 Allowed 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 170.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.38 -33.42 87.2 Favored Glycine 0 C--O 1.221 -0.701 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.395 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.532 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 63.8 m95 -96.2 163.98 12.86 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.599 ' HA ' ' HE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -129.95 147.52 51.72 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.646 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.417 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -70.25 130.43 42.01 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.274 0.559 . . . . 0.0 109.875 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -142.52 156.68 45.16 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.697 0.76 . . . . 0.0 110.769 -178.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.49 -102.27 1.37 Allowed Glycine 0 N--CA 1.434 -1.452 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.7 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -158.96 153.1 23.67 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 121.168 0.508 . . . . 0.0 111.148 -173.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 m -105.33 152.0 23.46 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.48 174.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.32 -157.96 30.64 Favored Glycine 0 C--O 1.217 -0.921 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.614 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.536 HD13 ' HG2' ' A' ' 11' ' ' GLN . 3.6 mm? -77.66 172.45 13.38 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 120.268 0.08 . . . . 0.0 110.966 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 4.5 tppp? -51.54 -54.57 26.06 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.56 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -60.95 -32.53 72.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.906 -0.134 . . . . 0.0 110.89 -175.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.56 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 16.7 t70 -69.15 -41.24 77.56 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 122.011 0.91 . . . . 0.0 110.572 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.586 ' O ' HG12 ' A' ' 51' ' ' ILE . 42.0 t -68.05 -49.59 60.45 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.891 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 43.2 mt -56.87 -40.7 76.64 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.987 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.33 -44.95 88.92 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.981 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 88.2 t80 -65.02 -39.51 93.51 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 121.798 -0.564 . . . . 0.0 111.339 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.602 ' HA ' HG23 ' A' ' 54' ' ' VAL . 18.6 mm -67.59 -34.89 70.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -175.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.21 -39.09 78.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.532 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.561 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 10.4 mm-40 -49.03 -62.38 1.56 Allowed 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -175.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.602 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.5 p -90.81 -30.77 4.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 121.948 2.158 . . . . 0.0 108.689 -3.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 19.8 t-105 -135.46 32.51 3.07 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 170.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.8 p 67.99 84.08 0.16 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.524 -176.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -125.27 -171.71 2.43 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.523 -170.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.57 28.26 3.06 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-O 121.721 0.772 . . . . 0.0 111.283 176.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 44.7 ttm180 -90.67 133.05 33.32 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 59' ' ' ARG . 14.4 Cg_exo -68.69 146.69 67.66 Favored 'Trans proline' 0 C--O 1.244 0.806 0 C-N-CA 123.236 2.624 . . . . 0.0 113.006 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.5 mt -90.63 17.23 7.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.326 0.584 . . . . 0.0 111.92 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 t -86.89 -0.49 56.6 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 121.044 0.449 . . . . 0.0 110.382 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 63' ' ' LEU . 3.0 pp -82.68 -6.21 59.26 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.37 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.435 ' O ' ' HB2' ' A' ' 65' ' ' GLN . 13.7 ptm180 -78.64 -17.85 55.38 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 121.912 -0.492 . . . . 0.0 111.351 -178.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 50.3 mt-30 70.05 130.16 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 O-C-N 124.55 1.156 . . . . 0.0 110.88 -173.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.436 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 64.2 m80 -71.04 -6.29 37.88 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.86 0.362 . . . . 0.0 111.535 -176.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -75.06 -11.25 60.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.261 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -31.77 63.78 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.394 0.616 . . . . 0.0 110.316 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 66' ' ' HIS . 21.8 ptmt -88.23 1.78 53.74 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.095 0.474 . . . . 0.0 110.371 178.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.56 16.1 27.3 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -130.12 145.89 51.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.673 0.749 . . . . 0.0 110.04 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.153 0 CA-C-O 118.531 -1.149 . . . . 0.0 111.761 -177.802 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.946 0.403 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 p -94.19 163.53 13.41 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.032 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 m -78.95 47.87 0.8 Allowed 'General case' 0 C--O 1.241 0.607 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.2 m -68.38 -29.54 44.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-O 121.587 0.708 . . . . 0.0 109.762 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -149.44 131.57 15.39 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.431 173.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -73.92 -177.78 2.99 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.057 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.475 ' HD2' ' HA ' ' A' ' 7' ' ' ARG . 14.7 tpt85 -73.6 -35.87 65.45 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.18 177.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -154.38 163.83 39.57 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.018 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.475 ' HB3' HD12 ' A' ' 43' ' ' LEU . 31.3 t0 -113.33 -169.48 1.5 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.403 ' H ' ' CG ' ' A' ' 9' ' ' ASP . 7.5 tp -70.45 137.4 24.01 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.93 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 77.0 mt-30 -105.45 139.29 40.29 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 120.504 0.192 . . . . 0.0 110.796 -173.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.567 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 85.5 m-85 -133.26 -179.4 5.48 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.86 0.838 . . . . 0.0 110.453 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 20.7 pt20 -140.98 146.96 37.99 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.038 -1.437 . . . . 0.0 107.242 170.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.544 HG11 ' CE1' ' A' ' 50' ' ' TYR . 39.9 t -89.14 122.62 40.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.8 m -114.94 149.0 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-O 120.721 0.296 . . . . 0.0 111.161 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.82 138.48 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.663 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 48.0 t30 -97.28 175.47 6.26 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -71.29 -2.52 16.51 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.542 0.526 . . . . 0.0 112.153 -171.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.613 ' HB3' HE22 ' A' ' 21' ' ' GLN . 40.4 tt0 -103.6 14.4 31.25 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 122.036 0.922 . . . . 0.0 108.998 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 13.7 pt-20 57.86 32.01 21.33 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.421 1.488 . . . . 0.0 112.338 174.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.663 ' OE1' ' HB3' ' A' ' 17' ' ' ASN . 1.5 pm0 -95.38 142.51 27.68 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 173.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.93 146.8 33.21 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.103 0.478 . . . . 0.0 111.127 -175.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 m -151.67 177.56 10.24 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.736 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.7 pt -116.97 140.62 38.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.214 0.531 . . . . 0.0 110.139 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.417 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 70.7 t-105 -135.36 134.19 21.06 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 51.9 Cg_exo -57.68 114.49 1.98 Allowed 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 122.397 2.065 . . . . 0.0 112.276 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -52.69 -27.57 18.01 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.311 1.007 . . . . 0.0 112.419 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -55.66 -42.71 75.47 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.673 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -98.97 162.68 12.95 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.151 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -87.55 137.45 32.32 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 36' ' ' ARG . 21.5 pt -61.47 155.35 59.29 Favored Pre-proline 0 C--N 1.314 -0.942 0 O-C-N 124.673 1.233 . . . . 0.0 113.047 -175.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 17.3 Cg_exo -65.85 150.79 85.56 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.42 2.08 . . . . 0.0 112.103 177.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -42.65 -46.78 5.13 Favored 'General case' 0 C--N 1.334 -0.075 0 C-N-CA 124.25 1.02 . . . . 0.0 113.156 -176.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.36 -5.11 87.46 Favored Glycine 0 C--O 1.23 -0.141 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.614 -173.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.408 ' HD1' ' HB2' ' A' ' 32' ' ' PRO . 87.7 m95 -106.44 157.19 17.82 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.077 -0.661 . . . . 0.0 111.095 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.412 ' HA ' HD12 ' A' ' 31' ' ' ILE . 34.1 ttm180 -145.39 156.67 43.91 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.67 126.75 31.01 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.146 0.498 . . . . 0.0 110.873 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.88 72.47 Favored 'General case' 0 CA--C 1.518 -0.282 0 O-C-N 121.825 -0.547 . . . . 0.0 110.318 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.7 -69.33 0.36 Allowed Glycine 0 CA--C 1.506 -0.48 0 C-N-CA 120.13 -1.033 . . . . 0.0 111.944 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.687 ' HD2' ' CD2' ' A' ' 50' ' ' TYR . 97.5 mttt -70.43 121.75 18.34 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.661 0.743 . . . . 0.0 110.583 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.6 t -113.31 143.29 44.69 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.448 175.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.44 177.15 43.37 Favored Glycine 0 C--O 1.215 -1.032 0 C-N-CA 120.276 -0.964 . . . . 0.0 111.394 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.93 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 2.5 pt? -66.42 177.14 1.59 Allowed 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.041 0.448 . . . . 0.0 111.163 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.58 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 21.9 ttmt -47.82 -54.47 12.33 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.275 0.63 . . . . 0.0 112.009 -176.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.54 -40.7 68.92 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 122.454 0.302 . . . . 0.0 111.172 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' HB2' HD23 ' A' ' 43' ' ' LEU . 14.5 t70 -65.64 -38.82 90.46 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.192 0.52 . . . . 0.0 110.198 -178.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 74.0 m -71.22 -40.42 71.11 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.169 178.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 62.5 mt -60.39 -42.55 96.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.194 0.521 . . . . 0.0 110.381 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.67 -42.26 92.48 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.991 174.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.687 ' CD2' ' HD2' ' A' ' 40' ' ' LYS . 51.5 t80 -55.84 -48.5 75.37 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 123.566 0.746 . . . . 0.0 111.686 177.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.74 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 18.3 mm -63.63 -31.29 52.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.657 0.741 . . . . 0.0 110.477 -176.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -61.6 -40.15 93.78 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.802 177.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.512 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 45.0 mm-40 -47.35 -62.18 1.55 Allowed 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -175.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.74 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.8 p -99.65 -40.56 8.7 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 O-C-N 119.637 -1.915 . . . . 0.0 110.329 -4.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -120.74 14.98 11.8 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 122.313 1.054 . . . . 0.0 108.182 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.7 t -143.66 159.49 42.38 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -109.8 111.26 22.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.078 0.466 . . . . 0.0 110.814 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.2 mmt -113.94 130.32 56.53 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.214 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.575 ' HB3' ' HD3' ' A' ' 60' ' ' PRO . 4.6 tpp180 -65.04 -49.61 66.35 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.88 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.575 ' HD3' ' HB3' ' A' ' 59' ' ' ARG . 2.5 Cg_endo -86.58 43.84 1.11 Allowed 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 121.771 1.647 . . . . 0.0 111.84 178.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.69 -58.97 5.99 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.029 -1.441 . . . . 0.0 111.376 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.5 m -70.06 -22.64 63.05 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.989 0.423 . . . . 0.0 110.666 -178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.84 -49.51 72.53 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.407 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.494 ' C ' ' HG3' ' A' ' 65' ' ' GLN . 55.2 mtp180 -85.27 -15.45 43.4 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.402 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.494 ' HG3' ' C ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER 42.07 94.07 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 122.471 1.129 . . . . 0.0 113.461 -179.073 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -60.48 -66.73 0.48 Allowed 'General case' 0 C--N 1.342 0.253 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.512 -174.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 60.8 tpp -104.88 -60.18 1.64 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.4 t70 71.43 142.08 0.05 Allowed 'General case' 0 CA--C 1.536 0.44 0 O-C-N 124.477 1.111 . . . . 0.0 112.251 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt 64.73 28.49 13.0 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.9 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 69.47 -79.17 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.307 0.643 . . . . 0.0 111.185 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 56.55 20.13 4.68 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.126 177.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.458 0 CA-C-O 118.091 -1.394 . . . . 0.0 111.59 179.857 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.3 p -96.24 107.49 19.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.758 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -129.19 -56.14 1.17 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.897 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.2 t -67.1 -49.09 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 121.401 0.62 . . . . 0.0 110.956 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -109.06 143.16 38.76 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -107.82 131.42 54.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.087 0.47 . . . . 0.0 109.955 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -90.8 -77.81 0.4 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.329 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -143.64 -169.24 3.03 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 124.269 0.981 . . . . 0.0 108.404 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -88.3 176.72 7.1 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 tp -68.15 117.5 10.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.997 0.903 . . . . 0.0 110.179 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.483 ' HG2' HD13 ' A' ' 43' ' ' LEU . 49.4 mt-30 -93.42 124.7 37.59 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 121.607 -0.683 . . . . 0.0 111.76 -173.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -119.28 160.19 22.69 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 122.2 1.0 . . . . 0.0 112.449 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 27.3 pt20 -136.49 146.86 46.75 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.54 HG21 ' HB3' ' A' ' 50' ' ' TYR . 41.5 t -84.53 125.87 40.27 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.7 m -115.17 138.93 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.6 p -119.36 138.11 51.1 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -83.09 170.46 14.78 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.028 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -74.6 2.12 10.53 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 121.279 -0.888 . . . . 0.0 109.445 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -100.41 5.29 44.27 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.124 -0.943 . . . . 0.0 108.474 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 59.17 39.2 23.2 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.551 -173.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -95.58 131.14 42.11 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -95.56 135.79 36.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.855 0.836 . . . . 0.0 111.24 -175.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 t -139.84 166.71 23.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.909 174.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.607 HG22 ' SG ' ' A' ' 47' ' ' CYS . 30.9 pt -115.33 128.57 72.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.455 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 57.0 t-105 -134.54 136.12 25.0 Favored Pre-proline 0 C--N 1.31 -1.11 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.998 -175.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.611 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 50.4 Cg_exo -55.06 139.2 79.97 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 121.639 1.56 . . . . 0.0 112.634 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -68.23 -33.98 75.39 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.624 -173.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.72 -6.11 58.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.373 -178.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.611 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 67.0 mttm -97.95 145.58 26.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 176.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -72.5 134.1 45.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.228 0.955 . . . . 0.0 109.458 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.3 mt -65.4 132.08 95.07 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.006 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.85 151.48 56.36 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.342 2.028 . . . . 0.0 112.044 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -70.12 117.82 12.17 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.736 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.81 -20.5 7.24 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -105.23 156.52 18.04 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.334 -0.433 . . . . 0.0 110.166 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' HA ' ' HD2' ' A' ' 36' ' ' ARG . 10.5 tpt180 -132.31 152.92 51.17 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.25 125.78 28.18 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.96 80.56 1.47 Allowed 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.36 -103.54 2.96 Favored Glycine 0 N--CA 1.439 -1.156 0 C-N-CA 120.541 -0.838 . . . . 0.0 114.496 166.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HG3' ' HD1' ' A' ' 50' ' ' TYR . 29.2 mtpp -77.24 122.66 25.37 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.284 0.564 . . . . 0.0 112.171 -170.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 p -130.71 128.07 40.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.492 175.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 170.32 -117.63 0.71 Allowed Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.258 -0.972 . . . . 0.0 112.141 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.483 HD13 ' HG2' ' A' ' 11' ' ' GLN . 2.1 mm? -81.06 168.66 18.4 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -57.2 -39.91 76.34 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.516 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.523 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -63.19 -30.78 71.86 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.661 -179.146 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.523 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 41.9 m-20 -66.38 -41.73 88.99 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 121.86 0.838 . . . . 0.0 110.785 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.607 ' SG ' HG22 ' A' ' 24' ' ' ILE . 42.5 t -70.41 -46.62 63.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.862 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.4 mp -56.48 -52.32 65.15 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.411 0.624 . . . . 0.0 111.981 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -52.32 -41.05 62.65 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.836 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.54 ' HB3' HG21 ' A' ' 14' ' ' VAL . 36.2 t80 -61.63 -37.41 83.86 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.682 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.744 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -71.53 -34.29 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 O-C-N 121.925 -0.484 . . . . 0.0 109.997 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.73 -42.84 99.49 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.222 0.534 . . . . 0.0 111.915 175.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 65.8 mm-40 -45.87 -61.06 1.89 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -174.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.744 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.8 p -102.98 -32.5 3.07 Favored 'Isoleucine or valine' 0 C--O 1.23 0.061 0 CA-C-N 121.715 2.052 . . . . 0.0 111.249 -4.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -39.06 -47.71 1.56 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 -171.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 p -161.35 162.74 30.92 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.472 0.177 . . . . 0.0 111.028 -169.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -72.34 158.99 34.77 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 123.738 0.649 . . . . 0.0 109.539 173.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.484 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 97.7 mmm 70.7 167.97 0.31 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.642 0.589 . . . . 0.0 110.51 -177.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 58' ' ' MET . 1.5 ptm180 39.76 68.78 1.98 Allowed Pre-proline 0 N--CA 1.471 0.617 0 C-N-CA 124.061 0.944 . . . . 0.0 112.816 -174.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -74.57 153.78 44.26 Favored 'Trans proline' 0 C--O 1.219 -0.445 0 C-N-CA 122.311 2.008 . . . . 0.0 111.689 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 pp -85.35 9.69 14.77 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.33 0.586 . . . . 0.0 109.626 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 m -63.26 -15.19 56.39 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.746 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 2.8 pp -77.33 -4.78 46.83 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.61 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -72.4 -23.86 61.16 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.63 0.728 . . . . 0.0 109.944 175.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 65.22 86.62 0.13 Allowed 'General case' 0 C--N 1.347 0.473 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.288 175.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.415 ' C ' ' H ' ' A' ' 68' ' ' ASP . 42.2 m80 -85.02 -32.81 22.72 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 57.3 ttm -78.72 38.54 0.32 Allowed 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.646 0.736 . . . . 0.0 109.762 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 66' ' ' HIS . 35.6 t70 -58.21 157.91 7.74 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.657 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 73.12 102.03 0.07 Allowed 'General case' 0 N--CA 1.47 0.539 0 O-C-N 124.219 0.949 . . . . 0.0 108.845 -170.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.21 71.19 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -165.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.1 5.38 25.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.285 0.564 . . . . 0.0 110.553 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.143 0 CA-C-O 118.656 -1.08 . . . . 0.0 110.965 -174.214 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.0 m -60.58 112.67 2.08 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.25 0.547 . . . . 0.0 110.999 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -90.71 -168.4 2.08 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.26 -25.81 21.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 121.697 -0.627 . . . . 0.0 111.373 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.5 t80 75.28 -7.31 1.8 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.296 174.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -86.02 104.75 15.92 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.15 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.561 ' H ' ' HD3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -103.54 72.04 1.11 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.984 -176.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -71.85 149.2 45.42 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.372 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.9 t70 59.06 -93.37 0.04 OUTLIER 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.474 0.71 . . . . 0.0 109.912 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.2 tt -177.69 135.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -101.01 126.21 47.67 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.529 0.681 . . . . 0.0 111.508 -175.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -120.77 179.05 4.47 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.181 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.491 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 10.3 pt20 -143.44 157.08 44.74 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 170.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.0 t -95.81 127.98 47.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.414 HG11 HG23 ' A' ' 31' ' ' ILE . 21.0 m -115.9 153.52 17.48 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 O-C-N 123.458 0.474 . . . . 0.0 109.956 176.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 p -122.86 138.16 53.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 CA-C-O 120.932 0.396 . . . . 0.0 111.168 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -92.41 172.43 8.4 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.125 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -60.44 -10.28 4.71 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.671 0.788 . . . . 0.0 112.359 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -111.13 17.9 19.9 Favored 'General case' 0 N--CA 1.442 -0.828 0 O-C-N 123.489 0.493 . . . . 0.0 111.311 -174.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 61.99 37.45 14.94 Favored 'General case' 0 C--N 1.344 0.334 0 O-C-N 124.266 0.979 . . . . 0.0 110.072 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -112.86 129.63 56.39 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.75 176.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -96.31 156.32 16.39 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.022 0.826 . . . . 0.0 111.357 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -156.94 178.59 10.18 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 124.463 1.102 . . . . 0.0 109.013 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.521 ' CG2' ' HB3' ' A' ' 47' ' ' CYS . 29.7 pt -119.77 143.31 31.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.513 0.673 . . . . 0.0 110.475 -175.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -144.05 134.71 12.22 Favored Pre-proline 0 C--N 1.309 -1.172 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.276 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.515 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 51.8 Cg_exo -54.59 132.61 52.34 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.26 1.974 . . . . 0.0 112.334 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.7 -30.08 71.09 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.483 -173.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -85.64 15.51 4.61 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -175.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.515 ' HE2' ' HG2' ' A' ' 26' ' ' PRO . 50.5 mtmt -130.04 154.88 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.083 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.39 131.54 45.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.154 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.414 HG23 HG11 ' A' ' 15' ' ' VAL . 70.1 mt -64.11 139.32 97.65 Favored Pre-proline 0 C--O 1.236 0.386 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.091 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -53.34 135.92 61.61 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.248 1.965 . . . . 0.0 112.056 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -47.28 -35.55 7.98 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.055 0.847 . . . . 0.0 112.659 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.53 -3.09 90.71 Favored Glycine 0 C--O 1.221 -0.71 0 C-N-CA 120.864 -0.684 . . . . 0.0 114.414 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 47.9 m95 -126.09 168.88 13.39 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -148.01 163.93 35.35 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.274 -0.267 . . . . 0.0 110.31 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.85 125.0 25.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 123.594 0.558 . . . . 0.0 110.761 -175.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.12 -20.82 55.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.658 0.599 . . . . 0.0 111.289 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.75 -33.14 5.06 Favored Glycine 0 C--N 1.346 1.134 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.232 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 tpmt? -87.35 123.28 32.15 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.002 0.43 . . . . 0.0 111.404 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 13' ' ' GLN . 53.1 m -124.32 153.53 41.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.267 174.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.87 -175.25 41.51 Favored Glycine 0 CA--C 1.506 -0.52 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.3 mt -66.99 176.15 2.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 117.32 0.56 . . . . 0.0 110.319 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -55.86 -42.23 75.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.25 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.529 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -60.58 -45.39 94.13 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.777 -177.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.14 -38.06 84.88 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.387 0.613 . . . . 0.0 110.138 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.521 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 16.7 m -75.54 -48.11 23.93 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.957 -176.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.77 -46.92 87.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.394 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -58.03 -37.65 74.74 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.246 176.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 47.3 t80 -57.05 -45.17 83.4 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 123.731 0.644 . . . . 0.0 111.361 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.68 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.8 mp -69.95 -33.53 55.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -177.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.57 -42.23 99.42 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.093 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 18.2 mm-40 -45.05 -62.26 1.31 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -175.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.68 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.1 p -98.49 -41.68 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 121.455 1.934 . . . . 0.0 110.504 -2.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -141.86 22.08 2.12 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.4 p -119.21 -10.08 9.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.799 -175.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.8 t70 68.98 -60.16 0.46 Allowed 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.098 0.959 . . . . 0.0 112.816 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.9 ptp -80.72 87.6 5.82 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-O 121.771 0.796 . . . . 0.0 112.69 -175.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.4 ' HD3' HH11 ' A' ' 59' ' ' ARG . 10.8 tpp180 -157.32 100.47 1.91 Allowed Pre-proline 0 C--O 1.234 0.259 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.223 174.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.438 ' HD2' HD21 ' A' ' 63' ' ' LEU . 13.1 Cg_exo -70.05 151.41 67.38 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.834 2.356 . . . . 0.0 112.253 179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.529 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 68.8 mt -82.06 -7.23 59.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.067 -178.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.8 p -62.18 -56.54 17.68 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.78 ' H ' HD23 ' A' ' 63' ' ' LEU . 1.5 pt? -70.93 -33.65 70.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.132 0.491 . . . . 0.0 110.52 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.529 ' HB3' ' HA ' ' A' ' 61' ' ' LEU . 1.9 tmt_? -58.62 -49.72 76.46 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.964 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -79.8 -20.55 45.92 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 121.464 0.65 . . . . 0.0 111.182 -177.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -71.05 -16.46 62.6 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.241 178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 25.9 mmt -68.17 -23.55 64.87 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.758 0.661 . . . . 0.0 111.046 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -85.03 138.03 32.7 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.283 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -64.78 115.52 5.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.474 0.654 . . . . 0.0 111.991 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -121.28 94.57 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.729 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -150.36 104.06 3.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.804 -178.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.262 0 CA-C-O 118.919 -0.934 . . . . 0.0 112.201 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.1 tpp . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.9 m -141.85 118.0 10.69 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.543 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 m -119.87 133.16 55.67 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.063 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -85.05 -34.87 9.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.454 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 66.56 -70.03 0.11 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.212 1.005 . . . . 0.0 112.152 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -78.44 -172.85 3.06 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.209 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -117.05 105.71 12.59 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.603 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -97.78 -147.51 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 p30 46.45 32.64 1.65 Allowed 'General case' 0 C--N 1.349 0.558 0 C-N-CA 123.93 0.892 . . . . 0.0 112.593 174.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.507 HG13 ' HE1' ' A' ' 28' ' ' TYR . 13.2 tt -70.43 -26.81 29.6 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.124 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.714 -175.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.524 ' HB2' ' HB3' ' A' ' 27' ' ' GLU . 56.3 mt-30 48.26 141.0 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 114.461 -1.245 . . . . 0.0 114.034 -172.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.558 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . 28.3 m-85 -120.77 151.8 39.12 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.975 0.893 . . . . 0.0 111.384 178.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 25.2 pt20 -136.59 151.54 49.47 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.631 -1.168 . . . . 0.0 109.205 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 22.6 t -92.87 124.73 45.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 118.347 0.521 . . . . 0.0 109.627 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.05 146.91 19.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 17' ' ' ASN . 8.8 p -132.23 144.64 36.44 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 CA-C-O 121.27 0.557 . . . . 0.0 110.511 -176.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.432 ' O ' HG22 ' A' ' 16' ' ' VAL . 61.5 t30 -92.76 159.56 15.35 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 172.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -72.51 14.74 0.23 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.715 0.769 . . . . 0.0 111.477 -175.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 17' ' ' ASN . 7.8 pt-20 -106.42 8.66 31.69 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 67.17 38.93 3.24 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.415 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -99.99 117.37 34.14 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.215 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -90.77 135.85 33.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.299 0.571 . . . . 0.0 110.726 -176.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 t -143.37 172.89 12.15 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.416 HG22 ' SG ' ' A' ' 47' ' ' CYS . 29.8 pt -115.08 145.23 21.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.537 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 43.6 t-105 -141.42 141.61 23.66 Favored Pre-proline 0 C--N 1.313 -0.997 0 C-N-CA 122.94 0.496 . . . . 0.0 110.432 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.681 ' HB2' ' HG2' ' A' ' 29' ' ' LYS . 26.0 Cg_exo -62.19 139.33 77.43 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.382 2.721 . . . . 0.0 111.916 175.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 7.6 tp10 -69.31 -41.57 76.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -176.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.507 ' HE1' HG13 ' A' ' 10' ' ' ILE . 25.9 p90 -68.36 -23.23 64.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -171.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.681 ' HG2' ' HB2' ' A' ' 26' ' ' PRO . 18.0 ptpt -98.15 156.15 16.81 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.92 146.5 46.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.613 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.1 mt -87.46 142.49 33.14 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -53.9 128.54 30.08 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.174 1.916 . . . . 0.0 110.919 169.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -71.51 -7.36 47.06 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -171.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.15 -23.49 71.26 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 173.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -102.18 166.4 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -129.68 148.4 51.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.78 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.99 139.9 38.11 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -139.73 147.9 41.54 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.184 0.516 . . . . 0.0 112.051 -176.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.483 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . 58.02 -107.27 1.02 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.444 -0.798 . . . . 0.0 114.717 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.934 ' HD2' ' HB2' ' A' ' 50' ' ' TYR . 56.3 mttm -96.7 128.85 44.05 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.479 1.133 . . . . 0.0 112.275 -170.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.0 t -126.48 110.18 13.0 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.054 168.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.38 -124.84 0.93 Allowed Glycine 0 CA--C 1.51 -0.279 0 C-N-CA 120.321 -0.943 . . . . 0.0 113.146 -176.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.23 165.87 15.3 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 124.234 0.608 . . . . 0.0 111.619 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.558 ' HA ' ' HB2' ' A' ' 12' ' ' PHE . 50.8 tttp -65.67 -53.83 35.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.209 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.511 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -64.36 -29.39 70.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.392 178.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.511 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 38.8 t70 -69.92 -38.51 76.25 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 120.8 0.333 . . . . 0.0 110.358 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.416 ' SG ' HG22 ' A' ' 24' ' ' ILE . 27.9 t -66.67 -47.39 72.63 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 121.47 0.652 . . . . 0.0 109.773 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 72.7 mt -56.75 -44.3 81.6 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.159 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.54 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.75 -42.1 67.83 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.715 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.934 ' HB2' ' HD2' ' A' ' 40' ' ' LYS . 73.5 t80 -53.21 -49.47 66.7 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.61 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 4.0 mp -65.21 -34.83 73.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.066 0.46 . . . . 0.0 110.872 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.78 -42.61 99.77 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.817 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 8.7 mm-40 -43.3 -62.21 1.12 Allowed 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.61 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.4 p -91.5 -37.15 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 121.779 2.081 . . . . 0.0 109.929 -7.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.607 ' HD1' HG13 ' A' ' 54' ' ' VAL . 62.2 m95 -117.6 15.89 14.56 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 172.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.6 p -156.51 -176.95 6.25 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 120.82 0.343 . . . . 0.0 110.627 -167.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.37 -57.61 3.41 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 170.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.0 ttm 64.01 -78.94 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.263 174.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.502 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 13.4 ptm180 -123.55 131.67 24.29 Favored Pre-proline 0 C--N 1.317 -0.84 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 59' ' ' ARG . 5.8 Cg_exo -76.03 97.73 1.14 Allowed 'Trans proline' 0 C--O 1.224 -0.215 0 C-N-CA 122.743 2.295 . . . . 0.0 113.393 -172.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 pp -90.35 10.89 23.17 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.459 0.647 . . . . 0.0 109.956 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.9 p -60.49 -51.76 68.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.482 -176.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.694 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.5 pt? -78.32 -3.7 44.32 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.998 0.428 . . . . 0.0 110.876 -178.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.547 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 1.7 mmp_? -96.3 -36.79 10.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.799 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 70.45 172.55 0.31 Allowed 'General case' 0 C--O 1.24 0.583 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.677 -172.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -80.36 -7.95 59.3 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 63.0 mtt -91.42 8.17 37.56 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.771 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.473 ' HB2' ' HB3' ' A' ' 64' ' ' ARG . 27.8 t70 -57.98 -54.38 47.63 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.955 177.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.494 ' HB3' ' NZ ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -129.64 95.02 3.88 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 174.1 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.89 141.1 32.46 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.25 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.9 76.14 3.49 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.115 0.484 . . . . 0.0 110.376 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.161 0 CA-C-O 118.093 -1.393 . . . . 0.0 112.187 -177.894 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -128.27 136.03 50.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.998 0.428 . . . . 0.0 110.294 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 t -108.46 -22.9 12.1 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.264 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.0 p -92.47 -47.86 13.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 C-N-CA 120.551 -0.46 . . . . 0.0 109.989 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.9 p90 40.69 -165.58 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.526 1.13 . . . . 0.0 113.243 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -159.02 99.75 1.53 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 7' ' ' ARG . 15.8 ptt180 -108.64 11.16 26.75 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -81.69 87.02 6.32 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.175 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -81.49 121.16 25.94 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 171.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.565 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 3.9 tp -142.82 -51.9 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.246 0.871 0 C-N-CA 120.394 -0.523 . . . . 0.0 111.094 -171.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.668 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 54.1 mt-30 85.45 112.2 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 123.855 0.862 . . . . 0.0 110.563 173.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -123.36 174.97 7.0 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.121 -1.399 . . . . 0.0 111.453 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 27.1 pt20 -139.51 150.44 45.13 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 113.547 -1.66 . . . . 0.0 107.132 169.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 61.6 t -93.06 127.98 44.83 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 O-C-N 121.485 -0.76 . . . . 0.0 109.217 -178.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.499 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 20.1 m -113.81 137.44 46.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.865 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.521 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 5.9 p -128.54 132.78 67.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.433 HD21 ' HB2' ' A' ' 19' ' ' GLU . 37.9 p-10 -92.13 -163.43 1.04 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.822 0.344 . . . . 0.0 110.596 -175.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -82.74 -10.08 59.06 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.774 -0.579 . . . . 0.0 110.291 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.433 ' HB2' HD21 ' A' ' 17' ' ' ASN . 2.3 mp0 -98.01 13.9 29.28 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.753 178.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 13.5 pt-20 53.45 32.13 13.43 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 125.498 1.519 . . . . 0.0 111.526 178.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.521 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 21.3 mt-30 -90.63 145.52 24.78 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 173.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -122.84 153.2 39.9 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-O 121.224 0.535 . . . . 0.0 112.029 -175.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.1 t -164.52 177.58 8.03 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.861 -178.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.7 pt -119.05 132.81 67.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.721 0.772 . . . . 0.0 109.514 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.463 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 69.9 t-105 -125.74 141.4 39.12 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.236 -177.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HD2' ' CD2' ' A' ' 25' ' ' TRP . 10.2 Cg_endo -55.63 130.45 40.51 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.102 1.868 . . . . 0.0 111.567 175.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -27.35 62.47 Favored 'General case' 0 N--CA 1.441 -0.884 0 O-C-N 121.128 -0.983 . . . . 0.0 111.057 -172.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -73.04 -19.47 61.18 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.35 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -100.09 152.2 20.51 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.414 0.626 . . . . 0.0 111.097 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -75.64 140.65 42.7 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.79 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.468 HD11 ' HB2' ' A' ' 37' ' ' ALA . 66.8 mt -65.72 136.23 95.83 Favored Pre-proline 0 C--N 1.317 -0.81 0 O-C-N 123.476 0.485 . . . . 0.0 110.532 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.28 138.3 82.99 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.542 2.161 . . . . 0.0 111.315 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -63.41 122.3 15.91 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 121.153 0.501 . . . . 0.0 110.127 -174.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.24 -20.9 6.98 Favored Glycine 0 C--N 1.311 -0.859 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -176.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.499 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 83.0 m95 -105.67 159.46 15.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.498 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 73.1 mtm180 -129.15 147.8 51.03 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.028 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.468 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -76.32 134.95 39.58 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.754 0.311 . . . . 0.0 110.414 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -155.16 169.29 24.48 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.073 -177.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.1 -132.14 16.38 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.246 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -125.56 130.7 52.22 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 110.741 -0.096 . . . . 0.0 110.741 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.0 m -95.3 129.6 42.37 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.652 -0.869 . . . . 0.0 108.652 174.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.668 ' O ' ' HA ' ' A' ' 11' ' ' GLN . . . 166.97 -128.84 1.8 Allowed Glycine 0 C--O 1.24 0.524 0 C-N-CA 119.958 -1.115 . . . . 0.0 112.242 -177.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.4 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? -77.52 157.06 30.58 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.882 -0.775 . . . . 0.0 110.224 -175.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.574 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 74.6 tttt -51.7 -50.27 60.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.433 0.635 . . . . 0.0 111.008 177.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.567 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -63.03 -29.56 70.91 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.691 -177.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.567 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 37.9 t0 -72.5 -43.89 63.01 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 122.714 0.406 . . . . 0.0 110.565 -176.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.569 ' O ' HG12 ' A' ' 51' ' ' ILE . 79.0 m -66.24 -40.86 90.53 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.761 176.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 85.8 mt -58.46 -42.64 87.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.891 177.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.19 75.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.382 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -63.06 -33.3 75.14 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 124.067 0.854 . . . . 0.0 111.833 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.606 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 25.2 mm -69.37 -34.66 63.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.486 0.66 . . . . 0.0 110.202 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.07 -35.26 74.77 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.965 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.903 ' HB3' ' HB ' ' A' ' 56' ' ' THR . 15.3 mm-40 -48.49 -62.57 1.43 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -173.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.606 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.2 p -99.93 -39.09 7.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.753 0 CA-C-N 121.201 1.818 . . . . 0.0 111.254 -1.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -85.79 -23.46 27.22 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 121.915 -0.491 . . . . 0.0 110.441 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.903 ' HB ' ' HB3' ' A' ' 53' ' ' GLU . 5.2 t 49.55 47.16 22.98 Favored 'General case' 0 C--O 1.238 0.462 0 O-C-N 124.591 1.182 . . . . 0.0 112.042 172.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 58' ' ' MET . 26.1 t70 -120.86 114.76 22.06 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -174.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 0.4 OUTLIER 72.35 -67.66 0.25 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.725 0.81 . . . . 0.0 110.495 -173.102 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -141.23 108.73 6.26 Favored Pre-proline 0 C--O 1.236 0.354 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.713 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.48 -179.85 4.51 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.646 2.231 . . . . 0.0 111.094 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 53' ' ' GLU . 3.4 pp -81.15 17.07 1.34 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.366 0.603 . . . . 0.0 112.523 -177.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.529 ' O ' ' HB3' ' A' ' 66' ' ' HIS . 47.8 t -60.9 -27.91 68.52 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.259 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -65.97 -37.16 85.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.528 0.68 . . . . 0.0 110.081 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 64' ' ' ARG . 45.0 ttm105 -76.53 -61.37 1.98 Allowed 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.749 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.499 ' HB3' ' HB3' ' A' ' 68' ' ' ASP . 27.6 mt-30 -100.82 80.69 2.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.61 ' CD2' ' HG3' ' A' ' 67' ' ' MET . 9.9 p-80 -99.58 -22.63 15.37 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.166 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.61 ' HG3' ' CD2' ' A' ' 66' ' ' HIS . 83.4 mtp -99.96 0.06 40.38 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.499 ' HB3' ' HB3' ' A' ' 65' ' ' GLN . 38.3 t70 -108.14 133.31 52.59 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -92.42 153.59 19.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.165 0.507 . . . . 0.0 111.337 -174.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.65 -47.29 48.75 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.653 0.739 . . . . 0.0 109.181 173.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -139.16 91.43 2.51 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.443 177.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.643 0 C-N-CA 120.036 -1.078 . . . . 0.0 111.389 -178.891 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ppp? . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 121.62 0.724 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 t -74.47 147.6 41.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.708 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 m -60.55 123.94 18.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.415 0.626 . . . . 0.0 111.501 -176.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.0 t -73.49 -41.81 56.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.09 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.599 ' CE2' ' HA ' ' A' ' 8' ' ' ASP . 27.8 t80 -128.61 84.97 2.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.411 175.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 30.2 t70 -72.45 142.21 48.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.219 -174.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 6' ' ' ASP . 68.6 ttt180 77.31 -45.08 0.46 Allowed 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.397 176.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.599 ' HA ' ' CE2' ' A' ' 5' ' ' PHE . 12.9 t70 62.07 -148.7 0.38 Allowed 'General case' 0 C--O 1.243 0.749 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -170.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.411 ' H ' ' CG ' ' A' ' 8' ' ' ASP . 24.5 t70 -155.43 -64.73 0.12 Allowed 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 173.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.2 tt 179.95 131.63 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.244 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.511 ' HG2' ' HA ' ' A' ' 43' ' ' LEU . 80.9 mt-30 -103.6 144.54 31.29 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.502 -177.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -129.66 179.65 5.71 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 122.671 1.224 . . . . 0.0 111.413 -171.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.592 ' NE2' HD11 ' A' ' 31' ' ' ILE . 16.3 pt20 -156.38 162.88 40.01 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 113.44 -1.709 . . . . 0.0 108.274 177.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.436 HG21 ' CD1' ' A' ' 50' ' ' TYR . 18.1 t -97.93 129.98 47.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.22 -175.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 15.5 m -120.89 148.25 24.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.263 0.554 . . . . 0.0 110.318 176.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 11.2 p -129.15 140.44 49.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.483 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -128.2 86.15 2.43 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 68.41 -46.94 0.54 Allowed 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 161.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.52 ' HB2' ' HG3' ' A' ' 21' ' ' GLN . 4.7 mp0 -93.03 6.73 46.91 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.918 -176.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 42.8 tt0 73.74 22.21 2.59 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -175.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.52 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 25.3 mt-30 -72.66 103.13 3.49 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.314 172.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 14.9 p90 -98.1 134.73 40.77 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 120.996 0.427 . . . . 0.0 110.759 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.6 t -143.99 179.36 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.415 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.52 HG22 ' SG ' ' A' ' 47' ' ' CYS . 41.7 pt -109.52 134.07 52.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-O 120.818 0.342 . . . . 0.0 110.834 -177.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.48 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 68.3 t-105 -129.94 138.55 33.35 Favored Pre-proline 0 C--N 1.315 -0.916 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.646 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 52.4 Cg_exo -53.84 134.0 57.05 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.458 2.105 . . . . 0.0 111.934 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.546 ' HA ' ' OE1' ' A' ' 13' ' ' GLN . 9.0 tm-20 -64.2 -31.44 72.64 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.551 -172.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -18.96 42.4 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.788 -175.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.646 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 98.3 mttt -92.76 155.17 17.85 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 121.862 0.839 . . . . 0.0 112.106 -170.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -75.57 124.32 27.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.537 -1.211 . . . . 0.0 109.749 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.592 HD11 ' NE2' ' A' ' 13' ' ' GLN . 65.5 mt -67.09 137.52 94.46 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.408 ' HB2' ' HD1' ' A' ' 35' ' ' TRP . 45.7 Cg_exo -55.62 143.54 78.76 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.163 1.909 . . . . 0.0 112.497 174.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -56.38 -23.08 35.47 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -174.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.41 -20.93 55.84 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.17 -1.014 . . . . 0.0 112.225 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.408 ' HD1' ' HB2' ' A' ' 32' ' ' PRO . 65.7 m95 -100.7 146.95 26.57 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.553 0.692 . . . . 0.0 111.154 -174.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -117.93 139.49 51.08 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.716 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.505 ' HB2' ' CD1' ' A' ' 31' ' ' ILE . . . -75.08 132.99 41.66 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 123.14 0.576 . . . . 0.0 110.513 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.421 ' O ' ' HB ' ' A' ' 14' ' ' VAL . . . -147.72 159.4 43.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.169 0.509 . . . . 0.0 110.231 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.74 -131.84 11.41 Favored Glycine 0 C--O 1.246 0.844 0 C-N-CA 121.024 -0.608 . . . . 0.0 113.374 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -129.13 155.86 44.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.367 0.603 . . . . 0.0 110.665 -177.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 13' ' ' GLN . 6.6 p -114.01 155.6 25.6 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.437 174.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.19 -151.66 21.4 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.511 ' HA ' ' HG2' ' A' ' 11' ' ' GLN . 3.5 mm? -62.73 171.6 2.01 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.156 0.503 . . . . 0.0 111.749 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.52 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 85.4 tttt -64.39 -50.62 66.95 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.994 0.426 . . . . 0.0 110.932 -177.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -29.6 70.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.844 -178.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.434 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 4.2 m-20 -62.95 -42.09 99.71 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.473 177.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.597 ' O ' HG12 ' A' ' 51' ' ' ILE . 18.8 t -75.33 -39.69 59.13 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -178.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 76.5 mt -60.48 -49.59 76.97 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 121.398 0.618 . . . . 0.0 111.165 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -53.05 -47.36 68.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.771 176.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.436 ' CD1' HG21 ' A' ' 14' ' ' VAL . 51.6 t80 -54.85 -41.73 71.13 Favored 'General case' 0 C--N 1.311 -1.105 0 O-C-N 124.29 0.994 . . . . 0.0 111.92 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.664 ' HA ' HG23 ' A' ' 54' ' ' VAL . 21.4 mm -70.66 -34.98 59.03 Favored 'Isoleucine or valine' 0 C--O 1.248 1.0 0 CA-C-O 121.14 0.495 . . . . 0.0 110.894 -174.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.37 -40.09 95.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.411 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.602 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 20.3 mm-40 -46.03 -61.9 1.56 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -175.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.664 HG23 ' HA ' ' A' ' 51' ' ' ILE . 3.8 p -88.06 -31.37 5.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 CA-C-N 121.72 2.055 . . . . 0.0 109.027 -5.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 15.0 t90 -145.79 27.25 1.21 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 122.509 1.147 . . . . 0.0 108.101 168.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 t -174.36 86.24 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.602 -174.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.84 98.58 5.63 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.92 171.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.9 tpt -130.3 -14.23 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.643 0.735 . . . . 0.0 110.119 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -127.37 124.28 23.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.21 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.49 68.86 2.09 Favored 'Trans proline' 0 C--O 1.243 0.762 0 C-N-CA 122.875 2.384 . . . . 0.0 111.405 175.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.76 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 3.6 pp -60.5 -17.49 45.71 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.112 -177.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 p -57.23 -39.58 75.83 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.854 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 pp -108.82 5.11 24.28 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.273 0.558 . . . . 0.0 110.908 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.76 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . 26.3 mmt180 -92.29 0.35 57.45 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.071 -176.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -149.64 147.82 28.56 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 123.139 0.274 . . . . 0.0 111.012 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.472 ' CB ' ' HA2' ' A' ' 72' ' ' GLY . 21.2 t60 -91.65 -53.15 4.42 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.44 ' HG2' ' H ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -107.54 -55.54 2.34 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 171.219 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.586 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 20.3 t70 178.18 98.88 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 119.609 -0.234 . . . . 0.0 111.504 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.586 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 39.4 ttmt 167.33 -86.53 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.674 0 O-C-N 123.988 0.805 . . . . 0.0 110.47 168.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.22 116.24 1.33 Allowed 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 123.289 0.636 . . . . 0.0 110.312 -173.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 70.68 -58.73 0.55 Allowed 'General case' 0 N--CA 1.466 0.357 0 O-C-N 124.422 1.076 . . . . 0.0 109.955 -168.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.472 ' HA2' ' CB ' ' A' ' 66' ' ' HIS . . . . . . . . 0 N--CA 1.439 -1.141 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 170.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.482 1.159 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.653 HG21 ' HB3' ' A' ' 6' ' ' ASP . 2.2 t -148.49 149.7 32.11 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.538 0.685 . . . . 0.0 111.783 -174.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 p -127.1 -37.24 2.09 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.751 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.545 HG11 ' HB2' ' A' ' 45' ' ' LYS . 39.7 t -116.21 -45.96 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 2' ' ' THR . 34.2 p90 -74.3 0.94 12.7 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 -167.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.653 ' HB3' HG21 ' A' ' 2' ' ' THR . 9.1 p-10 -87.71 -11.42 48.3 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.277 -0.569 . . . . 0.0 111.17 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 4' ' ' VAL . 15.7 ptt180 -103.79 150.6 23.95 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.817 0.342 . . . . 0.0 110.286 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -73.9 -65.32 0.85 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.217 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.8 t70 60.9 -79.74 0.02 OUTLIER 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.949 -177.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 tp -176.58 140.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 C-N-CA 123.258 0.623 . . . . 0.0 109.786 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.842 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 27.4 mp0 -106.71 139.67 40.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.582 0.706 . . . . 0.0 110.511 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -125.91 178.33 5.8 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.97 0.891 . . . . 0.0 111.108 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -139.82 146.65 39.66 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.361 -1.29 . . . . 0.0 107.662 169.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.569 HG11 ' CD1' ' A' ' 50' ' ' TYR . 24.7 t -90.1 126.45 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 C-N-CA 119.322 -0.951 . . . . 0.0 108.787 -178.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.462 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 16.9 m -114.81 149.34 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-O 121.184 0.516 . . . . 0.0 110.62 178.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p -117.26 133.25 64.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.67 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.407 ' HB2' ' CZ3' ' A' ' 35' ' ' TRP . 23.8 t-20 -78.11 165.41 24.01 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -70.68 -1.41 11.23 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.455 0.645 . . . . 0.0 110.685 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.98 13.73 32.97 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.391 175.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 59.88 28.25 17.72 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.711 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.443 HE21 ' HB3' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -104.42 126.71 51.75 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -178.777 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -93.79 149.79 20.94 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.622 0.248 . . . . 0.0 111.474 -170.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -152.71 176.24 11.98 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.6 pt -113.72 140.14 35.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -135.86 127.3 17.22 Favored Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.55 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 44.5 Cg_exo -55.84 128.15 29.09 Favored 'Trans proline' 0 CA--C 1.512 -0.614 0 C-N-CA 122.435 2.09 . . . . 0.0 110.835 178.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.18 -36.59 80.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.742 0.306 . . . . 0.0 111.516 -168.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -66.43 -15.52 63.39 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HE2' ' HG2' ' A' ' 26' ' ' PRO . 47.3 mtmt -96.49 149.3 21.9 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.203 0.525 . . . . 0.0 111.108 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -74.33 136.63 42.55 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.119 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.443 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 34.8 pt -80.07 146.83 64.07 Favored Pre-proline 0 C--O 1.243 0.719 0 O-C-N 122.002 -0.436 . . . . 0.0 110.215 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 7.3 Cg_exo -73.42 154.41 50.66 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 123.006 2.471 . . . . 0.0 111.376 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 7.0 tp60 -64.71 117.96 8.22 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.788 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.04 -18.6 5.87 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.024 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.462 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 76.3 m95 -103.53 145.57 29.83 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 10.6 mmt180 -125.07 143.23 51.02 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.56 129.38 39.53 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 121.398 0.618 . . . . 0.0 111.385 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . . . -80.08 -153.72 0.09 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.464 178.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.21 13.53 57.16 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.172 -1.013 . . . . 0.0 114.036 -170.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.513 ' HD2' ' HD2' ' A' ' 50' ' ' TYR . 57.6 mttm -148.8 123.87 10.08 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 177.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.5 m -119.31 136.85 54.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.284 170.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.96 -165.27 37.54 Favored Glycine 0 C--N 1.317 -0.519 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.842 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 1.7 pt? -77.53 178.92 6.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 118.085 0.942 . . . . 0.0 110.213 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' A' ' 44' ' ' LYS . 26.3 ttmt -46.13 -38.87 8.7 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.583 0.753 . . . . 0.0 112.702 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.579 ' H ' ' HG ' ' A' ' 43' ' ' LEU . 58.7 tptt -61.39 -50.05 74.41 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.21 -177.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -72.73 -34.26 66.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.857 0.837 . . . . 0.0 111.042 -176.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 37.5 t -70.06 -46.64 64.54 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.659 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 tp -58.14 -46.36 85.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.966 176.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.66 -40.9 66.28 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.04 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.569 ' CD1' HG11 ' A' ' 14' ' ' VAL . 46.6 t80 -56.58 -39.85 74.23 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -177.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.668 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.8 mp -65.1 -35.54 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-O 121.412 0.625 . . . . 0.0 110.671 -178.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.11 -45.44 87.27 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.746 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.624 ' HA ' ' HD3' ' A' ' 59' ' ' ARG . 5.6 mm-40 -47.4 -60.96 2.15 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.749 1.281 . . . . 0.0 114.148 -171.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.668 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.7 p -94.0 -35.73 6.59 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 CA-C-N 121.758 2.072 . . . . 0.0 109.566 -3.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.568 ' HA ' ' HE3' ' A' ' 55' ' ' TRP . 0.8 OUTLIER -153.03 20.61 0.58 Allowed 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.726 0.774 . . . . 0.0 109.016 176.705 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 3.8 t -169.0 81.14 0.13 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.434 -173.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 56' ' ' THR . 30.3 t70 158.47 137.64 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.099 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.4 mtm -87.03 97.74 10.89 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.624 ' HD3' ' HA ' ' A' ' 53' ' ' GLU . 13.8 ptm180 -149.51 40.76 0.22 Allowed Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -175.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.609 ' HD3' ' N ' ' A' ' 59' ' ' ARG . 27.5 Cg_exo -62.0 117.26 4.09 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 121.148 1.232 . . . . 0.0 110.694 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.3 -22.98 33.76 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -173.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 m -67.25 -28.25 67.88 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.951 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.596 HD11 ' HD2' ' A' ' 60' ' ' PRO . 3.9 pp -123.26 9.87 9.23 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.743 0.306 . . . . 0.0 110.619 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -94.37 0.59 55.6 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.308 -177.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -53.8 103.54 0.08 Allowed 'General case' 0 C--N 1.338 0.067 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.045 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -99.41 -12.17 20.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.946 0.403 . . . . 0.0 110.868 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.64 -25.47 38.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.204 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 3.8 p-10 -157.49 160.19 38.02 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 174.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 29.5 mmmt 69.79 14.87 8.04 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.747 0.654 . . . . 0.0 110.978 -175.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -116.99 -12.42 10.68 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.96 128.25 55.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.195 0.521 . . . . 0.0 110.629 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.129 0 CA-C-O 118.928 -0.929 . . . . 0.0 112.377 -179.727 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.406 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 49.8 ttm . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 120.69 0.281 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.4 p -72.16 146.15 47.61 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.437 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 t -85.59 68.13 10.32 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -177.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.1 m -91.47 -19.2 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.767 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.434 ' CE1' ' HE3' ' A' ' 45' ' ' LYS . 18.3 t80 65.77 173.37 0.23 Allowed 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.022 0.826 . . . . 0.0 110.017 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 5' ' ' PHE . 4.1 t70 74.42 -50.36 0.68 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 122.987 0.515 . . . . 0.0 112.316 174.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -119.27 138.98 52.64 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.521 ' HB3' HD12 ' A' ' 43' ' ' LEU . 2.9 t0 -152.56 -168.67 3.12 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 176.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -159.22 -44.34 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.586 0.231 . . . . 0.0 110.632 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tt -92.46 142.07 13.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.493 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -102.21 138.65 38.87 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.968 0.414 . . . . 0.0 110.506 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.449 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 96.5 m-85 -124.95 177.38 6.08 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.795 0.807 . . . . 0.0 111.298 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.521 ' NE2' ' HA ' ' A' ' 27' ' ' GLU . 27.4 pt20 -147.48 157.28 43.51 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 173.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.576 ' HB ' ' HA3' ' A' ' 39' ' ' GLY . 58.6 t -97.59 125.94 50.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.742 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.43 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 28.0 m -117.02 156.07 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p -122.54 135.84 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-O 121.303 0.573 . . . . 0.0 110.77 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 35' ' ' TRP . 20.2 t-20 -85.19 173.27 10.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.587 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -68.4 -10.03 52.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.038 0.447 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -90.15 3.88 52.1 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 61.17 36.98 17.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.339 -1.301 . . . . 0.0 110.73 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -107.1 138.15 43.81 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 121.427 0.632 . . . . 0.0 109.371 176.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -92.48 139.72 30.3 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 122.167 0.984 . . . . 0.0 111.882 -174.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -139.32 171.54 14.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.113 -1.403 . . . . 0.0 107.996 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.0 pt -117.82 143.99 26.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.158 0.504 . . . . 0.0 110.963 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.428 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 63.3 t-105 -142.89 139.85 17.46 Favored Pre-proline 0 C--N 1.3 -1.576 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.237 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.88 125.87 20.52 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.343 2.029 . . . . 0.0 110.36 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.521 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 6.3 pt-20 -68.24 -27.03 66.0 Favored 'General case' 0 C--O 1.243 0.735 0 O-C-N 123.648 0.592 . . . . 0.0 111.798 -169.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -81.32 -12.77 58.95 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 122.828 0.451 . . . . 0.0 111.45 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -97.51 158.95 15.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.28 129.92 36.52 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.373 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.401 ' CG2' ' HB2' ' A' ' 35' ' ' TRP . 75.8 mt -71.47 127.99 90.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.172 177.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.08 157.25 35.3 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.399 2.066 . . . . 0.0 112.295 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -72.57 110.08 6.69 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.967 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.52 -16.86 3.33 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.397 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.517 ' CZ3' ' HB2' ' A' ' 17' ' ' ASN . 84.3 m95 -107.21 140.6 39.83 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.431 -0.452 . . . . 0.0 110.649 177.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 36' ' ' ARG . 7.8 tpp180 -110.47 136.81 49.03 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.03 118.66 13.16 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -167.24 91.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.923 0.868 . . . . 0.0 111.579 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.576 ' HA3' ' HB ' ' A' ' 14' ' ' VAL . . . 164.96 -121.45 1.01 Allowed Glycine 0 CA--C 1.522 0.527 0 C-N-CA 119.117 -1.516 . . . . 0.0 112.327 175.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -129.32 137.86 51.25 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 114.806 -0.697 . . . . 0.0 109.542 -175.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -109.32 140.37 43.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.993 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.33 -141.17 8.11 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 119.699 -1.239 . . . . 0.0 111.422 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.521 HD12 ' HB3' ' A' ' 8' ' ' ASP . 2.7 mm? -79.41 175.29 10.74 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.437 -0.382 . . . . 0.0 110.856 -177.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.64 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 55.6 tptt -56.12 -47.5 77.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.893 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.6 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -60.01 -32.78 71.2 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.452 -179.64 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.6 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 45.7 m-20 -69.63 -38.09 77.06 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 64.0 m -71.81 -44.72 63.46 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 124.178 0.924 . . . . 0.0 110.214 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 77.7 mt -55.14 -49.91 70.61 Favored 'General case' 0 C--O 1.242 0.676 0 O-C-N 124.033 0.833 . . . . 0.0 110.741 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.668 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -54.49 -47.41 73.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.254 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 89.8 t80 -53.82 -50.15 66.8 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 123.511 0.507 . . . . 0.0 112.288 -176.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.68 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 2.1 mp -64.33 -34.12 67.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.364 0.602 . . . . 0.0 110.849 -177.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -71.32 -31.44 67.41 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 121.488 -0.758 . . . . 0.0 112.594 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.668 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 5.2 mm-40 -44.5 -62.11 1.3 Allowed 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 118.731 -0.652 . . . . 0.0 112.628 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.68 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.8 p -97.23 -39.82 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-N 120.535 1.516 . . . . 0.0 111.104 -4.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.413 ' CD1' HG13 ' A' ' 54' ' ' VAL . 92.2 m95 -76.97 79.35 3.52 Favored 'General case' 0 N--CA 1.445 -0.717 0 O-C-N 121.971 -0.456 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.4 p 56.68 -81.77 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.484 1.114 . . . . 0.0 113.311 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.71 -175.33 0.1 Allowed 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 123.03 0.532 . . . . 0.0 111.905 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.6 tpt -142.38 65.64 1.35 Allowed 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 122.036 0.922 . . . . 0.0 109.003 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 4.1 ptp180 -147.09 88.93 5.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.905 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.788 ' HG2' ' HB2' ' A' ' 63' ' ' LEU . 18.6 Cg_endo -60.38 151.75 72.16 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 121.732 1.621 . . . . 0.0 112.132 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.97 -36.34 76.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.047 0.451 . . . . 0.0 111.019 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.429 ' CB ' ' HB3' ' A' ' 70' ' ' ALA . 7.8 m -78.32 -1.93 35.58 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.001 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.788 ' HB2' ' HG2' ' A' ' 60' ' ' PRO . 41.4 tp -84.13 -34.05 24.17 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.705 0.764 . . . . 0.0 109.378 175.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -88.09 -43.94 11.31 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -82.51 98.46 8.95 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.453 0.644 . . . . 0.0 109.526 176.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -80.09 -18.19 50.63 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.655 -178.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.438 ' HA ' ' CE ' ' A' ' 67' ' ' MET . 22.3 mmt -83.59 -18.58 37.75 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.538 0.685 . . . . 0.0 109.612 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -86.9 94.28 9.54 Favored 'General case' 0 CA--C 1.502 -0.893 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 170.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -67.4 99.67 0.76 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.714 -169.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.429 ' HB3' ' CB ' ' A' ' 62' ' ' SER . . . -171.13 21.01 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.266 0.555 . . . . 0.0 111.162 176.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.66 139.66 45.58 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.013 0.435 . . . . 0.0 110.119 -178.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.582 0 C-N-CA 120.248 -0.977 . . . . 0.0 111.246 -176.14 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.792 0.33 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.565 HG23 ' CB ' ' A' ' 6' ' ' ASP . 86.1 m -64.85 95.2 0.15 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.24 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 m -163.43 -48.17 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 121.002 0.43 . . . . 0.0 110.479 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.0 t -83.46 -55.31 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-O 121.379 0.609 . . . . 0.0 111.302 -172.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -147.69 68.63 1.12 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.832 0.825 . . . . 0.0 110.72 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.565 ' CB ' HG23 ' A' ' 2' ' ' THR . 0.7 OUTLIER -117.29 0.33 12.21 Favored 'General case' 0 CA--C 1.502 -0.897 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.11 172.46 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 7' ' ' ARG . 59.2 mtt85 -84.32 158.64 21.11 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.079 178.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.6 t70 67.73 23.64 8.57 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 124.24 0.962 . . . . 0.0 110.63 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -80.61 46.48 0.87 Allowed 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.448 0.642 . . . . 0.0 109.542 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.83 HG13 ' HE2' ' A' ' 28' ' ' TYR . 4.4 tt -82.92 144.27 10.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.031 -175.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -95.62 129.08 42.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -113.03 159.35 19.25 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.034 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' NE2' HD11 ' A' ' 31' ' ' ILE . 20.4 pt20 -134.85 147.82 49.99 Favored 'General case' 0 N--CA 1.435 -1.213 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.2 t -91.25 125.41 43.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 m -113.57 145.29 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' ' 20' ' ' GLU . 7.6 p -136.42 140.83 42.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -178.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.582 ' OD1' ' HG2' ' A' ' 21' ' ' GLN . 34.1 p-10 -92.9 -170.38 2.42 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -81.2 7.61 10.83 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.734 0.778 . . . . 0.0 111.374 -176.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -112.6 7.77 18.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.538 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 27.4 tt0 58.88 43.97 17.37 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.888 177.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.582 ' HG2' ' OD1' ' A' ' 17' ' ' ASN . 11.4 pt20 -107.71 143.84 35.66 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 171.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -112.77 143.26 44.3 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -168.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.5 m -154.11 174.76 14.28 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 174.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.3 pt -120.84 146.45 25.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.248 0.547 . . . . 0.0 110.304 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 46.1 t-105 -137.0 138.53 26.03 Favored Pre-proline 0 C--N 1.315 -0.902 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -176.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.513 ' HB3' HD11 ' A' ' 10' ' ' ILE . 33.4 Cg_exo -61.26 130.78 33.52 Favored 'Trans proline' 0 C--O 1.223 -0.232 0 C-N-CA 122.128 1.885 . . . . 0.0 111.344 176.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.24 -23.96 67.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.028 0.83 . . . . 0.0 111.697 -172.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.83 ' HE2' HG13 ' A' ' 10' ' ' ILE . 25.3 m-85 -67.13 -26.68 66.8 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.947 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -100.55 146.63 26.86 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.99 0.424 . . . . 0.0 111.364 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -71.27 139.25 49.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.934 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.455 HD11 ' NE2' ' A' ' 13' ' ' GLN . 41.3 mt -68.88 137.45 90.03 Favored Pre-proline 0 C--O 1.237 0.422 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.726 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -58.51 141.7 97.49 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.599 2.199 . . . . 0.0 110.792 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -67.91 114.27 6.33 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.75 -24.05 2.76 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -108.21 161.25 15.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.954 -0.623 . . . . 0.0 109.718 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 36' ' ' ARG . 17.9 ttp85 -134.55 146.05 49.29 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.08 135.47 44.81 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.486 -178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.21 12.25 22.92 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.672 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.18 -6.46 71.66 Favored Glycine 0 N--CA 1.462 0.386 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.348 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -106.52 110.65 22.92 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.027 0.441 . . . . 0.0 111.726 -174.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.4 t -124.16 148.32 47.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.959 174.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.83 -163.75 37.4 Favored Glycine 0 C--N 1.312 -0.786 0 C-N-CA 121.209 -0.519 . . . . 0.0 112.232 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 43' ' ' LEU . 4.5 mm? -72.59 174.31 7.69 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.895 0.379 . . . . 0.0 110.765 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.604 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 21.7 ttmm -59.49 -53.34 59.2 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.352 -177.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.592 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -56.87 -33.17 66.59 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.901 -177.23 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.592 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 1.9 t70 -70.79 -39.67 73.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.594 -175.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.627 ' O ' HG12 ' A' ' 51' ' ' ILE . 66.5 m -73.75 -42.33 61.24 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.478 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 88.2 mt -57.97 -47.6 82.47 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.435 178.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.25 -40.26 77.26 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 124.023 0.827 . . . . 0.0 110.946 176.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -65.11 -38.89 92.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.381 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.627 HG12 ' O ' ' A' ' 47' ' ' CYS . 22.8 mm -71.32 -34.35 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 121.162 0.506 . . . . 0.0 109.846 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.16 -37.01 78.87 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 123.243 0.617 . . . . 0.0 111.681 175.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.622 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 75.1 mm-40 -44.65 -61.13 1.68 Allowed 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -176.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.622 ' C ' ' HB2' ' A' ' 53' ' ' GLU . 2.7 p -89.99 -34.03 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 119.279 -2.138 . . . . 0.0 108.782 -2.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -165.19 14.83 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 167.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.5 t 165.13 -160.87 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 113.668 -1.605 . . . . 0.0 108.417 -163.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 t70 75.13 -68.28 0.22 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.46 0.704 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.1 ptp -106.86 92.09 3.94 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.64 ' HB3' ' HD3' ' A' ' 60' ' ' PRO . 33.9 ttm180 -66.5 -43.58 52.67 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.685 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.64 ' HD3' ' HB3' ' A' ' 59' ' ' ARG . 3.7 Cg_exo -79.06 105.79 1.98 Allowed 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 123.099 2.533 . . . . 0.0 110.584 167.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.1 tp -66.94 -19.8 65.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.423 -177.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.3 t -69.8 -2.1 11.15 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 123.611 0.569 . . . . 0.0 110.949 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.9 tp -65.59 -48.71 71.41 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 120.59 0.233 . . . . 0.0 111.459 178.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -82.92 -12.22 57.54 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.48 ' HG2' ' HB2' ' A' ' 68' ' ' ASP . 24.8 tt0 -85.04 82.77 8.3 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -80.67 -27.6 37.05 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.353 -170.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 93.3 mtp -73.67 -40.28 63.8 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.48 ' HB2' ' HG2' ' A' ' 65' ' ' GLN . 17.6 m-20 -88.6 108.05 19.23 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.152 0.501 . . . . 0.0 111.205 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -121.65 105.05 10.07 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.357 175.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.69 110.4 1.29 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.755 -173.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.94 -30.16 8.24 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 122.128 0.965 . . . . 0.0 108.843 171.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.582 0 CA-C-O 117.905 -1.497 . . . . 0.0 111.409 177.047 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.434 ' CE ' ' HB3' ' A' ' 48' ' ' LEU . 41.4 ttp . . . . . 0 N--CA 1.471 0.577 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.6 m -108.88 114.28 27.91 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 120.727 0.299 . . . . 0.0 110.764 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.661 ' HB2' ' HB2' ' A' ' 45' ' ' LYS . 25.1 p -86.41 91.01 8.38 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.106 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.493 ' O ' ' HB3' ' A' ' 5' ' ' PHE . 24.9 t -92.73 -24.91 5.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.493 ' HB3' ' O ' ' A' ' 4' ' ' VAL . 65.0 t80 73.58 113.73 0.06 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.194 0.598 . . . . 0.0 109.727 -170.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -74.42 -79.96 0.08 Allowed 'General case' 0 C--N 1.321 -0.67 0 O-C-N 123.613 0.571 . . . . 0.0 111.349 -172.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -158.69 -28.14 0.07 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.778 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.473 ' OD2' ' HB ' ' A' ' 10' ' ' ILE . 34.5 t70 -92.32 136.85 32.86 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.161 -0.337 . . . . 0.0 111.076 -173.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -78.14 49.21 0.79 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 122.163 0.982 . . . . 0.0 110.437 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.473 ' HB ' ' OD2' ' A' ' 8' ' ' ASP . 8.7 tp -84.69 124.04 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 O-C-N 121.615 -0.678 . . . . 0.0 110.502 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.44 ' HG2' HD13 ' A' ' 43' ' ' LEU . 48.8 mt-30 -104.53 133.15 49.88 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.164 -178.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -124.41 164.24 20.08 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 122.61 1.195 . . . . 0.0 111.687 -176.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -139.76 148.71 42.64 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.278 -1.328 . . . . 0.0 108.262 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -90.22 121.82 40.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.5 m -115.41 147.91 18.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-O 121.634 0.731 . . . . 0.0 110.702 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 20' ' ' GLU . 14.2 p -130.88 137.38 56.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.122 179.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -84.81 175.78 8.93 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.419 ' CE1' ' HA2' ' A' ' 34' ' ' GLY . 40.2 m80 -70.83 -4.29 23.36 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 177.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -96.26 7.7 45.77 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.449 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 47.1 mt-10 55.61 29.18 13.1 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.925 178.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -94.72 138.58 32.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.686 171.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -98.87 151.16 21.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.243 0.544 . . . . 0.0 110.637 -173.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.8 m -154.76 171.76 19.06 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.493 -1.23 . . . . 0.0 109.76 172.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.1 pt -113.0 128.53 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 O-C-N 121.677 -0.639 . . . . 0.0 110.603 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -128.98 135.85 28.27 Favored Pre-proline 0 N--CA 1.445 -0.678 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.049 -175.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -57.95 136.51 75.6 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 121.92 1.747 . . . . 0.0 111.129 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.56 -45.4 90.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.065 0.46 . . . . 0.0 111.288 -172.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -69.1 -17.72 63.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.464 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HE2' ' HB2' ' A' ' 29' ' ' LYS . 23.0 ttmm -86.33 142.4 28.52 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.921 -177.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -80.41 130.77 35.38 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 25.7 pt -83.12 144.69 47.64 Favored Pre-proline 0 C--O 1.241 0.611 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.547 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 31' ' ' ILE . 13.2 Cg_exo -67.59 155.35 70.49 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.149 1.9 . . . . 0.0 110.732 174.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -74.4 124.94 27.45 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.443 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.419 ' HA2' ' CE1' ' A' ' 18' ' ' HIS . . . 131.18 -26.76 3.9 Favored Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -173.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -102.53 150.21 23.62 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.144 -0.528 . . . . 0.0 109.598 176.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -141.88 161.81 37.04 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 123.347 0.404 . . . . 0.0 110.413 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.19 114.24 6.51 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 123.472 0.482 . . . . 0.0 110.384 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.27 -54.56 14.03 Favored 'General case' 0 C--O 1.205 -1.238 0 C-N-CA 122.781 0.433 . . . . 0.0 111.259 -176.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.66 -99.6 0.18 Allowed Glycine 0 C--O 1.24 0.496 0 C-N-CA 119.634 -1.27 . . . . 0.0 112.97 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -101.4 147.09 26.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.027 0.442 . . . . 0.0 110.928 -172.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 p -131.62 154.01 49.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.306 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.94 -127.35 1.47 Allowed Glycine 0 C--O 1.225 -0.458 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.734 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.597 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 4.3 mm? -80.03 175.46 10.61 Favored 'General case' 0 C--O 1.247 0.943 0 CA-C-O 120.538 0.209 . . . . 0.0 110.701 177.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.65 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 84.2 tttt -56.99 -45.62 82.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.022 0.439 . . . . 0.0 111.024 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.661 ' HB2' ' HB2' ' A' ' 3' ' ' SER . 0.0 OUTLIER -59.3 -31.25 68.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.993 178.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 10.7 t70 -66.39 -48.98 68.39 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.759 -177.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.0 p -70.71 -35.94 72.99 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 121.484 0.659 . . . . 0.0 110.772 -176.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 77.1 mt -57.54 -49.69 75.53 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.618 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -57.18 -40.49 77.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.888 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.423 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 60.7 t80 -59.02 -40.65 85.62 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.421 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.608 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -67.54 -34.88 71.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.861 0.362 . . . . 0.0 110.235 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.98 -33.02 74.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.08 177.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.535 ' HB2' ' CA ' ' A' ' 54' ' ' VAL . 5.7 mm-40 -46.76 -61.54 1.8 Allowed 'General case' 0 CA--C 1.543 0.686 0 O-C-N 124.493 1.121 . . . . 0.0 112.775 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.608 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 2.4 p -93.26 -40.93 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 121.51 1.959 . . . . 0.0 108.706 -7.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -134.7 14.92 3.67 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 172.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -129.4 36.93 4.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 113.324 -1.762 . . . . 0.0 106.64 -176.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -48.69 141.69 6.95 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 113.604 -1.635 . . . . 0.0 112.825 -171.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.86 ' HG3' ' HD2' ' A' ' 60' ' ' PRO . 13.6 tpt -168.47 126.98 1.13 Allowed 'General case' 0 C--O 1.24 0.593 0 CA-C-N 113.31 -1.768 . . . . 0.0 108.222 177.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.67 ' HB3' ' HD3' ' A' ' 60' ' ' PRO . 19.0 tpp180 -57.99 -46.83 99.67 Favored Pre-proline 0 N--CA 1.451 -0.413 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -176.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.86 ' HD2' ' HG3' ' A' ' 58' ' ' MET . 37.3 Cg_exo -64.45 94.47 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.381 2.054 . . . . 0.0 110.83 168.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 61' ' ' LEU . 40.5 mt -82.8 -29.14 29.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.568 -174.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.7 m -72.05 -30.42 65.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.393 0.616 . . . . 0.0 109.878 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 48.7 tp -69.25 -35.73 76.42 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 173.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.1 tpt85 -79.45 -33.13 42.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.923 0.392 . . . . 0.0 110.662 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 70.12 122.21 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.411 1.085 . . . . 0.0 113.409 177.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -98.86 -0.18 42.94 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.606 -1.179 . . . . 0.0 108.773 172.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 58.2 ttp -77.09 -23.26 51.89 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.758 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -70.31 -69.84 0.33 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.084 0.468 . . . . 0.0 112.134 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -135.22 -50.57 0.75 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.715 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.12 116.75 17.12 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 121.364 0.602 . . . . 0.0 111.415 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.07 139.72 58.02 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.062 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.973 0 CA-C-O 119.018 -0.879 . . . . 0.0 111.475 -179.68 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 121.129 0.49 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m -75.5 145.89 41.02 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 m -68.74 90.41 0.41 Allowed 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.583 0.706 . . . . 0.0 110.129 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 5' ' ' PHE . 12.4 p -74.42 -13.99 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 123.333 0.653 . . . . 0.0 109.648 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' A' ' 4' ' ' VAL . 72.5 t80 72.69 106.7 0.07 Allowed 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.513 1.133 . . . . 0.0 110.735 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 3.2 m-20 -78.72 133.62 37.14 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 174.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -75.52 -43.16 50.32 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.256 0.551 . . . . 0.0 112.06 -174.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -97.66 -33.68 11.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.47 -177.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.461 ' OD2' ' HB3' ' A' ' 43' ' ' LEU . 7.2 t70 -88.55 102.38 14.88 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -178.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.5 pt -91.39 -160.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.362 -176.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.428 HE21 HD13 ' A' ' 43' ' ' LEU . 2.7 mp0 -99.5 124.89 45.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.278 0.561 . . . . 0.0 110.878 -174.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.529 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . 7.5 m-85 -131.48 -178.94 5.08 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 122.257 1.027 . . . . 0.0 111.131 -176.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -156.24 161.5 40.25 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.6 t -98.78 133.92 39.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 O-C-N 123.557 0.535 . . . . 0.0 110.068 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 17.0 m -115.66 142.18 29.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 O-C-N 123.773 0.671 . . . . 0.0 110.167 177.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.483 ' HB ' ' HB2' ' A' ' 38' ' ' ALA . 14.5 p -113.83 136.2 51.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.691 0.757 . . . . 0.0 111.796 -174.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB3' ' H ' ' A' ' 21' ' ' GLN . 26.6 t-20 -82.1 164.96 20.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.204 177.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -68.63 -3.91 13.6 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.859 0.838 . . . . 0.0 111.983 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.463 ' HB2' HE22 ' A' ' 21' ' ' GLN . 45.0 mt-10 -114.44 17.04 17.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.613 176.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 57.9 49.31 12.12 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.962 1.305 . . . . 0.0 112.398 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.463 HE22 ' HB2' ' A' ' 19' ' ' GLU . 1.1 mp0 -91.71 140.59 29.56 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 167.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -108.75 121.9 46.02 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -177.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.6 m -128.48 163.88 23.96 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.2 pt -108.81 139.67 30.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 C-N-CA 120.376 -0.53 . . . . 0.0 109.999 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -142.22 132.94 12.77 Favored Pre-proline 0 N--CA 1.445 -0.695 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.51 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -55.11 126.74 23.58 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.771 2.314 . . . . 0.0 112.402 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -5.4 32.02 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.257 0.551 . . . . 0.0 111.908 -174.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -72.35 -38.41 68.58 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.14 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -100.47 166.26 11.03 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 123.824 0.703 . . . . 0.0 110.507 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -73.51 143.51 46.53 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.472 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.495 HG23 HG11 ' A' ' 15' ' ' VAL . 66.8 mt -61.13 135.6 93.49 Favored Pre-proline 0 C--O 1.239 0.516 0 C-N-CA 122.788 0.435 . . . . 0.0 110.621 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.3 135.81 46.47 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.875 2.383 . . . . 0.0 111.15 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -62.55 121.12 12.52 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.678 0.751 . . . . 0.0 111.272 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.91 -15.63 18.85 Favored Glycine 0 C--O 1.227 -0.318 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.26 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.504 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 50.9 m95 -105.81 164.13 12.18 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 123.852 0.383 . . . . 0.0 110.884 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 94.4 mtt180 -139.36 155.8 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.229 0.331 . . . . 0.0 110.212 177.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.93 126.39 29.55 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.726 0.298 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HB2' ' HB ' ' A' ' 16' ' ' VAL . . . -118.4 132.24 56.26 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.582 -176.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.2 -91.99 1.04 Allowed Glycine 0 C--N 1.309 -0.951 0 O-C-N 123.984 0.803 . . . . 0.0 113.792 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -151.55 167.91 26.57 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.655 0.74 . . . . 0.0 111.63 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -125.98 159.72 31.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.412 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.47 -137.21 5.47 Favored Glycine 0 CA--C 1.498 -1.021 0 CA-C-O 119.635 -0.536 . . . . 0.0 111.775 -178.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.461 ' HB3' ' OD2' ' A' ' 9' ' ' ASP . 3.9 mm? -67.35 158.73 30.91 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 117.472 0.636 . . . . 0.0 109.544 175.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.571 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 24.9 ttpp -63.33 -42.18 98.95 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.098 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -29.48 70.54 Favored 'General case' 0 N--CA 1.44 -0.939 0 O-C-N 123.897 0.748 . . . . 0.0 111.02 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.457 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 67.0 m-20 -71.41 -33.41 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.7 m -75.34 -38.42 60.19 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.453 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 75.8 mt -60.84 -42.09 97.1 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.744 173.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.61 74.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.756 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.719 ' HA ' ' HG3' ' A' ' 53' ' ' GLU . 75.2 t80 -58.17 -34.09 69.93 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.707 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 1.7 mp -70.99 -33.03 50.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.305 0.574 . . . . 0.0 110.059 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -64.51 -41.05 96.64 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.7 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.719 ' HG3' ' HA ' ' A' ' 50' ' ' TYR . 4.3 mt-10 -46.91 -61.38 1.89 Allowed 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 118.04 -0.981 . . . . 0.0 113.309 -174.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.707 ' HB ' ' O ' ' A' ' 51' ' ' ILE . 1.5 p -97.63 -37.69 6.99 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 CA-C-N 121.251 1.841 . . . . 0.0 110.221 -2.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -85.67 -36.51 20.22 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.933 -0.479 . . . . 0.0 110.693 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 t -127.7 119.66 26.3 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.581 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -60.29 106.34 0.52 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.022 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.4 ttt -118.2 -46.24 2.62 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-O 122.107 0.956 . . . . 0.0 110.538 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.454 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 43.1 ttm180 -130.59 91.27 38.19 Favored Pre-proline 0 N--CA 1.453 -0.307 0 O-C-N 121.778 -0.576 . . . . 0.0 109.764 173.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' A' ' 59' ' ' ARG . 19.2 Cg_endo -61.07 165.45 12.35 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.244 2.629 . . . . 0.0 112.328 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.2 tp -72.33 -24.05 61.24 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.313 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.2 m -52.06 -56.72 12.6 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.414 HD22 ' HG2' ' A' ' 60' ' ' PRO . 2.1 pt? -87.93 -4.19 58.85 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.473 0.654 . . . . 0.0 110.836 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 64' ' ' ARG . 18.9 ttt180 -82.43 -28.31 31.4 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.713 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.554 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 8.6 tp-100 -94.48 113.36 25.2 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 174.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -90.94 -52.56 4.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.929 -168.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 25.2 ptm -84.99 -16.11 41.94 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.257 -172.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.554 ' HB3' ' CG ' ' A' ' 65' ' ' GLN . 25.5 t70 -108.4 116.89 32.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.393 0.616 . . . . 0.0 110.302 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -171.34 167.17 6.94 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 122.933 0.493 . . . . 0.0 109.779 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.8 34.81 0.45 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.372 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -118.42 4.94 11.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.494 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.188 -1.34 . . . . 0.0 111.114 179.409 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.955 0.407 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.43 ' HB ' ' OE2' ' A' ' 27' ' ' GLU . 13.0 t -61.35 143.61 55.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.382 175.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 t -102.69 139.42 38.3 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 -177.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -69.01 -22.84 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -104.01 102.47 12.24 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -84.4 85.55 7.38 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 121.255 0.55 . . . . 0.0 110.11 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.6 69.73 1.11 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.631 ' HB2' HD11 ' A' ' 43' ' ' LEU . 5.7 p-10 -177.32 -39.18 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.036 -173.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.455 ' O ' HG22 ' A' ' 10' ' ' ILE . 32.7 t70 74.73 119.79 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 114.256 -1.338 . . . . 0.0 112.22 171.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 9' ' ' ASP . 8.2 tp 68.16 85.43 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.427 1.491 . . . . 0.0 112.293 167.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -92.46 153.36 19.16 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.093 -1.867 . . . . 0.0 110.643 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -128.4 179.95 5.36 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.704 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 25.3 pt20 -149.07 155.18 40.36 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.841 ' HB ' ' HA3' ' A' ' 39' ' ' GLY . 41.7 t -99.68 123.54 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.202 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -117.24 163.31 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-O 121.056 0.455 . . . . 0.0 109.924 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 p -129.08 144.34 38.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.495 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -91.76 -178.23 4.99 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 176.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -77.89 -4.2 45.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.154 0.502 . . . . 0.0 110.925 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.48 ' HB2' ' HG3' ' A' ' 21' ' ' GLN . 14.6 mp0 -104.85 8.51 34.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.027 0.441 . . . . 0.0 110.072 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 70.01 22.38 5.78 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 122.341 1.067 . . . . 0.0 109.635 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.48 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 23.5 mt-30 -78.08 127.34 32.17 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.369 171.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -103.31 144.41 31.39 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 123.358 0.411 . . . . 0.0 110.953 -176.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 t -151.45 176.1 11.63 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.8 pt -110.94 145.2 17.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.439 0.637 . . . . 0.0 111.434 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.426 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 71.7 t-105 -140.54 142.05 27.6 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 115.168 -0.923 . . . . 0.0 108.601 -178.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.69 ' HG2' ' HD2' ' A' ' 29' ' ' LYS . 52.1 Cg_exo -52.69 128.84 29.83 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.757 1.638 . . . . 0.0 111.92 176.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HG3' ' HB3' ' A' ' 41' ' ' SER . 4.9 tm-20 -64.89 -31.45 72.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.581 0.551 . . . . 0.0 111.481 -174.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.469 ' OH ' ' HE2' ' A' ' 29' ' ' LYS . 19.8 p90 -84.55 -12.51 54.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.602 -175.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.69 ' HD2' ' HG2' ' A' ' 26' ' ' PRO . 62.3 mttm -95.09 158.13 15.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 119.58 -0.248 . . . . 0.0 110.441 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -82.04 132.12 35.25 Favored 'General case' 0 N--CA 1.441 -0.895 0 O-C-N 124.109 0.881 . . . . 0.0 110.18 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.6 mt -74.39 137.4 74.82 Favored Pre-proline 0 N--CA 1.451 -0.389 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.201 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.25 146.94 96.84 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 122.579 2.186 . . . . 0.0 112.121 175.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.41 96.47 6.05 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -175.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.48 -23.13 0.43 Allowed Glycine 0 C--N 1.306 -1.118 0 CA-C-N 113.899 -1.5 . . . . 0.0 109.806 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -107.73 146.44 32.11 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -126.45 139.83 52.94 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.78 126.08 28.8 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.8 -15.48 2.06 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.224 0.535 . . . . 0.0 111.858 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.841 ' HA3' ' HB ' ' A' ' 14' ' ' VAL . . . -109.52 -176.75 21.27 Favored Glycine 0 N--CA 1.439 -1.148 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.619 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -80.18 170.55 16.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.744 0.307 . . . . 0.0 110.557 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.443 ' HB3' ' HG3' ' A' ' 27' ' ' GLU . 4.7 m -122.54 149.22 44.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.671 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.15 -149.84 20.03 Favored Glycine 0 C--O 1.222 -0.614 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.631 HD11 ' HB2' ' A' ' 8' ' ' ASP . 3.7 mm? -65.12 161.23 19.44 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.615 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 88.2 tttt -63.64 -47.38 81.55 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.082 -175.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -61.54 -34.44 75.56 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.879 -179.167 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 35.4 t70 -68.37 -37.47 80.47 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.804 0.811 . . . . 0.0 110.312 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 77.0 m -70.43 -40.51 73.76 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.128 176.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 84.3 mt -60.07 -42.31 94.26 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 121.29 0.567 . . . . 0.0 110.788 176.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.4 -40.16 77.68 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.912 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.562 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 68.2 t80 -57.13 -42.64 81.33 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.304 176.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.541 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.7 mp -60.47 -34.75 59.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-O 121.272 0.558 . . . . 0.0 110.272 -177.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.43 -43.09 99.66 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.5 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.608 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 21.9 mm-40 -45.68 -62.96 1.08 Allowed 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.909 0.755 . . . . 0.0 112.762 -174.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.608 ' C ' ' HB2' ' A' ' 53' ' ' GLU . 2.2 p -92.45 -45.31 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 121.981 2.173 . . . . 0.0 110.507 -1.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 55.3 t90 -87.71 -35.07 18.15 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 122.094 0.949 . . . . 0.0 109.17 173.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -159.72 140.67 12.43 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 114.414 -1.267 . . . . 0.0 109.077 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.616 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 8.9 p-10 -85.65 139.48 31.36 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.116 -0.633 . . . . 0.0 111.141 -173.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.4 ptp -81.22 87.26 6.11 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.983 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 66.78 136.96 0.05 OUTLIER Pre-proline 0 N--CA 1.469 0.491 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.24 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.416 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 4.3 Cg_endo -43.71 93.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.915 3.077 . . . . 0.0 113.953 -169.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.616 ' HG ' ' HB2' ' A' ' 57' ' ' ASP . 2.8 pp -91.06 1.31 57.18 Favored 'General case' 0 N--CA 1.437 -1.078 0 O-C-N 122.177 -0.327 . . . . 0.0 110.736 175.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.3 m -66.95 -17.64 65.01 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 -174.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.653 ' H ' HD23 ' A' ' 63' ' ' LEU . 1.6 pt? -107.18 -16.81 14.32 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.429 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.57 ' HG2' ' HA ' ' A' ' 61' ' ' LEU . 14.1 ptm180 -101.22 -40.35 7.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.285 -177.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 59.75 -179.37 0.09 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-O 122.007 0.908 . . . . 0.0 111.166 -175.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -92.48 -1.32 57.06 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -100.37 36.8 1.8 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.754 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -46.26 -44.41 16.41 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 123.953 0.901 . . . . 0.0 112.364 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -161.51 160.92 29.72 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.203 0.525 . . . . 0.0 111.435 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.26 132.57 45.99 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 118.89 -0.576 . . . . 0.0 109.76 175.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 65.82 19.86 11.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.809 0.693 . . . . 0.0 110.585 -175.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.745 -1.031 . . . . 0.0 112.576 -178.237 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 C--O 1.209 -1.052 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.1 m -72.81 124.57 25.64 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.051 0.453 . . . . 0.0 111.251 -174.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m 65.36 18.31 11.3 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.875 173.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -79.06 -17.5 13.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 CA-C-O 121.964 0.888 . . . . 0.0 109.983 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -72.94 106.39 4.83 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.325 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -119.5 143.66 47.44 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 122.783 0.433 . . . . 0.0 110.571 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -82.47 -64.85 1.09 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.375 0.607 . . . . 0.0 112.088 -173.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -114.44 85.08 2.17 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.708 -173.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.481 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 7.2 p-10 -95.66 -110.57 0.14 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 167.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.713 HG23 ' HB2' ' A' ' 44' ' ' LYS . 7.1 tp -157.07 110.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 122.064 0.935 . . . . 0.0 109.051 171.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.789 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 88.9 mt-30 -102.36 133.42 47.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.678 -173.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.683 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 97.9 m-85 -122.02 177.17 5.43 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 122.443 1.116 . . . . 0.0 111.661 -174.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -138.91 146.4 41.03 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 113.733 -1.576 . . . . 0.0 106.956 169.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.36 121.23 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.843 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.619 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.437 ' HB ' ' HB3' ' A' ' 35' ' ' TRP . 16.4 m -114.76 146.71 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-O 121.256 0.55 . . . . 0.0 110.787 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -118.77 134.59 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-O 121.158 0.504 . . . . 0.0 110.474 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -89.15 168.39 12.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.74 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -71.26 2.06 5.25 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 121.178 0.513 . . . . 0.0 111.623 -175.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -104.73 9.1 35.15 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.455 0.645 . . . . 0.0 109.822 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 59.6 48.97 8.91 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.177 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -116.54 130.06 56.54 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.707 170.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -92.24 147.81 22.64 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.762 0.791 . . . . 0.0 111.781 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.9 m -149.92 170.25 19.26 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.2 pt -120.49 128.99 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.929 0 CA-C-O 121.234 0.54 . . . . 0.0 110.93 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 47.3 t-105 -118.18 132.09 23.9 Favored Pre-proline 0 C--N 1.309 -1.183 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.168 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 52.2 Cg_exo -56.39 116.15 2.98 Favored 'Trans proline' 0 C--N 1.334 -0.218 0 C-N-CA 121.913 1.742 . . . . 0.0 112.232 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -51.54 -26.7 9.02 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.478 ' HE2' ' H ' ' A' ' 11' ' ' GLN . 27.8 m-85 -61.1 -39.99 92.04 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.405 0.622 . . . . 0.0 110.873 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -96.19 153.32 17.86 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.525 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -81.8 135.17 35.47 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.25 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 23.9 pt -72.97 155.52 90.41 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 121.217 0.532 . . . . 0.0 111.385 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -85.4 159.3 11.05 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 123.202 2.601 . . . . 0.0 111.55 174.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -64.79 130.14 42.41 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.204 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.78 -16.48 8.9 Favored Glycine 0 C--N 1.31 -0.879 0 C-N-CA 120.253 -0.975 . . . . 0.0 111.801 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.437 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . 91.4 m95 -107.94 144.99 34.45 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.051 0.453 . . . . 0.0 110.034 175.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -118.03 133.8 55.57 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 116.334 -0.394 . . . . 0.0 109.978 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.25 124.77 28.3 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -173.57 102.61 0.12 Allowed 'General case' 0 C--O 1.242 0.677 0 CA-C-O 121.135 0.493 . . . . 0.0 111.425 -170.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.58 -89.09 0.14 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.273 -0.965 . . . . 0.0 113.367 174.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -136.86 132.18 34.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.095 0.474 . . . . 0.0 110.296 -175.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 m -118.84 117.96 30.27 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.932 175.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.34 -150.49 10.17 Favored Glycine 0 CA--C 1.501 -0.786 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.789 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -92.88 176.58 6.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.763 0.782 . . . . 0.0 111.566 178.494 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.713 ' HB2' HG23 ' A' ' 10' ' ' ILE . 64.8 tttp -46.54 -51.34 15.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.872 0.869 . . . . 0.0 113.267 -174.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HD2' ' C ' ' A' ' 45' ' ' LYS . 1.1 tmmt? -62.76 -47.09 85.05 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.26 -0.176 . . . . 0.0 111.303 -174.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -70.0 -32.79 71.14 Favored 'General case' 0 CA--C 1.508 -0.671 0 O-C-N 123.571 0.545 . . . . 0.0 110.773 -175.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 51.8 m -66.05 -53.35 39.48 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.921 0.867 . . . . 0.0 110.146 176.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.6 tp -55.57 -49.55 72.44 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.256 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.687 ' O ' ' HG2' ' A' ' 53' ' ' GLU . . . -52.14 -41.22 62.35 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 123.957 0.786 . . . . 0.0 111.386 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.508 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 76.2 t80 -59.67 -47.7 84.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.401 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.596 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.9 mp -68.8 -38.21 78.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 O-C-N 121.44 -0.788 . . . . 0.0 111.633 -171.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.71 -36.96 85.59 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.443 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.687 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 52.4 mm-40 -50.04 -62.98 1.26 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.596 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.7 p -94.61 -41.84 12.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-N 121.436 1.926 . . . . 0.0 110.786 -2.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -107.56 56.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.717 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.2 p -88.22 -159.81 0.58 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.441 172.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -145.65 89.36 1.91 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.0 tpp -168.33 118.11 0.76 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.512 -177.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.515 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 10.6 mpt_? -92.13 -56.8 0.24 Allowed Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.515 ' HD3' ' HB2' ' A' ' 59' ' ' ARG . 90.4 Cg_endo -78.64 53.51 4.64 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 122.979 2.453 . . . . 0.0 112.452 -178.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.441 HD21 ' HB1' ' A' ' 49' ' ' ALA . 3.1 pp -79.22 6.46 9.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.39 0.614 . . . . 0.0 111.463 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.2 p -67.35 -11.31 57.35 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.189 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -70.69 -7.77 47.07 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.997 0.427 . . . . 0.0 109.965 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -74.34 -21.83 59.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.406 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -83.34 160.02 21.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.256 0.55 . . . . 0.0 111.889 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -87.6 -9.57 53.92 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.409 176.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 50.3 tpp -69.31 -29.04 66.8 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.681 175.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -80.88 178.66 8.26 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.236 -178.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -67.99 113.44 5.69 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.824 0.345 . . . . 0.0 111.401 -175.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.81 144.33 48.93 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.61 0.719 . . . . 0.0 109.997 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.41 111.06 19.59 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.54 176.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.868 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -178.449 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptp . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.3 m -133.32 109.68 9.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.227 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 m -137.39 105.15 5.58 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.545 -177.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.4 t -87.77 -42.5 15.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 170.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -138.84 105.18 5.27 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.189 -1.369 . . . . 0.0 108.299 170.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.469 ' HB3' ' OD2' ' A' ' 8' ' ' ASP . 7.6 t70 -81.48 -179.54 7.42 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.749 -172.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' A' ' 7' ' ' ARG . 1.5 mpp_? -80.99 5.2 17.07 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.233 0.539 . . . . 0.0 111.232 -172.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.469 ' OD2' ' HB3' ' A' ' 6' ' ' ASP . 4.3 p30 -76.37 -17.58 59.31 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 171.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.8 121.43 35.24 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.964 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 tp -142.57 102.76 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.073 0 CA-C-O 121.864 0.84 . . . . 0.0 111.406 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.8 137.29 42.03 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.588 0.709 . . . . 0.0 110.344 -178.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -121.57 172.86 7.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.354 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.501 ' NE2' ' HA ' ' A' ' 27' ' ' GLU . 28.3 pt20 -145.19 152.78 40.55 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.077 -0.965 . . . . 0.0 108.683 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.75 129.68 44.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.871 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.9 m -114.49 141.57 30.42 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 C-N-CA 119.963 -0.695 . . . . 0.0 110.028 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 13.9 p -121.67 138.26 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.549 -177.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.51 ' HB3' ' HB3' ' A' ' 21' ' ' GLN . 61.9 t30 -90.87 164.34 14.08 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 175.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -73.93 16.05 0.25 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.145 0.498 . . . . 0.0 111.227 -176.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -102.56 5.11 39.14 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 170.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 63.78 41.89 6.56 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -171.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.514 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 7.6 tp-100 -94.06 120.14 33.9 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.004 -177.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -95.59 128.54 42.54 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.846 0.355 . . . . 0.0 111.741 -175.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -148.16 170.27 18.2 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 pt -119.03 149.48 21.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 O-C-N 121.993 -0.442 . . . . 0.0 110.434 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.431 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 68.1 t-105 -147.27 138.74 13.39 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.97 132.71 53.89 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.744 2.296 . . . . 0.0 112.09 175.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.501 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 44.4 tt0 -71.28 -25.82 62.61 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.791 0.329 . . . . 0.0 111.295 -175.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -64.91 -27.61 68.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.418 0.627 . . . . 0.0 110.817 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -96.2 147.86 23.31 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.478 -175.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -68.51 143.39 54.98 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.2 mt -69.4 129.88 91.3 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -56.45 148.14 64.51 Favored 'Trans proline' 0 C--O 1.243 0.763 0 C-N-CA 122.801 2.334 . . . . 0.0 113.176 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -64.93 121.13 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.371 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.5 -20.79 7.33 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.797 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -105.51 155.1 19.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.039 0.447 . . . . 0.0 110.099 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.54 ' HA ' ' HE ' ' A' ' 36' ' ' ARG . 2.3 tpm_? -125.02 144.13 50.55 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.99 131.04 44.74 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 121.109 0.481 . . . . 0.0 110.9 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.01 112.14 23.37 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.85 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.53 87.93 0.01 OUTLIER Glycine 0 N--CA 1.471 0.972 0 O-C-N 124.709 1.256 . . . . 0.0 115.822 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.747 ' HG2' ' HB2' ' A' ' 50' ' ' TYR . 46.9 tptt -170.85 98.07 0.22 Allowed 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 171.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 p -130.81 149.81 52.27 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 123.541 0.526 . . . . 0.0 110.518 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.07 -143.7 10.23 Favored Glycine 0 C--N 1.308 -0.999 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.474 ' HB2' ' HE3' ' A' ' 45' ' ' LYS . 4.1 mm? -68.2 153.07 44.48 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.105 176.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.489 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 53.4 tttm -51.69 -40.87 60.88 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.192 0.597 . . . . 0.0 110.727 -176.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.64 -32.4 71.57 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -179.363 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.43 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 38.3 t70 -69.57 -37.59 77.05 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.257 0.551 . . . . 0.0 110.477 -177.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.8 m -71.64 -37.42 70.84 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-O 121.322 0.582 . . . . 0.0 109.875 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 44' ' ' LYS . 78.9 mt -61.98 -42.98 99.74 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.946 176.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HA ' ' OE2' ' A' ' 52' ' ' GLU . . . -57.04 -40.72 77.33 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.225 177.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.747 ' HB2' ' HG2' ' A' ' 40' ' ' LYS . 89.9 t80 -53.7 -49.47 67.98 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 123.673 0.608 . . . . 0.0 111.478 176.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.674 ' HA ' HG23 ' A' ' 54' ' ' VAL . 1.8 mp -61.08 -35.08 63.03 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 121.312 0.577 . . . . 0.0 110.417 -179.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' OE2' ' HA ' ' A' ' 49' ' ' ALA . 49.4 mt-10 -59.29 -44.5 92.49 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.671 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.524 ' HB2' ' C ' ' A' ' 54' ' ' VAL . 23.6 mm-40 -45.52 -62.76 1.15 Allowed 'General case' 0 N--CA 1.475 0.784 0 O-C-N 124.703 1.252 . . . . 0.0 113.546 -174.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 51' ' ' ILE . 2.6 p -93.43 -38.37 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 121.445 1.929 . . . . 0.0 109.921 -3.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -106.85 42.8 1.23 Allowed 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 174.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.436 ' H ' ' HB3' ' A' ' 53' ' ' GLU . 79.6 p 60.0 78.05 0.29 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-N 114.7 -1.136 . . . . 0.0 111.072 -176.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD2' ' HG2' ' A' ' 59' ' ' ARG . 49.1 t0 -103.44 146.55 28.34 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.009 -177.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.8 ttt -103.61 -6.52 21.57 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.645 -169.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 24.8 ptt180 -66.55 146.06 99.02 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 59' ' ' ARG . 39.5 Cg_exo -61.02 83.49 0.08 OUTLIER 'Trans proline' 0 C--O 1.245 0.868 0 C-N-CA 123.493 2.795 . . . . 0.0 113.388 -170.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.449 ' H ' ' HG ' ' A' ' 61' ' ' LEU . 3.1 pp -90.99 -19.15 23.54 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.875 0.369 . . . . 0.0 111.079 170.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.13 -30.65 60.86 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.121 -174.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 pp -85.33 -3.83 58.96 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.054 175.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -95.66 -51.07 4.67 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.761 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 60.72 -167.26 0.19 Allowed 'General case' 0 C--O 1.247 0.96 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.775 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.404 ' HE2' ' CD ' ' A' ' 52' ' ' GLU . 68.9 m-70 -96.64 -53.77 3.45 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.706 0.765 . . . . 0.0 108.99 173.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 22.5 ttt -72.82 -35.04 67.21 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.379 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t70 71.3 168.03 0.31 Allowed 'General case' 0 N--CA 1.473 0.717 0 O-C-N 124.172 0.92 . . . . 0.0 109.342 -174.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.85 -11.45 59.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.514 0.673 . . . . 0.0 110.611 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 66.09 29.03 10.14 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.775 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.25 106.96 4.01 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.799 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.797 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.647 . . . . . . . . 0 0 . 1 stop_ save_