data_1n5g_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 1n5g _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 ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 116.998 -1.477 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.286 3.7 pt-20 -51.24 -62.86 1.36 Allowed 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.669 1.577 . . . . 0.0 114.143 -170.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.27 8.0 tp10 -68.47 -68.19 0.66 Allowed Pre-proline 0 CA--C 1.576 1.971 0 CA-C-O 113.884 -2.96 . . . . 0.0 113.579 -177.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.266 10.6 Cg_endo -71.23 -57.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.375 1.953 0 CA-C-N 127.488 3.71 . . . . 0.0 115.344 -177.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.276 15.8 m -73.62 -38.44 65.07 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 120.294 3.442 . . . . 0.0 120.294 -174.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -72.06 -30.28 64.98 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -62.92 -39.46 94.61 Favored 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 165.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -63.69 -29.22 70.47 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 164.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.46 1.3 ptp180 -66.89 -28.73 68.56 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 120.766 1.621 . . . . 0.0 114.786 165.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.303 7.1 m -60.18 -28.2 67.75 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 159.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.328 1.4 mpt_? -65.19 -24.64 67.43 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 163.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -67.31 -27.57 67.27 Favored 'General case' 0 CA--C 1.58 2.119 0 CA-C-N 119.048 0.84 . . . . 0.0 111.207 162.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.259 6.2 tt -65.48 -36.83 16.04 Favored Pre-proline 0 N--CA 1.499 1.99 0 CA-C-O 115.663 -2.113 . . . . 0.0 112.708 -175.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -48.17 -32.27 18.63 Favored 'Trans proline' 0 CA--C 1.578 2.704 0 CA-C-N 125.302 2.929 . . . . 0.0 116.531 160.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -87.89 -46.04 9.75 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 167.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.343 13.2 tt0 66.77 19.09 10.74 Favored 'General case' 0 CA--C 1.578 2.053 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 174.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.307 29.6 p90 -83.25 -36.02 24.89 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 119.918 -1.739 . . . . 0.0 113.727 165.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.2 t -86.34 45.55 1.25 Allowed 'General case' 0 CA--C 1.58 2.104 0 O-C-N 120.701 -1.25 . . . . 0.0 113.809 166.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -46.14 79.86 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 169.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -67.24 -54.44 20.92 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 110.784 -2.916 . . . . 0.0 113.616 166.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.86 78.16 0.12 Allowed Glycine 0 CA--C 1.559 2.782 0 CA-C-O 116.029 -2.539 . . . . 0.0 119.325 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -68.26 69.41 0.97 Allowed 'Trans proline' 0 CA--C 1.575 2.568 0 CA-C-N 123.35 3.575 . . . . 0.0 118.786 -175.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -126.44 -52.41 1.49 Allowed 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 124.376 1.07 . . . . 0.0 112.409 -176.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 7.0 p -137.04 144.14 45.06 Favored Pre-proline 0 CA--C 1.58 2.133 0 CA-C-N 119.572 1.078 . . . . 0.0 113.333 -176.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -76.11 98.59 1.21 Allowed 'Trans proline' 0 CA--C 1.569 2.259 0 C-N-CA 122.631 2.221 . . . . 0.0 115.099 -174.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.31 47.53 18.96 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.54 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 48.7 t -99.62 -10.45 21.99 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 -169.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -74.12 -37.77 64.01 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 170.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -58.56 -36.86 74.59 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 169.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.1 -41.75 75.72 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 167.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.2 m -49.43 -36.71 23.17 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 165.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.418 0.9 OUTLIER -72.56 -26.02 61.57 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 168.56 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.8 -45.48 79.91 Favored Pre-proline 0 CA--C 1.59 2.502 0 CA-C-N 121.264 1.847 . . . . 0.0 110.469 161.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -72.95 -49.03 0.25 Allowed 'Trans proline' 0 CA--C 1.578 2.715 0 CA-C-N 123.459 2.271 . . . . 0.0 117.191 160.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--O 1.27 2.156 0 CA-C-N 122.956 2.616 . . . . 0.0 112.825 -175.238 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.278 4.1 t . . . . . 1 CA--C 1.641 4.471 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 . . . . . . . . . 2 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -66.21 -43.18 87.47 Favored 'General case' 0 CA--C 1.609 3.238 0 CA-C-O 114.074 -2.87 . . . . 0.0 114.67 -166.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.307 7.5 tp10 -75.97 -65.0 0.48 Allowed Pre-proline 0 C--N 1.366 1.325 0 CA-C-O 114.843 -2.503 . . . . 0.0 115.885 177.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -72.43 -54.3 0.13 Allowed 'Trans proline' 1 N--CA 1.578 6.465 0 CA-C-N 126.634 3.405 . . . . 0.0 109.751 -177.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.276 93.9 m -77.76 -45.51 24.41 Favored 'General case' 1 N--CA 1.552 4.645 0 CA-C-O 125.168 2.414 . . . . 0.0 109.563 -161.403 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.319 0.5 OUTLIER -68.4 -33.39 74.15 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 118.044 -2.91 . . . . 0.0 113.513 178.849 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -57.88 -40.87 81.29 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 162.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.267 22.6 m-80 -60.88 -39.41 89.12 Favored 'General case' 1 N--CA 1.589 6.511 0 O-C-N 120.379 -1.451 . . . . 0.0 113.727 160.148 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.722 0.7 OUTLIER -49.84 -44.79 49.69 Favored 'General case' 1 CA--C 1.705 6.941 1 O-C-N 115.892 -4.255 . . . . 0.0 108.83 168.677 . . . . . . . . 5 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 1.475 ' CA ' ' C ' ' A' ' 13' ' ' THR . 75.1 m -60.51 -34.65 74.39 Favored 'General case' 1 CA--C 1.8 10.573 2 N-CA-C 98.717 -4.549 . . . . 0.0 98.717 -176.787 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.43 1.9 mpt_? -56.03 -35.31 66.72 Favored 'General case' 0 CA--C 1.612 3.35 0 O-C-N 118.227 -2.796 . . . . 0.0 112.209 166.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.375 9.9 m170 -51.8 -36.29 47.23 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 114.029 -2.891 . . . . 0.0 115.219 157.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.377 8.1 tt -67.83 -36.54 9.83 Favored Pre-proline 1 N--CA 1.616 7.829 0 C-N-CA 129.041 2.936 . . . . 0.0 103.693 -169.409 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -52.96 -41.18 73.08 Favored 'Trans proline' 0 CA--C 1.484 -1.983 2 O-C-N 109.822 -5.936 . . . . 0.0 113.919 167.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 pp -81.48 -39.48 24.72 Favored 'General case' 1 N--CA 1.589 6.503 1 O-C-N 109.607 -8.183 . . . . 0.0 120.988 170.298 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.456 12.9 tt0 75.03 6.73 4.27 Favored 'General case' 2 CA--C 1.692 6.405 0 C-N-CA 130.935 3.694 . . . . 0.0 113.434 165.243 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.496 1.3 p90 -73.57 -37.58 65.46 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 171.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -95.51 56.55 1.83 Allowed 'General case' 1 CA--C 1.699 6.696 0 CA-C-O 125.616 2.626 . . . . 0.0 107.962 172.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -29.75 43.56 Favored 'General case' 0 CA--C 1.619 3.603 1 N-CA-C 122.731 4.345 . . . . 0.0 122.731 170.527 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 p -88.72 -44.53 10.5 Favored 'General case' 0 CA--C 1.618 3.581 1 CA-C-N 101.423 -7.171 . . . . 0.0 109.524 170.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.59 80.66 0.05 OUTLIER Glycine 1 CA--C 1.638 7.738 1 CA-C-O 113.098 -4.168 . . . . 0.0 118.159 172.203 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -74.64 79.03 2.64 Favored 'Trans proline' 0 C--N 1.397 3.085 2 CA-C-O 131.23 4.596 . . . . 0.0 114.592 -166.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.25 4.1 mp -139.08 -48.62 0.49 Allowed 'General case' 2 N--CA 1.604 7.247 1 O-C-N 112.415 -6.428 . . . . 0.0 105.446 -164.18 . . . . . . . . 4 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.479 20.4 p -135.8 147.94 63.22 Favored Pre-proline 1 N--CA 1.587 6.419 0 CA-C-O 115.637 -2.125 . . . . 0.0 109.073 -175.569 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.372 79.1 Cg_endo -69.2 104.48 1.24 Allowed 'Trans proline' 2 N--CA 1.66 11.316 0 C-N-CA 123.323 2.682 . . . . 0.0 113.92 166.973 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.311 . . 54.47 50.82 15.28 Favored 'General case' 2 CA--C 1.665 5.403 0 CA-C-O 116.51 -1.709 . . . . 0.0 112.491 167.484 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.435 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.302 41.1 t -108.25 -10.56 15.36 Favored 'General case' 0 C--O 1.279 2.611 0 O-C-N 116.777 -3.702 . . . . 0.0 116.006 -168.705 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.451 1.2 tmt? -65.94 -49.58 67.42 Favored 'General case' 0 C--N 1.398 2.688 0 CA-C-O 115.279 -2.296 . . . . 0.0 114.685 170.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -56.15 -28.16 56.97 Favored 'General case' 1 N--CA 1.624 8.258 0 N-CA-C 120.976 3.695 . . . . 0.0 120.976 172.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.75 88.25 Favored 'General case' 1 N--CA 1.578 5.955 0 CA-C-O 114.853 -2.499 . . . . 0.0 116.847 165.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 m -48.15 -42.69 30.16 Favored 'General case' 0 CA--C 1.593 2.608 1 O-C-N 131.292 5.37 . . . . 0.0 113.31 164.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 1.584 ' CD1' HD13 ' A' ' 35' ' ' LEU 0.575 0.9 OUTLIER -60.21 -32.08 70.77 Favored 'General case' 1 N--CA 1.554 4.77 0 C-N-CA 129.184 2.994 . . . . 0.0 113.866 165.714 . . . . . . . . 5 4 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -59.5 -44.73 98.33 Favored Pre-proline 1 N--CA 1.557 4.882 0 O-C-N 117.295 -3.378 . . . . 0.0 105.396 170.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -73.28 -44.27 0.58 Allowed 'Trans proline' 0 N--CA 1.517 2.877 1 CA-C-N 132.298 5.428 . . . . 0.0 118.6 158.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.385 35.9 tt0 . . . . . 1 CA--C 1.631 4.074 0 CA-C-N 124.65 3.386 . . . . 0.0 115.339 -176.535 . . . . . . . . 2 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 CA--C 1.588 2.413 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 1.53 ' HG2' ' CG ' ' A' ' 5' ' ' GLU 0.274 2.8 pt-20 -55.06 -53.0 61.44 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 118.518 -2.614 . . . . 0.0 115.935 -170.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.378 5.5 tp10 -73.48 -66.28 0.55 Allowed Pre-proline 0 C--N 1.427 3.938 0 O-C-N 116.305 -3.997 . . . . 0.0 117.625 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -65.93 -58.97 0.15 Allowed 'Trans proline' 0 C--O 1.246 0.923 0 CA-C-N 127.643 3.765 . . . . 0.0 114.868 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.396 97.6 m -68.41 -49.09 62.56 Favored 'General case' 0 C--N 1.415 3.428 2 CA-C-O 130.978 5.18 . . . . 0.0 119.985 -169.721 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.384 0.1 OUTLIER -62.86 -38.26 90.1 Favored 'General case' 0 C--O 1.284 2.902 0 CA-C-N 109.843 -3.344 . . . . 0.0 115.984 174.461 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.8 ttt-85 -60.82 -42.34 97.5 Favored 'General case' 0 N--CA 1.53 3.555 1 CA-C-O 110.195 -4.717 . . . . 0.0 103.918 166.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -68.65 -30.09 68.72 Favored 'General case' 0 CA--C 1.617 3.54 1 CA-C-N 126.233 4.106 . . . . 0.0 117.304 166.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.386 3.0 ptp180 -57.87 -28.58 64.3 Favored 'General case' 0 C--N 1.371 1.54 1 O-C-N 115.844 -4.285 . . . . 0.0 114.39 165.776 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.2 m -62.45 -34.11 76.15 Favored 'General case' 2 CA--C 1.705 6.925 0 CA-C-O 115.716 -2.087 . . . . 0.0 106.375 171.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.359 1.4 mpt_? -55.44 -32.92 63.15 Favored 'General case' 1 N--CA 1.544 4.239 0 CA-C-N 120.964 1.711 . . . . 0.0 112.08 164.805 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.33 23.9 m170 -58.64 -30.53 67.38 Favored 'General case' 0 CA--C 1.627 3.933 1 CA-C-O 109.753 -4.927 . . . . 0.0 116.565 160.999 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.291 8.8 tt -70.57 -31.11 2.03 Favored Pre-proline 0 N--CA 1.517 2.915 1 O-C-N 129.441 4.213 . . . . 0.0 106.196 -173.062 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -31.9 92.25 Favored 'Trans proline' 1 N--CA 1.558 5.318 0 O-C-N 113.893 -3.793 . . . . 0.0 111.341 168.064 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -81.54 -48.65 11.54 Favored 'General case' 0 CA--C 1.623 3.777 1 O-C-N 111.391 -7.068 . . . . 0.0 115.017 171.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.754 14.5 tt0 76.77 2.96 3.41 Favored 'General case' 0 C--O 1.271 2.198 1 N-CA-C 123.836 4.754 . . . . 0.0 123.836 175.406 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.268 2.2 p90 -82.19 -28.88 31.77 Favored 'General case' 0 C--N 1.41 3.238 1 O-C-N 115.864 -4.272 . . . . 0.0 114.346 177.445 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.305 46.2 t -94.94 58.23 2.19 Favored 'General case' 1 CA--C 1.665 5.366 1 CA-C-O 130.504 4.954 . . . . 0.0 111.133 165.86 . . . . . . . . 4 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -18.76 28.74 Favored 'General case' 1 C--O 1.352 6.462 3 N-CA-C 126.027 5.566 . . . . 0.0 126.027 173.361 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -90.43 -51.11 5.58 Favored 'General case' 0 CA--C 1.606 3.109 1 CA-C-N 105.004 -5.544 . . . . 0.0 103.855 171.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.24 72.38 0.57 Allowed Glycine 2 C--N 1.445 6.636 1 CA-C-O 108.809 -6.55 . . . . 0.0 118.234 175.68 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -69.77 81.16 0.84 Allowed 'Trans proline' 1 N--CA 1.633 9.681 1 CA-C-N 128.447 6.124 . . . . 0.0 108.444 -164.632 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.457 6.2 mp -146.53 -40.15 0.21 Allowed 'General case' 0 C--N 1.256 -3.46 0 CA-C-O 124.355 2.026 . . . . 0.0 111.057 -168.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . 0.312 16.3 p -140.64 145.88 42.24 Favored Pre-proline 0 N--CA 1.507 2.379 0 O-C-N 116.786 -3.696 . . . . 0.0 110.8 174.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -67.81 108.57 1.7 Allowed 'Trans proline' 1 C--N 1.421 4.362 0 CA-C-N 124.227 2.545 . . . . 0.0 111.885 175.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 1.562 ' HB2' ' CB ' ' A' ' 29' ' ' ALA . . . 53.16 49.65 19.49 Favored 'General case' 1 CA--C 1.641 4.466 1 O-C-N 115.305 -4.622 . . . . 0.0 113.546 166.304 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . 0.392 14.1 t -115.26 3.99 14.38 Favored 'General case' 1 N--CA 1.593 6.707 1 O-C-N 113.988 -5.445 . . . . 0.0 113.441 -169.101 . . . . . . . . 4 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.364 1.4 tmt? -73.3 -44.39 59.21 Favored 'General case' 0 C--N 1.398 2.704 1 O-C-N 131.769 5.668 . . . . 0.0 111.997 170.733 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -60.43 -25.27 65.83 Favored 'General case' 1 C--N 1.475 6.039 0 N-CA-C 121.269 3.803 . . . . 0.0 121.269 174.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.09 -31.93 71.01 Favored 'General case' 0 C--N 1.398 2.691 1 N-CA-C 124.216 4.895 . . . . 0.0 124.216 171.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.7 m -60.3 -36.93 79.03 Favored 'General case' 1 CA--C 1.726 7.72 1 CA-C-O 109.676 -4.964 . . . . 0.0 104.577 166.192 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 1.522 ' CD1' HD13 ' A' ' 35' ' ' LEU 0.396 1.2 mp -69.39 -28.94 66.61 Favored 'General case' 0 C--N 1.367 1.354 0 CA-C-N 125.419 3.736 . . . . 0.0 109.966 170.38 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -52.16 -53.76 48.71 Favored Pre-proline 1 CA--C 1.639 4.399 0 CA-C-N 123.591 2.905 . . . . 0.0 108.794 164.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.66 -53.02 1.1 Allowed 'Trans proline' 1 N--CA 1.56 5.424 1 CA-C-N 129.621 4.472 . . . . 0.0 115.516 161.779 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.279 50.7 tt0 . . . . . 1 C--O 1.318 4.688 0 CA-C-O 112.083 -3.818 . . . . 0.0 120.726 -175.703 . . . . . . . . 2 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.609 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.429 1.8 t . . . . . 0 CA--C 1.457 -2.632 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.466 2.1 pt-20 -47.53 -61.0 2.13 Favored 'General case' 0 C--N 1.258 -3.392 0 CA-C-O 116.537 -1.697 . . . . 0.0 114.918 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.346 2.3 tp10 -75.94 -64.51 0.53 Allowed Pre-proline 2 N--CA 1.56 5.074 1 CA-C-O 110.83 -4.414 . . . . 0.0 116.937 -175.593 . . . . . . . . 4 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.33 6.3 Cg_endo -56.17 -67.28 0.08 OUTLIER 'Trans proline' 0 C--N 1.291 -2.48 1 CA-C-N 129.752 4.518 . . . . 0.0 118.941 169.661 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.357 90.5 m -70.6 -45.62 64.96 Favored 'General case' 0 N--CA 1.505 2.277 1 N-CA-C 123.874 4.768 . . . . 0.0 123.874 -171.985 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -28.77 65.79 Favored 'General case' 1 CA--C 1.647 4.71 0 CA-C-N 110.908 -2.86 . . . . 0.0 114.894 173.548 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -63.75 -44.3 93.89 Favored 'General case' 1 C--N 1.436 4.331 0 CA-C-O 114.52 -2.657 . . . . 0.0 107.598 162.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -62.63 -37.03 84.72 Favored 'General case' 0 N--CA 1.502 2.141 0 CA-C-N 125.846 3.93 . . . . 0.0 116.677 165.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.427 3.8 ptp180 -57.9 -32.43 67.73 Favored 'General case' 1 N--CA 1.576 5.867 0 C-N-CA 117.106 -1.838 . . . . 0.0 110.217 169.731 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.491 ' HG1' ' HE3' ' A' ' 31' ' ' MET 0.477 8.6 m -49.37 -33.77 14.42 Favored 'General case' 2 N--CA 1.634 8.734 1 N-CA-C 123.679 4.696 . . . . 0.0 123.679 155.332 . . . . . . . . 5 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -66.42 -20.61 66.11 Favored 'General case' 1 N--CA 1.556 4.856 0 O-C-N 126.413 2.321 . . . . 0.0 114.288 165.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.359 55.8 m170 -72.35 -35.57 68.58 Favored 'General case' 1 CA--C 1.659 5.166 1 CA-C-O 111.178 -4.249 . . . . 0.0 106.619 169.493 . . . . . . . . 4 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.366 5.5 tt -54.23 -37.15 50.17 Favored Pre-proline 0 C--N 1.401 2.815 0 N-CA-C 118.871 2.915 . . . . 0.0 118.871 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.301 92.7 Cg_exo -51.56 -31.69 40.91 Favored 'Trans proline' 1 CA--C 1.617 4.651 0 O-C-N 114.917 -3.254 . . . . 0.0 117.2 159.077 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.496 3.7 pp -82.98 -57.09 3.44 Favored 'General case' 0 CA--C 1.607 3.168 0 CA-C-N 118.153 0.433 . . . . 0.0 110.707 171.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.424 19.1 tt0 68.96 23.05 6.79 Favored 'General case' 0 CA--C 1.562 1.426 0 O-C-N 128.07 3.356 . . . . 0.0 119.307 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.276 16.6 p90 -91.07 -35.63 14.49 Favored 'General case' 1 N--CA 1.574 5.742 0 O-C-N 120.499 -1.376 . . . . 0.0 111.754 173.009 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.2 t -82.13 52.82 2.08 Favored 'General case' 0 C--O 1.299 3.701 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 161.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.339 0.0 OUTLIER -79.28 -35.15 41.77 Favored 'General case' 2 N--CA 1.578 5.96 0 N-CA-C 121.176 3.769 . . . . 0.0 121.176 179.649 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.3 p -74.76 -51.99 12.67 Favored 'General case' 0 C--N 1.294 -1.819 2 CA-C-N 102.26 -6.791 . . . . 0.0 105.045 169.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.38 71.96 0.7 Allowed Glycine 1 C--N 1.561 13.044 1 CA-C-O 109.717 -6.046 . . . . 0.0 112.83 173.756 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.83 74.32 0.66 Allowed 'Trans proline' 2 N--CA 1.615 8.649 1 CA-C-N 133.853 8.827 . . . . 0.0 114.907 -173.433 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 1.63 ' CB ' ' CA ' ' A' ' 26' ' ' LEU 0.354 6.0 mp -146.15 -37.89 0.24 Allowed 'General case' 0 C--N 1.425 3.856 0 CA-C-N 120.934 1.697 . . . . 0.0 113.685 -170.292 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 15.6 p -139.97 146.92 48.83 Favored Pre-proline 1 C--O 1.309 4.213 0 C-N-CA 114.49 -2.884 . . . . 0.0 111.226 169.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.378 10.3 Cg_endo -73.58 100.39 1.25 Allowed 'Trans proline' 3 CA--C 1.726 10.108 0 CA-C-N 122.938 2.085 . . . . 0.0 112.659 -172.867 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.662 ' C ' ' CA ' ' A' ' 30' ' ' CYS . . . 67.64 30.81 6.37 Favored 'General case' 0 N--CA 1.529 3.513 0 C-N-CA 117.237 -1.785 . . . . 0.0 114.645 172.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 1.515 ' N ' ' CA ' ' A' ' 30' ' ' CYS 0.29 18.1 t -101.08 6.76 43.44 Favored 'General case' 1 N--CA 1.696 11.862 0 CA-C-N 123.999 3.09 . . . . 0.0 115.617 -167.154 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.541 ' HE2' HD11 ' A' ' 35' ' ' LEU 0.367 1.5 tmt? -81.43 -41.79 21.33 Favored 'General case' 1 CA--C 1.661 5.216 1 CA-C-O 102.778 -8.248 . . . . 0.0 105.851 176.429 . . . . . . . . 5 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -64.05 -36.92 85.57 Favored 'General case' 1 CA--C 1.654 4.973 1 O-C-N 131.021 5.201 . . . . 0.0 110.498 179.34 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.69 -41.63 74.03 Favored 'General case' 0 C--N 1.398 2.675 0 C-N-CA 129.103 2.961 . . . . 0.0 117.114 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -55.76 -36.43 67.32 Favored 'General case' 1 CA--C 1.673 5.681 1 CA-C-O 110.816 -4.421 . . . . 0.0 104.792 168.364 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.541 HD11 ' HE2' ' A' ' 31' ' ' MET 0.516 3.5 mp -70.7 -33.25 70.68 Favored 'General case' 0 CA--C 1.602 2.945 0 O-C-N 126.753 2.533 . . . . 0.0 111.637 172.064 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.354 40.2 mt-30 -39.17 -58.03 1.98 Allowed Pre-proline 0 CA--C 1.61 3.27 0 C-N-CA 117.894 -1.522 . . . . 0.0 114.019 158.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -72.62 -44.8 0.64 Allowed 'Trans proline' 1 CA--C 1.63 5.317 0 CA-C-N 126.329 3.296 . . . . 0.0 114.68 165.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.426 48.5 tt0 . . . . . 1 CA--C 1.667 5.445 1 CA-C-O 108.456 -5.545 . . . . 0.0 114.652 -178.108 . . . . . . . . 3 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 1.555 ' CA ' ' HA ' ' A' ' 4' ' ' CYS . 8.4 t . . . . . 0 C--O 1.225 -0.234 1 CA-C-O 111.666 -4.016 . . . . 0.0 116.532 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.389 4.6 pt-20 -50.58 -52.47 38.85 Favored 'General case' 1 C--N 1.432 4.192 1 O-C-N 129.328 4.142 . . . . 0.0 118.76 175.278 . . . . . . . . 4 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.317 1.0 OUTLIER -80.7 -58.59 0.53 Allowed Pre-proline 0 C--N 1.401 2.837 0 O-C-N 118.113 -2.867 . . . . 0.0 112.454 -169.164 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -64.62 -61.18 0.11 Allowed 'Trans proline' 1 C--N 1.482 7.591 1 O-C-N 112.349 -4.606 . . . . 0.0 117.84 171.482 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.279 87.2 m -78.47 -46.45 19.67 Favored 'General case' 1 N--CA 1.589 6.519 0 C-N-CA 126.776 2.031 . . . . 0.0 115.617 -164.705 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.58 -37.09 84.2 Favored 'General case' 0 C--O 1.279 2.618 1 O-C-N 130.62 4.95 . . . . 0.0 108.069 175.524 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 ttt-85 -57.59 -41.9 82.12 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-O 117.991 -1.005 . . . . 0.0 112.664 164.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -66.02 -35.34 80.3 Favored 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 167.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.644 1.8 ptp180 -53.76 -41.87 67.61 Favored 'General case' 0 CA--C 1.578 2.056 0 CA-C-O 112.52 -3.61 . . . . 0.0 108.049 162.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.406 23.3 m -49.06 -29.05 4.6 Favored 'General case' 2 N--CA 1.617 7.919 0 N-CA-C 120.904 3.668 . . . . 0.0 120.904 160.597 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.31 0.3 OUTLIER -65.83 -34.7 78.76 Favored 'General case' 0 N--CA 1.531 3.601 1 O-C-N 132.114 5.884 . . . . 0.0 110.758 161.681 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.434 ' C ' ' CA ' ' A' ' 16' ' ' LEU 0.307 51.0 m170 -65.77 -35.73 81.54 Favored 'General case' 0 N--CA 1.514 2.738 0 O-C-N 118.14 -2.85 . . . . 0.0 106.279 174.365 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 1.532 ' N ' ' CA ' ' A' ' 16' ' ' LEU 0.266 2.2 tt -52.04 -34.35 15.03 Favored Pre-proline 2 N--CA 1.697 11.879 0 N-CA-C 119.328 3.084 . . . . 0.0 119.328 178.514 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.462 51.4 Cg_exo -50.69 -29.46 25.76 Favored 'Trans proline' 0 C--N 1.397 3.103 1 N-CA-C 123.46 4.369 . . . . 0.0 123.46 153.038 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.454 3.7 pp -88.4 -52.08 5.38 Favored 'General case' 2 N--CA 1.544 4.265 0 O-C-N 127.983 3.302 . . . . 0.0 112.546 164.132 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 65.03 30.54 11.69 Favored 'General case' 1 CA--C 1.649 4.769 1 C-N-CA 133.111 4.564 . . . . 0.0 111.503 176.228 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.364 42.3 p90 -90.2 -40.56 12.12 Favored 'General case' 0 C--O 1.275 2.409 0 O-C-N 118.412 -2.68 . . . . 0.0 110.574 169.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.4 t -77.03 42.28 0.31 Allowed 'General case' 1 CA--C 1.659 5.138 0 O-C-N 127.79 3.181 . . . . 0.0 118.654 165.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.36 0.0 OUTLIER -78.99 -38.2 37.37 Favored 'General case' 0 C--O 1.293 3.383 0 CA-C-O 115.917 -1.992 . . . . 0.0 113.398 -170.021 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -72.42 -35.46 68.36 Favored 'General case' 0 CA--C 1.607 3.157 1 CA-C-O 108.543 -5.503 . . . . 0.0 111.663 165.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 44.82 80.72 0.04 OUTLIER Glycine 0 C--N 1.393 3.732 1 CA-C-O 109.182 -6.343 . . . . 0.0 112.556 172.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.318 4.2 Cg_exo -63.65 72.91 0.16 Allowed 'Trans proline' 0 C--N 1.389 2.68 1 CA-C-N 131.288 7.544 . . . . 0.0 119.011 -177.953 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mp -143.29 -45.49 0.29 Allowed 'General case' 1 N--CA 1.586 6.368 1 CA-C-O 109.568 -5.015 . . . . 0.0 110.996 -168.468 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.324 26.5 p -132.01 149.24 72.74 Favored Pre-proline 0 C--O 1.203 -1.384 0 CA-C-N 123.274 2.761 . . . . 0.0 107.052 176.672 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.428 ' O ' ' HB1' ' A' ' 29' ' ' ALA 0.332 6.7 Cg_endo -76.74 87.78 1.44 Allowed 'Trans proline' 2 CA--C 1.655 6.529 0 O-C-N 113.583 -3.956 . . . . 0.0 109.284 178.363 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 28' ' ' PRO . . . 78.47 21.89 0.76 Allowed 'General case' 0 N--CA 1.531 3.594 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 166.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.546 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.251 10.7 t -87.98 3.83 47.25 Favored 'General case' 1 N--CA 1.581 6.088 2 CA-C-O 128.812 4.149 . . . . 0.0 122.146 -167.7 . . . . . . . . 5 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -80.2 -46.19 16.74 Favored 'General case' 0 CA--C 1.602 2.971 1 CA-C-O 106.127 -6.654 . . . . 0.0 106.883 174.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -53.76 -44.0 69.64 Favored 'General case' 2 CA--C 1.65 4.801 1 CA-C-N 127.887 4.858 . . . . 0.0 112.254 178.522 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.2 54.53 Favored 'General case' 1 N--CA 1.551 4.613 1 CA-C-O 110.286 -4.673 . . . . 0.0 115.004 -175.363 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -51.77 -43.22 62.92 Favored 'General case' 0 N--CA 1.429 -1.515 1 O-C-N 129.825 4.453 . . . . 0.0 113.466 163.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.731 4.6 mp -59.27 -30.21 68.13 Favored 'General case' 1 N--CA 1.633 8.678 0 C-N-CA 127.414 2.286 . . . . 0.0 113.855 164.144 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -55.24 -45.73 99.8 Favored Pre-proline 2 CA--C 1.704 6.892 1 CA-C-O 110.419 -4.61 . . . . 0.0 109.75 167.263 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -74.62 -48.08 0.2 Allowed 'Trans proline' 1 CA--C 1.628 5.189 0 CA-C-N 126.025 3.187 . . . . 0.0 113.425 163.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.465 46.4 tt0 . . . . . 2 C--N 1.486 6.536 1 CA-C-O 110.296 -4.669 . . . . 0.0 107.559 -177.021 . . . . . . . . 3 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.9 t . . . . . 0 C--O 1.285 2.968 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -47.98 -54.03 14.22 Favored 'General case' 2 C--N 1.459 5.334 0 CA-C-O 114.176 -2.821 . . . . 0.0 112.211 -176.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.506 0.9 OUTLIER -75.22 -63.79 0.66 Allowed Pre-proline 2 C--N 1.448 4.89 0 CA-C-N 123.838 3.017 . . . . 0.0 109.819 -170.686 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -68.72 -66.16 0.04 OUTLIER 'Trans proline' 2 N--CA 1.551 4.858 1 O-C-N 113.333 -4.088 . . . . 0.0 113.968 177.972 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.1 m -76.98 -43.47 34.82 Favored 'General case' 0 N--CA 1.536 3.871 1 CA-C-O 110.924 -4.37 . . . . 0.0 119.371 -166.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.312 1.3 m -48.07 -50.95 26.37 Favored 'General case' 0 N--CA 1.525 3.301 1 O-C-N 130.212 4.695 . . . . 0.0 111.487 162.528 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.7 ttt-85 -55.87 -36.28 67.41 Favored 'General case' 2 CA--C 1.644 4.591 0 O-C-N 118.298 -2.751 . . . . 0.0 111.949 167.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.279 42.1 m-80 -70.41 -36.87 74.29 Favored 'General case' 0 N--CA 1.502 2.137 0 CA-C-O 112.835 -3.46 . . . . 0.0 112.406 171.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.501 3.2 ptp180 -58.39 -30.68 67.01 Favored 'General case' 0 C--N 1.384 2.07 0 O-C-N 126.472 2.358 . . . . 0.0 110.425 166.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 1.533 ' CA ' ' C ' ' A' ' 13' ' ' THR . 54.7 m -60.72 -27.29 67.8 Favored 'General case' 2 CA--C 1.753 8.757 1 O-C-N 115.737 -4.352 . . . . 0.0 115.279 166.536 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.482 ' N ' ' CA ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -68.93 -32.39 71.96 Favored 'General case' 1 CA--C 1.636 4.281 0 CA-C-O 114.207 -2.806 . . . . 0.0 112.586 160.213 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.411 ' C ' ' CA ' ' A' ' 16' ' ' LEU . 23.2 m170 -60.2 -25.61 65.73 Favored 'General case' 0 CA--C 1.585 2.302 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 164.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 1.4 ' N ' ' CA ' ' A' ' 16' ' ' LEU . 1.3 tt -56.23 -29.47 5.9 Favored Pre-proline 2 N--CA 1.85 19.534 1 CA-C-O 111.124 -4.274 . . . . 0.0 114.593 176.415 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.301 19.0 Cg_exo -59.91 -32.89 95.87 Favored 'Trans proline' 1 N--CA 1.537 4.051 2 C-N-CA 129.586 6.857 . . . . 0.0 117.179 159.086 . . . . . . . . 4 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -87.12 -46.94 9.31 Favored 'General case' 0 N--CA 1.527 3.391 1 CA-C-O 110.507 -4.568 . . . . 0.0 112.374 162.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.429 7.3 tt0 69.35 7.52 6.28 Favored 'General case' 0 C--N 1.372 1.546 1 O-C-N 129.59 4.306 . . . . 0.0 115.516 173.976 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -78.64 -26.06 45.1 Favored 'General case' 0 C--N 1.406 3.028 0 N-CA-C 119.513 3.153 . . . . 0.0 119.513 170.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.6 t -91.69 47.78 1.39 Allowed 'General case' 0 CA--C 1.627 3.908 1 O-C-N 130.452 4.845 . . . . 0.0 112.186 168.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -16.76 24.83 Favored 'General case' 0 C--O 1.177 -2.727 0 CA-C-N 125.657 3.844 . . . . 0.0 115.912 -169.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.423 ' H ' ' HG1' ' A' ' 23' ' ' THR 0.298 2.7 p -86.11 -36.39 19.62 Favored 'General case' 0 CA--C 1.623 3.768 0 C-N-CA 129.762 3.225 . . . . 0.0 107.892 159.868 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 33.53 76.78 0.04 OUTLIER Glycine 1 CA--C 1.591 4.823 2 CA-C-O 110.454 -5.637 . . . . 0.0 123.798 -175.543 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -58.82 79.54 0.05 OUTLIER 'Trans proline' 0 CA--C 1.584 2.975 1 CA-C-N 125.698 4.749 . . . . 0.0 116.625 -172.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.379 4.6 mp -146.14 -40.82 0.21 Allowed 'General case' 1 CA--C 1.629 4.016 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -169.757 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.392 14.3 p -137.31 151.42 71.45 Favored Pre-proline 0 C--N 1.401 2.81 0 N-CA-C 105.278 -2.119 . . . . 0.0 105.278 178.227 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -78.11 90.31 1.27 Allowed 'Trans proline' 2 CA--C 1.413 -5.561 1 C-N-CA 126.331 4.687 . . . . 0.0 111.251 167.081 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.279 . . 65.63 32.27 9.29 Favored 'General case' 0 CA--C 1.604 3.054 0 O-C-N 117.254 -3.404 . . . . 0.0 114.761 165.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.534 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.431 10.9 t -80.67 -6.35 58.25 Favored 'General case' 1 CA--C 1.673 5.693 0 C-N-CA 127.527 2.331 . . . . 0.0 116.481 -175.066 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.95 -58.44 3.32 Favored 'General case' 0 N--CA 1.506 2.34 0 CA-C-O 116.421 -1.752 . . . . 0.0 110.954 169.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -41.98 -41.86 2.64 Favored 'General case' 0 N--CA 1.53 3.548 2 O-C-N 114.003 -5.435 . . . . 0.0 121.443 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.46 -28.59 65.47 Favored 'General case' 0 N--CA 1.505 2.282 1 C-N-CA 132.682 4.393 . . . . 0.0 120.721 178.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.289 6.0 m -62.12 -41.95 98.75 Favored 'General case' 0 CA--C 1.585 2.324 0 C-N-CA 129.203 3.001 . . . . 0.0 114.019 159.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.661 5.0 mp -58.1 -21.8 47.83 Favored 'General case' 2 CA--C 1.712 7.19 0 O-C-N 127.295 2.872 . . . . 0.0 113.642 165.192 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.448 21.7 mt-30 -59.75 -50.26 87.65 Favored Pre-proline 2 N--CA 1.593 6.706 1 CA-C-O 111.324 -4.179 . . . . 0.0 104.748 169.111 . . . . . . . . 4 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.374 2.7 Cg_exo -67.61 -55.71 0.26 Allowed 'Trans proline' 1 C--N 1.426 4.627 1 C-N-CA 129.082 6.521 . . . . 0.0 111.785 164.996 . . . . . . . . 4 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.398 42.6 tt0 . . . . . 1 C--N 1.471 5.888 1 CA-C-O 111.47 -4.109 . . . . 0.0 113.26 -172.189 . . . . . . . . 3 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.2 t . . . . . 0 CA--C 1.629 4.0 0 CA-C-O 123.201 1.477 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.375 4.8 pt-20 -56.15 -59.53 4.8 Favored 'General case' 0 C--N 1.412 3.289 0 CA-C-N 111.214 -2.721 . . . . 0.0 117.829 -177.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.388 0.6 OUTLIER -72.47 -57.14 3.61 Favored Pre-proline 0 C--O 1.175 -2.864 1 CA-C-O 111.144 -4.265 . . . . 0.0 110.939 -178.266 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -72.92 -64.25 0.03 OUTLIER 'Trans proline' 1 N--CA 1.65 10.704 1 CA-C-N 132.09 5.354 . . . . 0.0 120.191 174.389 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.6 m -72.54 -43.48 63.44 Favored 'General case' 0 N--CA 1.519 2.989 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 -170.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.56 -45.48 86.89 Favored 'General case' 0 CA--C 1.482 -1.645 0 CA-C-O 116.912 -1.518 . . . . 0.0 113.605 169.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.9 ttt-85 -52.97 -37.97 61.71 Favored 'General case' 2 CA--C 1.674 5.742 0 N-CA-C 104.338 -2.467 . . . . 0.0 104.338 167.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.518 55.0 m-80 -71.38 -34.28 70.28 Favored 'General case' 1 N--CA 1.55 4.541 0 O-C-N 118.964 -2.335 . . . . 0.0 112.952 170.042 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.533 HH12 HD13 ' A' ' 26' ' ' LEU 0.592 0.5 OUTLIER -57.47 -36.72 71.81 Favored 'General case' 0 N--CA 1.519 3.0 0 CA-C-O 124.502 2.096 . . . . 0.0 111.584 163.874 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.549 33.2 m -52.55 -30.54 31.21 Favored 'General case' 2 CA--C 1.682 6.034 1 O-C-N 115.748 -4.345 . . . . 0.0 110.655 163.31 . . . . . . . . 4 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.282 0.1 OUTLIER -73.25 -30.47 63.47 Favored 'General case' 0 CA--C 1.573 1.864 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.936 165.236 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 1.396 ' CA ' ' C ' ' A' ' 15' ' ' HIS 0.393 7.1 m170 -63.34 -25.82 68.48 Favored 'General case' 1 CA--C 1.899 14.39 0 N-CA-C 104.454 -2.424 . . . . 0.0 104.454 172.737 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.9 -38.87 64.94 Favored Pre-proline 1 N--CA 1.546 4.367 0 CA-C-O 113.063 -3.351 . . . . 0.0 107.473 -168.552 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -53.84 -34.61 76.29 Favored 'Trans proline' 1 N--CA 1.583 6.787 2 N-CA-C 125.998 5.345 . . . . 0.0 125.998 159.566 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.414 2.7 pp -78.52 -60.82 2.22 Favored 'General case' 2 N--CA 1.582 6.143 0 CA-C-O 127.238 3.399 . . . . 0.0 104.708 164.774 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 75.93 14.77 2.57 Favored 'General case' 1 N--CA 1.564 5.269 0 O-C-N 117.46 -3.275 . . . . 0.0 117.206 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.318 25.4 p90 -78.31 -27.52 47.22 Favored 'General case' 0 C--N 1.39 2.348 0 O-C-N 118.07 -2.894 . . . . 0.0 117.087 167.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.0 t -103.41 49.77 0.82 Allowed 'General case' 1 N--CA 1.542 4.171 0 O-C-N 120.937 -1.102 . . . . 0.0 109.732 171.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.368 0.0 OUTLIER -67.09 -16.03 64.08 Favored 'General case' 1 C--O 1.316 4.558 1 N-CA-C 127.171 5.989 . . . . 0.0 127.171 164.591 . . . . . . . . 5 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 p -99.3 -49.32 4.5 Favored 'General case' 0 CA--C 1.618 3.57 0 CA-C-N 110.632 -2.986 . . . . 0.0 115.218 163.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 41.27 86.39 0.01 OUTLIER Glycine 0 CA--C 1.573 3.677 1 O-C-N 132.242 5.964 . . . . 0.0 110.032 174.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.398 60.6 Cg_endo -49.87 68.03 0.02 OUTLIER 'Trans proline' 1 CA--C 1.695 8.571 2 C-N-CA 128.512 6.142 . . . . 0.0 122.845 170.726 . . . . . . . . 4 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.533 HD13 HH12 ' A' ' 12' ' ' ARG . 1.7 mp -134.74 -35.52 0.87 Allowed 'General case' 0 N--CA 1.524 3.239 1 C-N-CA 132.126 4.17 . . . . 0.0 121.183 -178.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.669 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.456 19.4 p -155.08 137.86 10.35 Favored Pre-proline 0 C--O 1.193 -1.905 1 CA-C-O 131.658 5.504 . . . . 0.0 105.629 -165.093 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.48 105.64 1.06 Allowed 'Trans proline' 1 N--CA 1.649 10.653 3 CA-C-O 133.828 5.679 . . . . 0.0 98.124 -178.615 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 38.16 44.29 0.65 Allowed 'General case' 1 N--CA 1.601 7.105 1 O-C-N 109.696 -8.127 . . . . 0.0 117.36 172.894 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.669 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.455 50.3 t -79.25 -7.4 58.24 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 111.838 -3.934 . . . . 0.0 112.037 175.586 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.522 ' C ' ' SD ' ' A' ' 31' ' ' MET . 0.0 OUTLIER -76.43 -36.65 57.87 Favored 'General case' 2 N--CA 1.664 10.236 1 CA-C-N 129.779 5.718 . . . . 0.0 116.451 169.614 . . . . . . . . 5 4 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.457 25.5 pttt -56.87 -48.78 77.34 Favored 'General case' 0 N--CA 1.52 3.062 0 O-C-N 120.338 -1.476 . . . . 0.0 111.127 176.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.269 . . -48.7 -28.12 3.36 Favored 'General case' 0 CA--C 1.589 2.448 0 CA-C-O 128.491 3.996 . . . . 0.0 121.709 172.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.473 ' HG1' ' H ' ' A' ' 34' ' ' THR 0.319 1.0 OUTLIER -70.82 -38.82 73.28 Favored 'General case' 0 N--CA 1.521 3.118 1 O-C-N 115.646 -4.409 . . . . 0.0 115.422 170.124 . . . . . . . . 5 4 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.375 3.1 mp -60.7 -27.08 67.62 Favored 'General case' 0 CA--C 1.428 -3.722 1 CA-C-O 109.608 -4.996 . . . . 0.0 106.376 166.896 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.29 29.2 mt-30 -50.33 -49.18 78.28 Favored Pre-proline 1 N--CA 1.545 4.295 1 CA-C-N 129.84 5.746 . . . . 0.0 108.715 170.716 . . . . . . . . 4 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.264 2.9 Cg_exo -70.0 -47.99 0.75 Allowed 'Trans proline' 0 CA--C 1.579 2.766 0 CA-C-N 125.476 2.992 . . . . 0.0 112.303 166.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.318 18.3 tt0 . . . . . 1 N--CA 1.54 4.044 1 O-C-N 114.846 -4.909 . . . . 0.0 100.719 -166.276 . . . . . . . . 3 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.287 3.04 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.282 9.8 pt-20 -57.55 -70.89 0.11 Allowed 'General case' 0 N--CA 1.53 3.564 1 CA-C-O 110.384 -4.627 . . . . 0.0 110.205 -173.899 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.308 51.6 tp10 -60.41 -63.7 3.96 Favored Pre-proline 0 N--CA 1.537 3.9 1 CA-C-O 111.67 -4.014 . . . . 0.0 112.74 -163.305 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.265 8.1 Cg_endo -72.9 -55.59 0.1 OUTLIER 'Trans proline' 0 N--CA 1.424 -2.599 1 CA-C-O 108.047 -5.064 . . . . 0.0 121.163 172.839 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.253 8.4 m -71.86 -36.84 70.25 Favored 'General case' 0 CA--C 1.601 2.917 0 CA-C-N 124.025 3.102 . . . . 0.0 118.96 -171.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.521 19.1 m -66.79 -27.67 67.76 Favored 'General case' 1 CA--C 1.642 4.495 0 CA-C-N 110.618 -2.992 . . . . 0.0 114.87 170.554 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -64.67 -46.96 80.23 Favored 'General case' 1 N--CA 1.613 7.72 0 O-C-N 118.684 -2.51 . . . . 0.0 107.821 173.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -68.93 -28.23 66.47 Favored 'General case' 0 C--N 1.363 1.174 0 O-C-N 120.902 -1.124 . . . . 0.0 112.899 172.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.378 0.1 OUTLIER -72.76 -28.14 62.44 Favored 'General case' 1 N--CA 1.568 5.451 1 CA-C-O 106.651 -6.404 . . . . 0.0 108.68 164.951 . . . . . . . . 5 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.459 44.1 m -59.52 -31.17 69.13 Favored 'General case' 2 C--N 1.238 -4.256 1 CA-C-N 127.969 4.895 . . . . 0.0 115.529 159.156 . . . . . . . . 4 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 1.525 ' C ' ' CA ' ' A' ' 14' ' ' ARG 0.445 2.7 mpt_? -66.46 -32.42 73.78 Favored 'General case' 2 CA--C 1.771 9.476 1 CA-C-O 110.494 -4.574 . . . . 0.0 102.504 162.025 . . . . . . . . 5 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.519 66.6 m170 -47.89 -33.84 8.09 Favored 'General case' 0 C--N 1.37 1.477 0 CA-C-N 123.167 2.712 . . . . 0.0 117.511 162.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -49.0 96.45 Favored Pre-proline 0 CA--C 1.486 -1.502 0 O-C-N 117.964 -2.96 . . . . 0.0 112.233 -167.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.445 3.6 Cg_exo -46.48 -68.99 0.09 OUTLIER 'Trans proline' 2 C--N 1.442 5.468 1 O-C-N 112.4 -4.579 . . . . 0.0 115.631 165.748 . . . . . . . . 4 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.384 4.5 pp -44.93 -46.18 10.85 Favored 'General case' 2 C--N 1.516 7.821 0 C-N-CA 126.103 1.761 . . . . 0.0 111.684 174.399 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.34 0.1 OUTLIER 55.0 14.98 1.03 Allowed 'General case' 0 C--O 1.285 2.925 1 N-CA-C 133.115 8.191 . . . . 0.0 133.115 174.117 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -92.25 -3.15 55.9 Favored 'General case' 2 CA--C 1.666 5.439 0 O-C-N 120.135 -1.603 . . . . 0.0 110.15 166.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.56 36.37 2.19 Favored 'General case' 0 N--CA 1.536 3.842 1 N-CA-C 122.315 4.191 . . . . 0.0 122.315 166.009 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.251 0.0 OUTLIER -62.3 -23.11 66.55 Favored 'General case' 1 C--O 1.306 4.063 1 CA-C-N 106.76 -4.746 . . . . 0.0 119.681 179.967 . . . . . . . . 5 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.454 17.7 p -91.86 -69.84 0.72 Allowed 'General case' 0 CA--C 1.438 -3.353 0 C-N-CA 129.525 3.13 . . . . 0.0 112.66 162.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.0 85.61 0.08 OUTLIER Glycine 1 C--N 1.427 5.63 0 CA-C-O 115.236 -2.98 . . . . 0.0 109.289 171.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -73.49 81.31 1.82 Allowed 'Trans proline' 1 CA--C 1.638 5.716 1 O-C-N 129.87 4.616 . . . . 0.0 117.196 179.514 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 1.546 ' CB ' ' CG ' ' A' ' 26' ' ' LEU . 5.1 mp -138.23 -78.22 0.36 Allowed 'General case' 1 CA--C 1.713 7.216 2 C-N-CA 133.753 4.821 . . . . 0.0 98.062 -175.304 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.507 ' SG ' ' CB ' ' A' ' 30' ' ' CYS . 22.3 p -125.47 162.34 45.05 Favored Pre-proline 0 N--CA 1.516 2.851 0 O-C-N 128.366 3.541 . . . . 0.0 120.428 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.298 7.1 Cg_endo -76.92 79.12 3.19 Favored 'Trans proline' 1 CA--C 1.648 6.2 0 C-N-CA 123.594 2.863 . . . . 0.0 116.323 -173.057 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.427 . . 48.89 43.28 21.44 Favored 'General case' 2 N--CA 1.602 7.133 0 CA-C-O 126.082 2.849 . . . . 0.0 117.118 177.846 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.507 ' CB ' ' SG ' ' A' ' 27' ' ' CYS 0.338 8.6 t -74.57 -7.34 52.81 Favored 'General case' 0 C--N 1.282 -2.365 1 CA-C-N 106.446 -4.888 . . . . 0.0 113.218 171.59 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -74.36 -49.32 23.23 Favored 'General case' 0 N--CA 1.414 -2.27 1 CA-C-O 110.547 -4.549 . . . . 0.0 104.433 173.381 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -63.07 -5.2 2.83 Favored 'General case' 1 N--CA 1.551 4.6 2 CA-C-N 127.553 4.706 . . . . 0.0 118.255 175.521 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.325 . . -83.14 -39.71 20.71 Favored 'General case' 0 N--CA 1.53 3.565 1 CA-C-O 111.03 -4.319 . . . . 0.0 112.945 166.059 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.7 m -47.3 -39.17 14.07 Favored 'General case' 0 N--CA 1.529 3.506 1 CA-C-O 109.941 -4.838 . . . . 0.0 113.75 168.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.269 5.1 mp -55.91 -38.98 70.95 Favored 'General case' 0 CA--C 1.611 3.292 1 O-C-N 132.834 6.334 . . . . 0.0 121.263 168.031 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.406 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 21.7 mt-30 -62.58 -52.84 62.24 Favored Pre-proline 0 CA--C 1.6 2.875 1 CA-C-N 126.953 4.433 . . . . 0.0 109.356 -176.442 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD3' ' HB2' ' A' ' 36' ' ' GLN . 7.7 Cg_endo -57.68 -26.08 71.16 Favored 'Trans proline' 0 C--N 1.409 3.741 1 O-C-N 111.638 -4.98 . . . . 0.0 115.177 164.066 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.299 3.2 pt-20 . . . . . 0 N--CA 1.493 1.706 0 CA-C-N 125.67 3.85 . . . . 0.0 109.19 167.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.315 9.6 t . . . . . 1 CA--C 1.727 7.752 0 CA-C-O 114.168 -2.825 . . . . 0.0 107.36 . . . . . . . . . 2 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.502 7.2 pt-20 -44.23 -74.4 0.04 OUTLIER 'General case' 1 C--N 1.45 4.948 0 N-CA-C 119.374 3.101 . . . . 0.0 119.374 -177.534 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.459 51.5 tp10 -57.49 -65.34 1.84 Allowed Pre-proline 1 C--N 1.49 6.716 0 CA-C-O 115.756 -2.069 . . . . 0.0 111.779 -167.59 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -75.8 -58.18 0.05 OUTLIER 'Trans proline' 0 N--CA 1.531 3.732 1 CA-C-O 107.232 -5.403 . . . . 0.0 120.48 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.257 6.3 m -67.06 -40.08 87.01 Favored 'General case' 0 C--N 1.39 2.338 0 CA-C-N 125.176 3.625 . . . . 0.0 112.899 -172.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.498 ' SG ' ' NE ' ' A' ' 12' ' ' ARG 0.495 33.4 m -65.24 -32.37 74.01 Favored 'General case' 1 CA--C 1.666 5.423 0 C-N-CA 130.731 3.612 . . . . 0.0 113.829 175.501 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.301 34.1 ttt-85 -65.46 -59.04 4.41 Favored 'General case' 0 N--CA 1.53 3.536 0 CA-C-O 115.101 -2.38 . . . . 0.0 110.593 170.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -52.3 -37.41 55.68 Favored 'General case' 1 N--CA 1.666 10.369 0 O-C-N 126.506 2.379 . . . . 0.0 109.686 165.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.498 ' NE ' ' SG ' ' A' ' 9' ' ' CYS 0.824 1.2 ttp-105 -54.82 -40.16 69.25 Favored 'General case' 0 C--O 1.178 -2.694 0 N-CA-C 117.978 2.585 . . . . 0.0 117.978 162.524 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.358 45.1 m -63.67 -25.21 68.11 Favored 'General case' 1 N--CA 1.554 4.74 0 O-C-N 117.752 -3.092 . . . . 0.0 111.1 166.684 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -72.54 -25.01 61.21 Favored 'General case' 1 CA--C 1.685 6.141 0 O-C-N 117.118 -3.489 . . . . 0.0 108.58 164.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.3 59.2 m170 -54.26 -25.0 20.94 Favored 'General case' 1 C--N 1.428 4.001 0 O-C-N 119.497 -2.002 . . . . 0.0 114.38 161.908 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.269 0.2 OUTLIER -53.42 -56.67 22.21 Favored Pre-proline 0 N--CA 1.49 1.54 1 CA-C-O 107.788 -5.863 . . . . 0.0 112.182 -175.797 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -54.41 -56.09 2.8 Favored 'Trans proline' 1 CA--C 1.693 8.459 1 CA-C-O 110.177 -4.176 . . . . 0.0 117.763 175.423 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.578 4.5 pp -44.46 -44.69 8.68 Favored 'General case' 0 C--N 1.413 3.368 1 O-C-N 131.879 5.737 . . . . 0.0 119.645 169.643 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 1.463 ' NE2' HE22 ' A' ' 19' ' ' GLN 0.406 0.4 OUTLIER 63.83 3.11 1.5 Allowed 'General case' 1 CA--C 1.662 5.277 1 N-CA-C 125.388 5.329 . . . . 0.0 125.388 163.383 . . . . . . . . 6 4 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.319 11.9 p90 -79.67 -14.88 58.47 Favored 'General case' 1 CA--C 1.657 5.062 0 CA-C-O 117.089 -1.434 . . . . 0.0 114.644 166.929 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 1.566 ' CA ' ' HA ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -104.07 46.25 0.93 Allowed 'General case' 2 N--CA 1.564 5.234 0 CA-C-O 127.059 3.314 . . . . 0.0 116.015 169.154 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.593 0.0 OUTLIER -56.65 -34.84 67.72 Favored 'General case' 1 N--CA 1.543 4.213 0 CA-C-N 110.36 -3.109 . . . . 0.0 116.796 172.587 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 p -109.49 -66.49 1.06 Allowed 'General case' 0 CA--C 1.619 3.6 3 O-C-N 130.698 4.999 . . . . 0.0 98.088 -170.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.79 103.27 0.02 OUTLIER Glycine 3 CA--C 1.609 5.914 1 N-CA-C 101.832 -4.507 . . . . 0.0 101.832 166.978 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -94.55 84.44 0.13 Allowed 'Trans proline' 1 C--N 1.449 5.817 0 C-N-CA 124.025 3.15 . . . . 0.0 109.99 -178.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -137.1 -75.05 0.42 Allowed 'General case' 1 CA--C 1.645 4.613 1 N-CA-C 96.423 -5.399 . . . . 0.0 96.423 172.538 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.545 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 31.9 p -118.36 163.29 25.95 Favored Pre-proline 0 CA--C 1.462 -2.44 2 O-C-N 112.207 -6.558 . . . . 0.0 112.821 -167.795 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -82.89 76.02 4.25 Favored 'Trans proline' 2 N--CA 1.652 10.821 0 O-C-N 115.025 -3.197 . . . . 0.0 117.013 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.47 . . 60.63 39.42 17.78 Favored 'General case' 2 N--CA 1.648 9.452 1 CA-C-O 135.543 7.354 . . . . 0.0 116.442 170.845 . . . . . . . . 4 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.545 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.544 17.1 t -79.32 -3.13 44.66 Favored 'General case' 1 CA--C 1.646 4.646 1 CA-C-N 105.223 -5.444 . . . . 0.0 109.386 176.551 . . . . . . . . 5 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -53.78 18.07 Favored 'General case' 0 C--O 1.185 -2.312 0 N-CA-C 103.057 -2.942 . . . . 0.0 103.057 171.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -55.71 -25.44 40.15 Favored 'General case' 0 CA--C 1.623 3.755 1 CA-C-N 128.113 4.96 . . . . 0.0 113.35 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.406 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.364 . . -63.26 -45.6 90.75 Favored 'General case' 1 C--N 1.503 7.253 0 CA-C-O 112.026 -3.845 . . . . 0.0 116.134 169.718 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 m -49.23 -39.01 28.39 Favored 'General case' 1 N--CA 1.545 4.284 1 O-C-N 129.479 4.237 . . . . 0.0 117.111 172.292 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -56.37 -43.7 79.45 Favored 'General case' 0 CA--C 1.61 3.263 0 O-C-N 128.952 3.908 . . . . 0.0 111.727 169.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -66.7 -52.94 31.06 Favored Pre-proline 2 N--CA 1.558 4.974 2 CA-C-N 131.923 6.692 . . . . 0.0 105.765 -170.442 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.288 1.7 Cg_endo -52.28 -23.76 19.07 Favored 'Trans proline' 1 CA--C 1.64 5.811 1 C-N-CA 125.62 4.213 . . . . 0.0 110.541 167.489 . . . . . . . . 5 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.661 2.2 pt-20 . . . . . 0 N--CA 1.535 3.786 0 CA-C-O 114.447 -2.692 . . . . 0.0 106.918 172.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.38 2.6 t . . . . . 0 C--O 1.181 -2.542 0 N-CA-C 120.214 3.412 . . . . 0.0 120.214 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.327 2.9 pt-20 -61.87 -61.42 2.51 Favored 'General case' 1 N--CA 1.628 8.464 0 O-C-N 128.812 3.82 . . . . 0.0 120.189 -175.587 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -68.66 -58.49 6.82 Favored Pre-proline 0 CA--C 1.598 2.799 0 O-C-N 116.734 -3.729 . . . . 0.0 107.805 -173.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.387 52.6 Cg_endo -70.79 -61.32 0.05 OUTLIER 'Trans proline' 0 CA--C 1.592 3.402 2 O-C-N 111.991 -4.794 . . . . 0.0 122.005 -178.529 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 m -68.96 -42.0 77.22 Favored 'General case' 0 N--CA 1.531 3.598 0 CA-C-O 114.194 -2.812 . . . . 0.0 114.211 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.581 99.9 m -62.05 -40.23 95.06 Favored 'General case' 0 N--CA 1.526 3.354 1 O-C-N 131.621 5.575 . . . . 0.0 114.506 169.191 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -63.22 -60.57 3.23 Favored 'General case' 2 N--CA 1.573 5.695 1 CA-C-O 111.656 -4.021 . . . . 0.0 110.855 166.379 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -49.9 -33.87 18.63 Favored 'General case' 0 N--CA 1.519 2.997 1 CA-C-N 126.467 4.212 . . . . 0.0 113.557 167.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 1.481 ' CA ' ' C ' ' A' ' 12' ' ' ARG 0.312 0.2 OUTLIER -65.35 -33.24 75.5 Favored 'General case' 2 CA--C 1.799 10.548 0 O-C-N 118.139 -2.85 . . . . 0.0 106.542 169.164 . . . . . . . . 5 4 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.315 40.1 m -64.68 -27.82 69.19 Favored 'General case' 0 C--N 1.376 1.739 0 C-N-CA 112.539 -3.665 . . . . 0.0 113.553 169.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.409 2.6 mpt_? -59.71 -25.93 65.2 Favored 'General case' 1 CA--C 1.633 4.161 0 CA-C-O 126.253 2.93 . . . . 0.0 115.119 161.489 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -62.4 -24.14 67.23 Favored 'General case' 0 N--CA 1.505 2.324 1 O-C-N 115.056 -4.778 . . . . 0.0 114.44 165.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.36 0.3 OUTLIER -50.84 -47.71 85.46 Favored Pre-proline 0 CA--C 1.567 1.596 0 C-N-CA 125.123 1.369 . . . . 0.0 111.271 -176.454 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.506 10.8 Cg_endo -56.85 -50.45 11.53 Favored 'Trans proline' 2 N--CA 1.603 7.932 2 O-C-N 111.342 -5.136 . . . . 0.0 109.89 167.283 . . . . . . . . 4 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.315 4.6 pp -63.07 -44.59 95.39 Favored 'General case' 1 N--CA 1.564 5.227 1 O-C-N 109.989 -7.944 . . . . 0.0 112.484 -171.673 . . . . . . . . 4 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 1.416 ' NE2' HE22 ' A' ' 19' ' ' GLN . 0.0 OUTLIER 65.31 7.64 4.37 Favored 'General case' 0 C--N 1.423 3.77 2 O-C-N 130.695 4.997 . . . . 0.0 121.878 170.881 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -88.03 4.17 46.13 Favored 'General case' 0 N--CA 1.523 3.186 1 CA-C-O 111.414 -4.136 . . . . 0.0 115.923 170.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.48 43.33 1.25 Allowed 'General case' 0 CA--C 1.602 2.955 0 CA-C-N 121.346 1.885 . . . . 0.0 111.009 164.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -34.1 68.07 Favored 'General case' 0 CA--C 1.62 3.657 0 N-CA-C 119.525 3.157 . . . . 0.0 119.525 170.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -97.28 -79.09 0.46 Allowed 'General case' 0 N--CA 1.537 3.875 1 N-CA-C 99.293 -4.336 . . . . 0.0 99.293 178.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.13 95.71 0.65 Allowed Glycine 1 N--CA 1.562 7.088 0 CA-C-O 113.832 -3.76 . . . . 0.0 119.348 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -102.4 69.7 0.03 OUTLIER 'Trans proline' 0 N--CA 1.505 2.168 1 CA-C-N 128.318 6.059 . . . . 0.0 116.636 -161.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -120.83 -72.4 0.69 Allowed 'General case' 1 CA--C 1.673 5.679 1 CA-C-N 105.363 -5.38 . . . . 0.0 105.585 174.912 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 29.9 p -126.42 140.16 36.52 Favored Pre-proline 2 CA--C 1.698 6.64 1 CA-C-O 108.013 -5.756 . . . . 0.0 117.449 -176.816 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.277 24.2 Cg_endo -54.24 80.53 0.03 OUTLIER 'Trans proline' 0 CA--C 1.581 2.834 1 N-CA-C 125.738 5.245 . . . . 0.0 125.738 -177.263 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 1.464 ' CA ' ' C ' ' A' ' 29' ' ' ALA 0.283 . . 46.35 56.53 6.22 Favored 'General case' 1 CA--C 1.837 12.0 0 O-C-N 126.375 2.297 . . . . 0.0 105.681 171.3 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.664 ' N ' ' CA ' ' A' ' 29' ' ' ALA 0.482 49.6 t -78.85 -11.17 59.98 Favored 'General case' 0 N--CA 1.52 3.059 2 CA-C-N 106.763 -4.744 . . . . 0.0 112.746 166.468 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.413 1.7 tmm? -59.33 -49.36 78.11 Favored 'General case' 0 CA--C 1.611 3.3 0 N-CA-C 118.458 2.762 . . . . 0.0 118.458 167.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -65.76 -22.8 66.62 Favored 'General case' 1 N--CA 1.559 5.002 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 169.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.298 . . -67.05 -37.47 84.12 Favored 'General case' 1 N--CA 1.549 4.52 0 O-C-N 119.176 -2.203 . . . . 0.0 115.912 165.839 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 m -61.47 -35.08 76.62 Favored 'General case' 2 N--CA 1.58 6.042 0 CA-C-N 120.935 1.698 . . . . 0.0 111.941 176.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.581 ' C ' ' CA ' ' A' ' 36' ' ' GLN . 2.6 mp -61.02 -43.88 98.24 Favored 'General case' 0 C--O 1.264 1.851 0 CA-C-N 111.532 -2.576 . . . . 0.0 113.391 171.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 1.503 ' N ' ' CA ' ' A' ' 36' ' ' GLN 0.668 0.0 OUTLIER -54.15 -54.21 50.16 Favored Pre-proline 1 N--CA 1.71 12.567 0 CA-C-N 125.55 3.796 . . . . 0.0 117.225 173.968 . . . . . . . . 5 4 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.328 9.4 Cg_endo -59.61 -30.03 91.31 Favored 'Trans proline' 1 C--N 1.465 6.672 0 C-N-CA 124.121 3.214 . . . . 0.0 116.038 161.951 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.308 3.8 pt-20 . . . . . 2 CA--C 1.708 7.021 0 C-N-CA 112.748 -3.581 . . . . 0.0 114.581 160.227 . . . . . . . . 2 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.614 3.405 0 N-CA-C 118.911 2.93 . . . . 0.0 118.911 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.58 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.397 13.1 pt-20 -56.6 -56.33 22.69 Favored 'General case' 1 N--CA 1.373 -4.309 1 CA-C-N 107.627 -4.351 . . . . 0.0 115.355 -166.774 . . . . . . . . 5 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.334 5.9 tp10 -73.46 -65.18 0.68 Allowed Pre-proline 1 N--CA 1.561 5.121 1 CA-C-O 111.155 -4.259 . . . . 0.0 109.591 -175.004 . . . . . . . . 4 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -60.02 -63.93 0.11 Allowed 'Trans proline' 0 CA--C 1.576 2.592 0 N-CA-C 122.324 3.932 . . . . 0.0 122.324 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 m -64.47 -51.3 63.72 Favored 'General case' 0 C--O 1.296 3.535 0 C-N-CA 130.26 3.424 . . . . 0.0 114.889 -176.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.1 m -67.82 -35.47 78.66 Favored 'General case' 0 N--CA 1.51 2.539 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 170.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -58.65 -38.72 78.75 Favored 'General case' 1 N--CA 1.619 7.994 0 CA-C-O 111.886 -3.912 . . . . 0.0 111.271 168.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.391 3.1 m-80 -63.98 -37.29 86.89 Favored 'General case' 0 C--O 1.273 2.339 0 CA-C-N 121.778 2.081 . . . . 0.0 115.095 173.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.396 0.2 OUTLIER -55.53 -36.74 67.09 Favored 'General case' 0 C--O 1.182 -2.473 0 O-C-N 127.336 2.897 . . . . 0.0 115.121 165.239 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.4 1.5 m -54.92 -34.57 63.28 Favored 'General case' 1 CA--C 1.645 4.6 0 CA-C-N 121.749 2.068 . . . . 0.0 112.892 166.628 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.491 0.7 OUTLIER -62.24 -31.82 72.43 Favored 'General case' 1 CA--C 1.658 5.112 0 C-N-CA 128.987 2.915 . . . . 0.0 107.246 173.476 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.307 18.1 m170 -66.4 -22.3 66.24 Favored 'General case' 1 N--CA 1.569 5.517 0 CA-C-O 112.597 -3.573 . . . . 0.0 113.368 165.519 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -38.82 72.71 Favored Pre-proline 2 N--CA 1.622 8.17 1 CA-C-O 110.126 -4.75 . . . . 0.0 110.996 -179.812 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -70.45 -26.75 24.0 Favored 'Trans proline' 0 CA--C 1.568 2.207 1 CA-C-O 103.153 -7.103 . . . . 0.0 115.376 161.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.547 HD13 ' H ' ' A' ' 20' ' ' PHE 0.264 3.9 pp -70.71 -40.05 73.06 Favored 'General case' 1 N--CA 1.636 8.849 2 CA-C-N 129.156 5.434 . . . . 0.0 113.703 172.24 . . . . . . . . 5 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.495 0.0 OUTLIER 69.86 15.05 7.95 Favored 'General case' 1 N--CA 1.565 5.277 1 CA-C-N 107.915 -4.22 . . . . 0.0 111.367 164.122 . . . . . . . . 5 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.547 ' H ' HD13 ' A' ' 18' ' ' LEU . 2.9 p90 -100.27 -2.08 34.69 Favored 'General case' 0 C--N 1.422 3.741 2 CA-C-N 127.076 4.489 . . . . 0.0 122.177 173.539 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.283 40.4 t -116.82 55.63 0.82 Allowed 'General case' 0 CA--C 1.606 3.117 0 CA-C-O 115.215 -2.326 . . . . 0.0 108.187 169.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -54.07 12.32 Favored 'General case' 0 N--CA 1.527 3.408 1 CA-C-O 132.806 6.05 . . . . 0.0 110.933 167.566 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.3 p -82.98 -74.84 0.34 Allowed 'General case' 0 C--N 1.424 3.846 1 O-C-N 114.798 -4.939 . . . . 0.0 102.515 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.86 109.98 0.01 OUTLIER Glycine 1 N--CA 1.56 6.966 1 CA-C-O 110.375 -5.681 . . . . 0.0 117.786 -166.008 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.36 0.5 OUTLIER -90.83 62.04 1.39 Allowed 'Trans proline' 0 CA--C 1.58 2.807 1 CA-C-N 125.408 4.604 . . . . 0.0 118.038 -172.375 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mp -126.69 -71.7 0.67 Allowed 'General case' 0 C--O 1.282 2.793 0 N-CA-C 103.374 -2.825 . . . . 0.0 103.374 -173.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 1.536 ' CA ' ' C ' ' A' ' 27' ' ' CYS . 13.3 p -115.87 145.26 34.35 Favored Pre-proline 1 CA--C 1.756 8.881 0 O-C-N 118.004 -2.935 . . . . 0.0 115.224 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -85.62 72.03 4.38 Favored 'Trans proline' 1 N--CA 1.594 7.427 0 C-N-CA 123.029 2.486 . . . . 0.0 116.643 -161.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.414 . . 69.6 56.91 0.34 Allowed 'General case' 0 CA--C 1.575 1.907 0 O-C-N 116.426 -3.922 . . . . 0.0 111.871 -175.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' A' ' 5' ' ' GLU 0.411 42.3 t -91.09 -6.58 53.54 Favored 'General case' 1 N--CA 1.571 5.582 0 O-C-N 116.72 -3.738 . . . . 0.0 114.236 175.709 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.6 tmm? -63.76 -43.83 95.24 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 129.365 3.066 . . . . 0.0 112.06 175.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -53.11 -42.45 65.99 Favored 'General case' 0 C--N 1.403 2.925 0 O-C-N 126.511 2.382 . . . . 0.0 113.454 168.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.497 ' O ' ' HD2' ' A' ' 37' ' ' PRO . . . -55.65 -35.74 66.29 Favored 'General case' 0 N--CA 1.498 1.933 2 O-C-N 110.044 -7.91 . . . . 0.0 120.416 169.346 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.255 22.5 m -63.35 -39.4 94.43 Favored 'General case' 0 N--CA 1.53 3.531 0 C-N-CA 124.074 0.95 . . . . 0.0 112.31 168.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mp -59.79 -43.99 94.16 Favored 'General case' 0 C--N 1.383 2.03 1 CA-C-O 110.488 -4.577 . . . . 0.0 111.028 178.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -69.45 -42.06 19.12 Favored Pre-proline 1 CA--C 1.643 4.548 1 CA-C-N 131.366 6.439 . . . . 0.0 115.576 174.282 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.497 ' HD2' ' O ' ' A' ' 33' ' ' ALA . 2.5 Cg_endo -70.72 -10.86 28.65 Favored 'Trans proline' 2 CA--C 1.705 9.05 0 CA-C-N 127.149 3.589 . . . . 0.0 118.588 169.19 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.453 11.9 pt-20 . . . . . 1 C--O 1.309 4.207 2 O-C-N 137.888 9.492 . . . . 0.0 113.696 162.113 . . . . . . . . 3 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 2 C--O 1.317 4.617 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.533 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.334 10.0 pt-20 -57.79 -51.97 67.37 Favored 'General case' 0 N--CA 1.537 3.89 0 O-C-N 126.068 2.105 . . . . 0.0 107.958 -163.477 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.524 4.9 tp10 -74.62 -55.57 2.58 Favored Pre-proline 0 N--CA 1.534 3.763 2 O-C-N 113.382 -5.824 . . . . 0.0 117.235 -173.56 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -69.61 -65.07 0.04 OUTLIER 'Trans proline' 1 N--CA 1.596 7.55 0 N-CA-C 118.916 2.622 . . . . 0.0 118.916 176.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.295 0.3 OUTLIER -53.9 -55.0 30.91 Favored 'General case' 0 C--N 1.403 2.93 0 N-CA-C 119.271 3.063 . . . . 0.0 119.271 179.026 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.2 m -71.39 -34.78 70.7 Favored 'General case' 0 C--O 1.301 3.782 1 O-C-N 130.028 4.58 . . . . 0.0 110.375 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.3 ttt-85 -58.21 -34.47 70.43 Favored 'General case' 0 C--N 1.396 2.602 2 O-C-N 112.557 -6.339 . . . . 0.0 111.548 171.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -71.01 -36.25 72.35 Favored 'General case' 1 N--CA 1.552 4.675 0 CA-C-O 116.309 -1.805 . . . . 0.0 107.296 174.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.461 0.2 OUTLIER -56.29 -34.54 66.56 Favored 'General case' 0 C--O 1.274 2.376 0 CA-C-O 113.252 -3.261 . . . . 0.0 114.908 167.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -61.92 -24.12 66.77 Favored 'General case' 0 N--CA 1.524 3.271 1 CA-C-N 126.684 4.311 . . . . 0.0 117.204 163.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 14' ' ' ARG . 1.6 mtt180 -69.44 -29.74 67.52 Favored 'General case' 0 C--O 1.288 3.102 0 O-C-N 119.432 -2.042 . . . . 0.0 109.147 165.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.341 19.3 m170 -55.76 -30.93 62.06 Favored 'General case' 0 C--N 1.413 3.363 0 CA-C-N 122.539 2.427 . . . . 0.0 116.831 160.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.332 2.3 tt -47.58 -31.1 1.85 Allowed Pre-proline 1 C--N 1.433 4.239 0 C-N-CA 127.477 2.311 . . . . 0.0 113.092 -177.208 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -73.19 -38.67 2.58 Favored 'Trans proline' 0 CA--C 1.498 -1.315 1 C-N-CA 129.432 6.755 . . . . 0.0 115.531 161.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.402 HD13 ' H ' ' A' ' 20' ' ' PHE . 3.1 pp -69.26 -38.09 78.26 Favored 'General case' 2 CA--C 1.695 6.536 1 CA-C-N 126.245 4.112 . . . . 0.0 105.569 176.472 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.281 0.0 OUTLIER 61.21 24.06 14.2 Favored 'General case' 0 CA--C 1.623 3.78 0 C-N-CA 128.999 2.92 . . . . 0.0 113.644 168.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.402 ' H ' HD13 ' A' ' 18' ' ' LEU 0.445 1.4 p90 -95.84 -16.34 21.91 Favored 'General case' 1 N--CA 1.578 5.972 0 N-CA-C 121.057 3.725 . . . . 0.0 121.057 171.429 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.309 28.6 t -109.92 48.07 0.91 Allowed 'General case' 0 N--CA 1.518 2.969 0 N-CA-C 120.018 3.34 . . . . 0.0 120.018 169.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.276 0.0 OUTLIER -50.37 -51.0 49.81 Favored 'General case' 1 C--N 1.463 5.527 0 CA-C-N 110.71 -2.95 . . . . 0.0 110.853 177.574 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -81.32 -70.08 0.56 Allowed 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 108.677 -3.874 . . . . 0.0 103.633 173.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.03 120.16 0.02 OUTLIER Glycine 1 CA--C 1.614 6.262 2 CA-C-O 111.499 -5.056 . . . . 0.0 114.305 -165.345 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -101.84 55.81 0.03 OUTLIER 'Trans proline' 0 N--CA 1.528 3.526 1 CA-C-N 132.276 8.038 . . . . 0.0 112.084 -176.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mp -115.53 -60.9 1.82 Allowed 'General case' 0 CA--C 1.595 2.675 0 CA-C-O 123.572 1.653 . . . . 0.0 111.797 174.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.0 p -119.56 117.64 32.69 Favored Pre-proline 1 N--CA 1.593 6.689 0 CA-C-N 111.11 -2.768 . . . . 0.0 114.804 -177.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -58.58 75.12 0.04 OUTLIER 'Trans proline' 2 C--N 1.49 8.011 2 C-N-CA 129.462 6.775 . . . . 0.0 125.715 -172.936 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 1.544 ' CA ' ' C ' ' A' ' 29' ' ' ALA 0.409 . . 62.06 57.14 2.13 Favored 'General case' 2 CA--C 1.741 8.318 0 CA-C-O 124.212 1.958 . . . . 0.0 111.655 -175.539 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 5' ' ' GLU 0.374 19.4 t -94.73 -2.16 51.63 Favored 'General case' 1 N--CA 1.54 4.054 0 O-C-N 118.992 -2.317 . . . . 0.0 111.885 176.85 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.264 4.9 tmm? -68.64 -37.56 79.78 Favored 'General case' 0 C--N 1.421 3.716 0 O-C-N 118.384 -2.698 . . . . 0.0 113.265 176.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -63.08 -30.98 72.02 Favored 'General case' 1 CA--C 1.7 6.741 0 O-C-N 128.081 3.363 . . . . 0.0 108.643 176.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.65 -30.09 67.7 Favored 'General case' 1 N--CA 1.607 7.388 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 174.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.257 6.6 m -68.92 -36.12 77.63 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 169.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mp -65.75 -31.31 72.22 Favored 'General case' 0 N--CA 1.502 2.149 1 CA-C-O 109.847 -4.882 . . . . 0.0 114.512 177.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -70.82 -46.57 16.29 Favored Pre-proline 2 CA--C 1.67 5.567 0 CA-C-N 125.716 3.871 . . . . 0.0 119.827 163.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -67.72 -9.01 24.09 Favored 'Trans proline' 0 CA--C 1.469 -2.729 1 N-CA-C 125.231 5.05 . . . . 0.0 125.231 167.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.387 9.4 pt-20 . . . . . 0 CA--C 1.601 2.907 0 O-C-N 120.111 -1.618 . . . . 0.0 114.022 156.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.197 -1.709 0 CA-C-O 126.201 2.905 . . . . 0.0 116.961 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.561 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.424 9.1 pt-20 -48.65 -60.25 2.87 Favored 'General case' 1 N--CA 1.548 4.451 0 CA-C-N 109.969 -3.287 . . . . 0.0 112.714 -168.686 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.604 4.6 tp10 -65.05 -59.66 9.6 Favored Pre-proline 1 N--CA 1.561 5.11 2 O-C-N 114.712 -4.992 . . . . 0.0 113.816 -172.412 . . . . . . . . 4 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -77.19 -64.01 0.03 OUTLIER 'Trans proline' 0 CA--C 1.591 3.355 1 C-N-CA 126.292 4.661 . . . . 0.0 111.463 -174.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.261 0.2 OUTLIER -56.74 -48.98 76.58 Favored 'General case' 0 N--CA 1.511 2.599 1 N-CA-C 122.239 4.162 . . . . 0.0 122.239 -176.96 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.462 19.7 m -67.87 -40.09 83.66 Favored 'General case' 0 C--O 1.193 -1.909 1 C-N-CA 133.239 4.616 . . . . 0.0 115.102 172.832 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.4 ttt-85 -60.16 -45.6 92.54 Favored 'General case' 0 C--N 1.424 3.815 0 C-N-CA 117.365 -1.734 . . . . 0.0 110.215 168.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 1.509 ' HB3' ' CB ' ' A' ' 11' ' ' ASN . 18.5 m-80 -61.09 -38.32 85.87 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 121.777 2.08 . . . . 0.0 109.418 171.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.472 0.2 OUTLIER -54.1 -38.02 64.92 Favored 'General case' 2 N--CA 1.568 5.469 0 CA-C-O 115.083 -2.389 . . . . 0.0 114.522 168.956 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.328 1.3 m -56.92 -42.94 80.87 Favored 'General case' 0 N--CA 1.529 3.495 0 O-C-N 124.89 1.369 . . . . 0.0 113.668 170.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.465 2.9 mtt180 -45.83 -40.51 9.89 Favored 'General case' 1 N--CA 1.556 4.841 0 C-N-CA 112.43 -3.708 . . . . 0.0 117.037 160.179 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -61.45 -24.34 66.49 Favored 'General case' 0 CA--C 1.624 3.821 1 O-C-N 130.739 5.024 . . . . 0.0 114.847 173.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.4 2.9 tt -47.21 -38.09 12.93 Favored Pre-proline 1 C--N 1.45 4.955 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -176.878 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.26 -39.69 22.05 Favored 'Trans proline' 1 CA--C 1.608 4.176 0 N-CA-C 119.412 2.812 . . . . 0.0 119.412 165.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.328 2.9 pp -63.24 -36.29 83.18 Favored 'General case' 1 CA--C 1.696 6.573 0 O-C-N 116.864 -3.648 . . . . 0.0 109.653 168.029 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 46.47 37.88 4.81 Favored 'General case' 0 C--O 1.266 1.963 0 N-CA-C 120.266 3.432 . . . . 0.0 120.266 177.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.466 4.0 p90 -104.52 -22.51 13.27 Favored 'General case' 1 N--CA 1.643 9.19 0 CA-C-O 114.439 -2.696 . . . . 0.0 113.318 173.67 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.508 13.5 t -100.14 43.7 1.05 Allowed 'General case' 0 C--O 1.302 3.82 0 O-C-N 128.64 3.713 . . . . 0.0 120.19 169.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.328 0.0 OUTLIER -51.71 -61.15 2.43 Favored 'General case' 1 CA--C 1.651 4.852 0 CA-C-N 109.599 -3.455 . . . . 0.0 109.945 -179.475 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.339 46.0 p -64.18 -61.97 1.92 Allowed 'General case' 0 C--N 1.377 1.769 2 O-C-N 134.471 7.357 . . . . 0.0 114.617 162.586 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.92 128.09 0.02 OUTLIER Glycine 1 CA--C 1.658 9.025 0 CA-C-O 114.948 -3.14 . . . . 0.0 107.971 -173.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -112.81 57.16 0.0 OUTLIER 'Trans proline' 2 N--CA 1.63 9.552 2 CA-C-N 130.155 6.978 . . . . 0.0 108.781 176.62 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.72 -61.94 1.67 Allowed 'General case' 2 CA--C 1.663 5.313 0 O-C-N 126.154 2.159 . . . . 0.0 110.037 167.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . 0.318 1.6 p -115.49 110.61 44.74 Favored Pre-proline 0 N--CA 1.529 3.514 0 O-C-N 128.642 3.714 . . . . 0.0 115.631 -175.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER -56.65 82.86 0.04 OUTLIER 'Trans proline' 2 N--CA 1.548 4.699 1 N-CA-C 131.19 7.342 . . . . 0.0 131.19 -176.106 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 1.512 ' CA ' ' C ' ' A' ' 29' ' ' ALA . . . 48.78 65.96 1.22 Allowed 'General case' 1 CA--C 1.77 9.439 0 O-C-N 128.909 3.881 . . . . 0.0 112.004 -168.705 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.572 ' N ' ' CA ' ' A' ' 29' ' ' ALA . 5.2 t -86.27 -11.68 51.62 Favored 'General case' 0 N--CA 1.527 3.395 0 C-N-CA 130.265 3.426 . . . . 0.0 109.731 172.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.309 5.0 tmm? -79.64 -28.37 40.86 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 126.131 2.144 . . . . 0.0 113.244 -175.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.326 8.0 pttt -62.65 -29.05 70.34 Favored 'General case' 1 CA--C 1.665 5.368 0 C-N-CA 125.52 1.528 . . . . 0.0 114.308 166.714 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.24 -34.17 65.72 Favored 'General case' 1 CA--C 1.691 6.396 1 O-C-N 130.346 4.779 . . . . 0.0 114.262 175.259 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.366 1.3 m -59.24 -46.04 89.55 Favored 'General case' 0 CA--C 1.627 3.937 0 CA-C-O 125.68 2.657 . . . . 0.0 113.302 169.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.682 ' C ' ' CA ' ' A' ' 36' ' ' GLN . 6.5 mp -55.39 -37.72 67.96 Favored 'General case' 0 C--O 1.292 3.329 0 N-CA-C 119.183 3.031 . . . . 0.0 119.183 174.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 1.532 ' N ' ' CA ' ' A' ' 36' ' ' GLN . 58.0 mt-30 -64.62 -68.23 0.84 Allowed Pre-proline 2 N--CA 1.676 10.863 0 C-N-CA 116.783 -1.967 . . . . 0.0 114.103 165.004 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -50.48 -18.5 3.8 Favored 'Trans proline' 0 C--N 1.388 2.611 2 C-N-CA 128.686 6.257 . . . . 0.0 116.582 176.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.353 13.0 pt-20 . . . . . 0 C--O 1.303 3.912 1 CA-C-O 130.141 4.781 . . . . 0.0 110.054 161.284 . . . . . . . . 2 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 C--O 1.269 2.101 0 N-CA-C 120.457 3.503 . . . . 0.0 120.457 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.358 11.5 pt-20 -50.8 -63.99 0.95 Allowed 'General case' 0 C--N 1.259 -3.367 0 CA-C-N 123.414 2.825 . . . . 0.0 117.878 -170.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -68.99 -55.67 10.16 Favored Pre-proline 2 CA--C 1.692 6.43 1 CA-C-O 109.205 -5.188 . . . . 0.0 113.536 -176.306 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -71.14 -56.82 0.11 Allowed 'Trans proline' 0 CA--C 1.559 1.733 0 O-C-N 126.163 2.665 . . . . 0.0 114.418 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -69.85 -45.86 66.85 Favored 'General case' 1 CA--C 1.721 7.556 0 C-N-CA 125.785 1.634 . . . . 0.0 114.502 -162.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.404 ' HG ' ' HE ' ' A' ' 12' ' ' ARG 0.377 5.5 m -73.01 -37.41 66.97 Favored 'General case' 2 N--CA 1.585 6.297 3 O-C-N 134.004 7.065 . . . . 0.0 114.907 171.288 . . . . . . . . 5 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -55.94 -52.27 64.72 Favored 'General case' 1 N--CA 1.575 5.821 0 N-CA-C 117.383 2.364 . . . . 0.0 117.383 159.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -55.84 -36.87 68.0 Favored 'General case' 0 CA--C 1.605 3.058 0 CA-C-N 119.779 1.172 . . . . 0.0 113.807 162.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.404 ' HE ' ' HG ' ' A' ' 9' ' ' CYS 0.367 0.6 OUTLIER -58.02 -33.69 69.22 Favored 'General case' 2 N--CA 1.595 6.786 1 O-C-N 116.249 -4.032 . . . . 0.0 117.548 166.601 . . . . . . . . 6 4 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.2 m -63.15 -34.21 77.13 Favored 'General case' 1 CA--C 1.673 5.701 1 O-C-N 116.222 -4.049 . . . . 0.0 113.345 174.051 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.259 1.3 mtt180 -55.54 -29.18 58.47 Favored 'General case' 0 N--CA 1.404 -2.766 0 C-N-CA 117.273 -1.771 . . . . 0.0 115.184 159.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.356 19.0 m170 -66.16 -27.89 68.36 Favored 'General case' 1 CA--C 1.651 4.836 0 CA-C-O 114.956 -2.449 . . . . 0.0 110.132 169.843 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.409 ' H ' ' HD2' ' A' ' 17' ' ' PRO 0.264 0.7 OUTLIER -48.98 -35.43 10.15 Favored Pre-proline 2 N--CA 1.566 5.368 0 CA-C-O 113.056 -3.354 . . . . 0.0 108.504 -172.233 . . . . . . . . 5 4 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HD2' ' H ' ' A' ' 16' ' ' LEU . 56.5 Cg_endo -70.58 -33.6 13.24 Favored 'Trans proline' 1 CA--C 1.714 9.5 1 C-N-CA 130.151 7.234 . . . . 0.0 117.44 170.444 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.458 2.6 pp -67.57 -40.36 84.89 Favored 'General case' 0 N--CA 1.524 3.253 0 CA-C-O 114.409 -2.71 . . . . 0.0 110.764 158.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 42.14 41.7 2.15 Favored 'General case' 1 N--CA 1.597 6.897 1 N-CA-C 123.177 4.51 . . . . 0.0 123.177 -177.089 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -111.04 -18.04 13.13 Favored 'General case' 1 C--N 1.445 4.751 0 O-C-N 120.598 -1.314 . . . . 0.0 113.498 174.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 t -112.86 55.02 0.7 Allowed 'General case' 1 CA--C 1.647 4.687 1 CA-C-O 131.707 5.527 . . . . 0.0 108.951 174.23 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.301 0.0 OUTLIER -56.82 -66.81 0.38 Allowed 'General case' 0 C--O 1.273 2.328 0 CA-C-N 108.504 -3.953 . . . . 0.0 107.003 171.545 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -57.85 -63.39 1.27 Allowed 'General case' 0 C--N 1.426 3.913 0 CA-C-O 114.565 -2.636 . . . . 0.0 114.073 163.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.88 118.33 0.01 OUTLIER Glycine 2 CA--C 1.676 10.124 0 CA-C-O 114.73 -3.261 . . . . 0.0 110.592 -172.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -99.87 51.8 0.05 OUTLIER 'Trans proline' 1 N--CA 1.63 9.549 1 CA-C-N 124.397 4.098 . . . . 0.0 117.478 177.13 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp -106.8 -76.24 0.62 Allowed 'General case' 1 CA--C 1.678 5.873 0 CA-C-O 127.51 3.529 . . . . 0.0 109.186 175.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . 0.345 1.3 p -111.45 131.39 22.32 Favored Pre-proline 1 C--N 1.509 7.541 1 CA-C-N 108.1 -4.136 . . . . 0.0 111.009 -176.237 . . . . . . . . 4 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -80.27 79.82 3.22 Favored 'Trans proline' 1 CA--C 1.672 7.407 0 N-CA-C 121.149 3.48 . . . . 0.0 121.149 -168.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 55.35 60.69 3.24 Favored 'General case' 1 CA--C 1.694 6.493 1 C-N-CA 133.393 4.677 . . . . 0.0 110.15 -171.678 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . 0.255 4.2 t -78.63 -5.77 53.84 Favored 'General case' 0 C--O 1.179 -2.649 0 N-CA-C 121.472 3.879 . . . . 0.0 121.472 165.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 tmm? -77.16 -37.53 53.69 Favored 'General case' 0 CA--C 1.595 2.692 0 C-N-CA 129.859 3.263 . . . . 0.0 110.5 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.271 16.0 pttt -55.41 -38.86 69.49 Favored 'General case' 1 N--CA 1.557 4.913 0 O-C-N 118.735 -2.478 . . . . 0.0 116.493 162.359 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.344 . . -60.41 -36.35 77.93 Favored 'General case' 0 C--N 1.4 2.762 1 N-CA-C 123.316 4.562 . . . . 0.0 123.316 169.709 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.51 -40.25 96.56 Favored 'General case' 1 N--CA 1.553 4.7 1 O-C-N 114.498 -5.126 . . . . 0.0 113.084 166.867 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.289 4.5 mp -47.33 -40.71 17.8 Favored 'General case' 0 C--O 1.266 1.932 0 C-N-CA 128.893 2.877 . . . . 0.0 117.004 169.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -72.93 -57.69 2.92 Favored Pre-proline 1 CA--C 1.685 6.159 0 N-CA-C 120.56 3.541 . . . . 0.0 120.56 171.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -59.11 -13.14 18.07 Favored 'Trans proline' 1 N--CA 1.554 5.046 0 C-N-CA 123.332 2.688 . . . . 0.0 113.168 170.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 1 CA--C 1.66 5.21 0 CA-C-N 124.542 3.337 . . . . 0.0 105.992 161.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.197 -1.681 0 CA-C-O 115.999 -1.953 . . . . 0.0 115.479 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.514 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.344 10.5 pt-20 -51.39 -61.53 2.19 Favored 'General case' 0 N--CA 1.524 3.272 0 N-CA-C 120.85 3.648 . . . . 0.0 120.85 -168.317 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.32 -54.91 22.29 Favored Pre-proline 0 N--CA 1.392 -3.368 0 N-CA-C 119.642 3.201 . . . . 0.0 119.642 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.312 87.9 Cg_endo -70.02 -56.9 0.12 Allowed 'Trans proline' 0 C--N 1.381 2.282 2 O-C-N 110.43 -5.616 . . . . 0.0 115.988 174.25 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 m -68.94 -49.65 56.21 Favored 'General case' 1 N--CA 1.543 4.21 0 CA-C-O 126.224 2.916 . . . . 0.0 114.291 -162.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.453 ' HG ' ' HE ' ' A' ' 12' ' ' ARG 0.514 3.9 m -58.34 -47.55 83.4 Favored 'General case' 1 C--N 1.436 4.335 0 C-N-CA 129.127 2.971 . . . . 0.0 118.519 171.367 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.254 11.7 ttt-85 -51.94 -48.3 64.32 Favored 'General case' 1 CA--C 1.633 4.16 0 N-CA-C 121.642 3.942 . . . . 0.0 121.642 163.156 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.276 14.0 m-80 -56.26 -39.64 72.94 Favored 'General case' 1 CA--C 1.681 5.982 0 CA-C-O 114.183 -2.817 . . . . 0.0 109.46 153.991 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.453 ' HE ' ' HG ' ' A' ' 9' ' ' CYS 0.523 0.5 OUTLIER -54.55 -36.16 64.01 Favored 'General case' 1 CA--C 1.642 4.486 2 CA-C-N 130.994 6.27 . . . . 0.0 117.58 172.737 . . . . . . . . 6 4 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -57.81 -35.11 70.39 Favored 'General case' 1 N--CA 1.548 4.436 0 CA-C-O 127.225 3.393 . . . . 0.0 118.229 170.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -63.06 -35.47 80.35 Favored 'General case' 1 N--CA 1.592 6.644 0 CA-C-N 110.899 -2.864 . . . . 0.0 106.729 166.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.344 12.1 m170 -57.69 -32.79 67.69 Favored 'General case' 2 N--CA 1.608 7.459 1 O-C-N 115.976 -4.202 . . . . 0.0 113.608 165.226 . . . . . . . . 4 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.258 0.6 OUTLIER -44.31 -33.12 1.06 Allowed Pre-proline 1 CA--C 1.649 4.751 2 O-C-N 113.687 -5.633 . . . . 0.0 110.956 -173.329 . . . . . . . . 5 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -69.81 -33.6 16.09 Favored 'Trans proline' 1 N--CA 1.541 4.267 1 C-N-CA 133.026 9.151 . . . . 0.0 119.836 166.966 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.59 1.4 pp -69.84 -43.99 70.84 Favored 'General case' 1 N--CA 1.56 5.029 0 CA-C-N 111.48 -2.6 . . . . 0.0 110.185 160.239 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.266 0.0 OUTLIER 47.78 35.01 4.23 Favored 'General case' 0 CA--C 1.625 3.852 0 N-CA-C 121.366 3.839 . . . . 0.0 121.366 178.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -107.62 -19.88 13.41 Favored 'General case' 0 C--O 1.273 2.323 0 CA-C-N 123.93 3.059 . . . . 0.0 117.036 171.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 t -113.95 62.75 0.66 Allowed 'General case' 0 CA--C 1.628 3.948 0 CA-C-O 128.395 3.95 . . . . 0.0 105.991 169.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.374 0.0 OUTLIER -59.77 -61.16 2.82 Favored 'General case' 0 CA--C 1.556 1.19 1 O-C-N 114.043 -5.411 . . . . 0.0 111.463 161.687 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -69.76 -69.14 0.36 Allowed 'General case' 1 N--CA 1.548 4.43 0 O-C-N 128.861 3.851 . . . . 0.0 106.908 167.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.35 112.55 0.01 OUTLIER Glycine 0 C--N 1.388 3.445 0 CA-C-N 125.081 3.582 . . . . 0.0 117.35 -161.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.276 3.6 Cg_endo -82.38 45.89 2.05 Favored 'Trans proline' 1 CA--C 1.727 10.134 1 N-CA-C 123.515 4.39 . . . . 0.0 123.515 -179.783 . . . . . . . . 4 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -115.95 -71.16 0.75 Allowed 'General case' 0 CA--C 1.622 3.717 0 C-N-CA 130.133 3.373 . . . . 0.0 110.963 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.582 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 1.3 p -116.4 142.23 29.15 Favored Pre-proline 0 N--CA 1.52 3.07 1 N-CA-C 98.695 -4.557 . . . . 0.0 98.695 -173.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.298 89.7 Cg_endo -101.42 72.42 0.04 OUTLIER 'Trans proline' 2 CA--C 1.696 8.587 0 O-C-N 117.046 -2.134 . . . . 0.0 109.226 -158.647 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.604 . . 79.19 44.6 0.06 Allowed 'General case' 0 C--N 1.403 2.901 0 O-C-N 116.355 -3.966 . . . . 0.0 115.035 -176.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.582 ' HB2' ' SG ' ' A' ' 27' ' ' CYS 0.361 4.8 t -83.18 -3.99 57.94 Favored 'General case' 0 CA--C 1.613 3.377 0 N-CA-C 119.46 3.133 . . . . 0.0 119.46 174.604 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -76.46 -37.64 56.62 Favored 'General case' 2 N--CA 1.605 7.312 0 C-N-CA 130.455 3.502 . . . . 0.0 105.831 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.282 12.8 pttt -57.89 -43.91 86.38 Favored 'General case' 1 N--CA 1.558 4.939 0 CA-C-O 114.78 -2.533 . . . . 0.0 113.182 165.555 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.24 69.4 Favored 'General case' 1 N--CA 1.592 6.656 0 CA-C-O 112.755 -3.498 . . . . 0.0 117.303 169.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -72.94 -38.76 66.67 Favored 'General case' 2 N--CA 1.625 8.281 0 CA-C-N 124.354 3.252 . . . . 0.0 109.826 166.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.254 7.1 mp -44.24 -32.05 1.17 Allowed 'General case' 1 N--CA 1.561 5.094 0 CA-C-O 113.962 -2.923 . . . . 0.0 116.663 168.275 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -78.72 -57.0 0.86 Allowed Pre-proline 0 CA--C 1.599 2.853 0 N-CA-C 121.738 3.977 . . . . 0.0 121.738 171.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 1.518 ' CB ' ' CA ' ' A' ' 37' ' ' PRO 0.394 37.3 Cg_endo -59.85 -16.46 38.14 Favored 'Trans proline' 1 C--N 1.452 5.974 1 C-N-CA 128.536 6.157 . . . . 0.0 113.941 167.793 . . . . . . . . 5 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.483 11.0 pt-20 . . . . . 2 C--N 1.486 6.521 0 CA-C-N 122.275 2.307 . . . . 0.0 104.935 165.635 . . . . . . . . 2 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 1 CA--C 1.655 4.986 0 N-CA-C 116.503 2.038 . . . . 0.0 116.503 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.514 3.4 pt-20 -49.09 -58.69 4.54 Favored 'General case' 0 CA--C 1.589 2.446 0 N-CA-C 121.138 3.755 . . . . 0.0 121.138 -168.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -69.17 -58.28 6.38 Favored Pre-proline 0 N--CA 1.534 3.757 1 CA-C-O 108.489 -5.529 . . . . 0.0 114.158 175.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.37 0.7 OUTLIER -75.76 -57.56 0.05 OUTLIER 'Trans proline' 1 CA--C 1.625 5.054 0 CA-C-N 125.286 2.924 . . . . 0.0 118.517 -179.73 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.294 0.8 OUTLIER -52.82 -57.99 8.39 Favored 'General case' 1 C--N 1.444 4.71 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -177.587 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.454 ' C ' ' H ' ' A' ' 12' ' ' ARG . 61.0 m -77.2 -36.94 54.43 Favored 'General case' 2 C--N 1.228 -4.699 0 C-N-CA 127.435 2.294 . . . . 0.0 108.579 -168.827 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -54.57 -38.54 66.81 Favored 'General case' 2 N--CA 1.553 4.686 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 167.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -61.41 -40.6 95.01 Favored 'General case' 2 CA--C 1.665 5.367 0 CA-C-O 116.729 -1.605 . . . . 0.0 109.529 164.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.454 ' H ' ' C ' ' A' ' 9' ' ' CYS 0.564 0.6 OUTLIER -63.63 -33.92 76.68 Favored 'General case' 1 N--CA 1.646 9.375 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 175.512 . . . . . . . . 5 4 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -60.52 -32.7 71.71 Favored 'General case' 2 C--N 1.437 4.412 1 CA-C-O 111.232 -4.223 . . . . 0.0 118.488 169.514 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.9 -34.68 75.04 Favored 'General case' 1 CA--C 1.641 4.458 2 O-C-N 131.906 5.754 . . . . 0.0 114.651 158.319 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.403 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.38 45.1 m170 -55.03 -34.63 63.67 Favored 'General case' 1 CA--C 1.721 7.537 1 O-C-N 132.574 6.171 . . . . 0.0 111.8 166.033 . . . . . . . . 5 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 1.53 ' CD2' ' CG ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -43.54 -36.12 1.98 Allowed Pre-proline 1 N--CA 1.549 4.522 0 CA-C-O 113.045 -3.359 . . . . 0.0 118.362 -178.933 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -57.95 -42.27 60.08 Favored 'Trans proline' 2 N--CA 1.572 6.097 1 C-N-CA 132.103 8.535 . . . . 0.0 111.79 164.179 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 15' ' ' HIS . 1.7 pp -71.99 -48.79 42.36 Favored 'General case' 0 N--CA 1.526 3.373 0 CA-C-O 116.772 -1.585 . . . . 0.0 109.923 168.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.01 38.71 10.79 Favored 'General case' 1 N--CA 1.542 4.129 0 CA-C-N 122.615 2.462 . . . . 0.0 110.061 164.87 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -106.31 -31.16 8.74 Favored 'General case' 1 N--CA 1.557 4.885 0 CA-C-N 122.911 2.596 . . . . 0.0 117.868 161.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' A' ' 21' ' ' SER . 2.0 t -90.91 43.78 1.16 Allowed 'General case' 0 CA--C 1.49 -1.36 0 O-C-N 126.867 2.605 . . . . 0.0 116.074 165.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.426 0.0 OUTLIER -45.26 -56.98 4.3 Favored 'General case' 1 CA--C 1.633 4.157 0 CA-C-O 124.908 2.29 . . . . 0.0 108.624 172.326 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.5 p -68.79 -69.65 0.32 Allowed 'General case' 1 N--CA 1.558 4.945 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 170.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.88 126.83 0.1 OUTLIER Glycine 0 CA--C 1.573 3.66 1 CA-C-O 112.182 -4.677 . . . . 0.0 111.633 -174.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.38 0.0 OUTLIER -93.04 53.94 0.45 Allowed 'Trans proline' 1 N--CA 1.553 5.023 2 CA-C-N 126.755 5.278 . . . . 0.0 117.085 176.506 . . . . . . . . 5 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.312 7.0 mp -127.66 -52.34 1.36 Allowed 'General case' 1 N--CA 1.557 4.911 1 O-C-N 116.183 -4.073 . . . . 0.0 109.348 -179.877 . . . . . . . . 4 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 1.7 p -139.36 122.25 10.51 Favored Pre-proline 0 C--O 1.189 -2.112 1 O-C-N 115.983 -4.198 . . . . 0.0 100.513 -168.192 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -84.09 68.56 6.62 Favored 'Trans proline' 1 CA--C 1.429 -4.754 0 N-CA-C 119.139 2.707 . . . . 0.0 119.139 -162.267 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.31 70.83 0.26 Allowed 'General case' 1 CA--C 1.662 5.274 0 O-C-N 126.521 2.388 . . . . 0.0 115.409 -173.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.536 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 5.6 t -99.14 -17.38 18.22 Favored 'General case' 1 CA--C 1.697 6.61 1 CA-C-N 106.165 -5.016 . . . . 0.0 111.047 179.313 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -35.29 76.95 Favored 'General case' 0 C--N 1.426 3.926 0 N-CA-C 120.413 3.486 . . . . 0.0 120.413 168.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -74.09 -35.41 64.19 Favored 'General case' 1 CA--C 1.709 7.073 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.6 171.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.14 -31.77 69.26 Favored 'General case' 0 N--CA 1.519 2.995 0 CA-C-O 112.63 -3.557 . . . . 0.0 120.196 163.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 m -61.2 -39.78 91.5 Favored 'General case' 1 CA--C 1.652 4.866 0 CA-C-N 125.437 3.744 . . . . 0.0 111.293 165.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.27 -28.24 67.9 Favored 'General case' 0 CA--C 1.584 2.283 0 C-N-CA 126.823 2.049 . . . . 0.0 109.69 -171.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -72.74 -60.05 2.12 Favored Pre-proline 2 N--CA 1.589 6.517 1 CA-C-O 107.626 -5.94 . . . . 0.0 118.291 164.193 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -61.84 -13.17 29.16 Favored 'Trans proline' 0 N--CA 1.523 3.228 1 C-N-CA 126.406 4.737 . . . . 0.0 113.951 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 2 CA--C 1.697 6.616 1 CA-C-O 106.951 -6.261 . . . . 0.0 117.384 163.332 . . . . . . . . 2 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.341 2.5 t . . . . . 0 CA--C 1.605 3.086 0 CA-C-O 115.066 -2.397 . . . . 0.0 114.751 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.429 3.3 pt-20 -53.94 -60.94 2.67 Favored 'General case' 0 N--CA 1.533 3.711 0 N-CA-C 117.393 2.368 . . . . 0.0 117.393 -168.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.53 -51.38 32.39 Favored Pre-proline 0 C--N 1.4 2.775 0 CA-C-O 113.154 -3.308 . . . . 0.0 115.464 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.364 0.1 OUTLIER -80.69 -53.05 0.04 OUTLIER 'Trans proline' 1 C--N 1.453 6.038 0 N-CA-C 121.143 3.478 . . . . 0.0 121.143 173.841 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.5 m -56.92 -60.02 4.2 Favored 'General case' 1 N--CA 1.586 6.336 0 CA-C-O 128.348 3.927 . . . . 0.0 114.443 -176.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.33 6.0 m -69.14 -35.34 76.26 Favored 'General case' 0 C--O 1.288 3.114 1 O-C-N 115.742 -4.349 . . . . 0.0 115.709 -178.851 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.323 11.2 ttt-85 -50.56 -38.45 45.13 Favored 'General case' 0 C--N 1.419 3.593 0 CA-C-N 123.641 2.928 . . . . 0.0 112.799 170.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -62.73 -41.72 99.32 Favored 'General case' 1 N--CA 1.546 4.355 1 CA-C-N 108.2 -4.091 . . . . 0.0 114.398 167.495 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.358 0.1 OUTLIER -68.2 -33.57 74.68 Favored 'General case' 1 N--CA 1.602 7.164 0 CA-C-O 112.46 -3.638 . . . . 0.0 112.359 174.604 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.4 m -56.99 -38.9 73.69 Favored 'General case' 0 N--CA 1.519 3.005 1 CA-C-O 110.913 -4.375 . . . . 0.0 113.174 170.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.432 ' HD2' HH11 ' A' ' 14' ' ' ARG . 0.6 OUTLIER -62.35 -29.17 70.27 Favored 'General case' 0 N--CA 1.506 2.345 1 O-C-N 129.459 4.224 . . . . 0.0 111.216 166.3 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.317 10.3 m170 -56.27 -32.47 64.57 Favored 'General case' 0 C--N 1.409 3.17 0 O-C-N 118.723 -2.486 . . . . 0.0 111.678 163.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.29 -38.81 16.03 Favored Pre-proline 1 CA--C 1.737 8.141 2 O-C-N 112.296 -6.502 . . . . 0.0 115.055 -175.258 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.267 22.2 Cg_endo -64.04 -27.44 65.78 Favored 'Trans proline' 0 C--N 1.285 -2.778 1 C-N-CA 127.904 5.736 . . . . 0.0 114.936 167.034 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.368 1.7 pp -74.02 -52.38 12.93 Favored 'General case' 1 N--CA 1.579 6.022 1 O-C-N 116.249 -4.032 . . . . 0.0 108.109 158.997 . . . . . . . . 4 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 64.36 39.21 7.29 Favored 'General case' 0 N--CA 1.529 3.519 0 CA-C-N 121.441 1.928 . . . . 0.0 110.721 168.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.416 47.4 p90 -109.04 -32.57 7.19 Favored 'General case' 0 N--CA 1.525 3.318 0 O-C-N 125.465 1.728 . . . . 0.0 114.004 171.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 t -96.09 51.21 1.21 Allowed 'General case' 0 N--CA 1.527 3.417 0 CA-C-O 112.698 -3.525 . . . . 0.0 104.747 171.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.439 0.0 OUTLIER -50.69 -52.41 40.37 Favored 'General case' 1 CA--C 1.644 4.595 0 CA-C-N 123.507 2.867 . . . . 0.0 110.495 167.425 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.6 p -69.45 -68.89 0.37 Allowed 'General case' 1 N--CA 1.641 9.119 0 N-CA-C 121.653 3.946 . . . . 0.0 121.653 168.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.07 133.12 0.01 OUTLIER Glycine 1 CA--C 1.594 4.989 0 CA-C-N 109.409 -3.541 . . . . 0.0 114.257 -175.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.297 2.5 Cg_endo -94.43 42.64 0.2 Allowed 'Trans proline' 0 C--N 1.406 3.568 0 CA-C-N 121.201 2.5 . . . . 0.0 114.792 -173.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.295 8.0 mp -113.57 -67.57 0.99 Allowed 'General case' 1 CA--C 1.688 6.273 1 O-C-N 115.285 -4.634 . . . . 0.0 107.966 -174.604 . . . . . . . . 4 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' A' ' 30' ' ' CYS 0.363 0.8 OUTLIER -122.15 120.71 28.16 Favored Pre-proline 1 N--CA 1.577 5.918 1 O-C-N 133.082 6.489 . . . . 0.0 103.712 -168.656 . . . . . . . . 6 4 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -84.08 79.61 2.59 Favored 'Trans proline' 0 C--O 1.284 2.798 0 C-N-CA 123.601 2.867 . . . . 0.0 113.0 -161.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.33 67.05 0.99 Allowed 'General case' 1 CA--C 1.682 6.031 0 CA-C-O 126.249 2.928 . . . . 0.0 115.067 -174.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.627 ' HB2' ' SG ' ' A' ' 27' ' ' CYS 0.402 5.4 t -91.38 -5.25 54.77 Favored 'General case' 0 C--N 1.428 3.993 1 CA-C-O 110.614 -4.517 . . . . 0.0 115.999 163.714 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -33.39 71.49 Favored 'General case' 1 N--CA 1.569 5.482 0 O-C-N 128.403 3.564 . . . . 0.0 115.696 169.325 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.314 24.7 pttt -73.92 -39.59 63.71 Favored 'General case' 1 CA--C 1.724 7.661 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 177.029 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.52 -34.15 64.41 Favored 'General case' 0 N--CA 1.532 3.66 0 N-CA-C 119.029 2.974 . . . . 0.0 119.029 168.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.8 m -58.91 -45.95 89.1 Favored 'General case' 2 N--CA 1.587 6.415 0 O-C-N 120.941 -1.099 . . . . 0.0 108.145 167.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -56.79 -40.03 75.18 Favored 'General case' 1 CA--C 1.632 4.098 0 CA-C-O 112.727 -3.511 . . . . 0.0 108.425 -168.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -58.24 -65.78 1.72 Allowed Pre-proline 0 CA--C 1.614 3.436 0 N-CA-C 120.471 3.508 . . . . 0.0 120.471 166.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -69.47 -3.19 11.32 Favored 'Trans proline' 1 C--N 1.44 5.378 1 N-CA-C 123.288 4.303 . . . . 0.0 123.288 176.646 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 CA--C 1.629 3.998 0 O-C-N 117.921 -2.987 . . . . 0.0 110.014 165.536 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.415 -2.212 0 N-CA-C 118.878 2.918 . . . . 0.0 118.878 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -52.4 -61.96 1.95 Allowed 'General case' 2 C--N 1.478 6.172 1 CA-C-O 109.033 -5.27 . . . . 0.0 113.183 -167.628 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.4 -55.84 32.07 Favored Pre-proline 0 N--CA 1.529 3.508 1 O-C-N 130.206 4.691 . . . . 0.0 110.077 -171.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.363 0.1 OUTLIER -79.77 -54.29 0.04 OUTLIER 'Trans proline' 1 N--CA 1.641 10.16 0 C-N-CA 125.018 3.812 . . . . 0.0 118.416 178.115 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 3.6 m -64.02 -59.4 4.52 Favored 'General case' 0 CA--C 1.629 3.998 0 CA-C-N 121.0 1.727 . . . . 0.0 112.937 -171.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -64.14 -38.22 90.29 Favored 'General case' 2 N--CA 1.573 5.706 1 CA-C-O 110.673 -4.489 . . . . 0.0 121.088 175.282 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -52.84 -32.92 47.06 Favored 'General case' 1 N--CA 1.639 8.981 1 O-C-N 133.062 6.476 . . . . 0.0 110.524 167.885 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 8' ' ' THR . 5.1 m-80 -64.34 -47.55 78.92 Favored 'General case' 0 C--O 1.261 1.665 0 CA-C-O 112.425 -3.655 . . . . 0.0 111.67 167.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.32 0.0 OUTLIER -62.19 -31.6 72.14 Favored 'General case' 0 C--O 1.186 -2.286 1 N-CA-C 123.603 4.668 . . . . 0.0 123.603 168.39 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -55.81 -36.23 67.21 Favored 'General case' 0 C--O 1.197 -1.682 0 N-CA-C 118.495 2.776 . . . . 0.0 118.495 165.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -25.21 66.95 Favored 'General case' 1 N--CA 1.587 6.387 0 C-N-CA 127.747 2.419 . . . . 0.0 106.363 167.499 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.425 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 15.6 m170 -69.22 -27.76 65.77 Favored 'General case' 1 N--CA 1.592 6.662 0 CA-C-O 113.611 -3.09 . . . . 0.0 107.879 168.691 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 1.577 ' CB ' ' CG ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -51.05 -38.68 48.3 Favored Pre-proline 2 N--CA 1.548 4.454 0 CA-C-N 122.399 2.363 . . . . 0.0 117.198 -177.066 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -47.99 -44.17 28.37 Favored 'Trans proline' 1 CA--C 1.624 4.998 1 C-N-CA 126.702 4.935 . . . . 0.0 109.645 163.025 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.498 HD13 ' H ' ' A' ' 20' ' ' PHE . 2.8 pp -78.37 -32.27 48.86 Favored 'General case' 0 C--N 1.405 2.996 0 CA-C-N 123.044 2.656 . . . . 0.0 112.151 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.76 36.75 27.85 Favored 'General case' 0 C--O 1.278 2.569 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 166.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.498 ' H ' HD13 ' A' ' 18' ' ' LEU 0.355 30.1 p90 -111.32 -30.86 7.26 Favored 'General case' 0 C--O 1.268 2.062 0 CA-C-N 122.274 2.306 . . . . 0.0 108.624 179.264 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.3 t -96.67 61.31 1.89 Allowed 'General case' 0 N--CA 1.423 -1.818 1 O-C-N 115.72 -4.363 . . . . 0.0 101.975 167.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.315 0.0 OUTLIER -63.01 -38.32 90.73 Favored 'General case' 0 N--CA 1.524 3.234 0 O-C-N 118.347 -2.721 . . . . 0.0 116.094 162.576 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -81.39 -70.68 0.52 Allowed 'General case' 0 CA--C 1.605 3.087 1 O-C-N 116.226 -4.047 . . . . 0.0 117.33 168.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.82 125.98 0.07 OUTLIER Glycine 0 C--O 1.289 3.557 0 N-CA-C 122.637 3.815 . . . . 0.0 122.637 -174.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -83.4 25.94 0.67 Allowed 'Trans proline' 1 CA--C 1.662 6.89 0 CA-C-O 112.764 -3.098 . . . . 0.0 116.486 -170.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp -102.5 -71.43 0.72 Allowed 'General case' 0 N--CA 1.512 2.633 0 O-C-N 126.152 2.157 . . . . 0.0 113.883 -175.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.729 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.446 0.6 OUTLIER -106.61 131.25 21.86 Favored Pre-proline 0 C--N 1.378 1.818 0 C-N-CA 128.521 2.728 . . . . 0.0 103.904 -177.402 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -96.97 85.79 0.08 OUTLIER 'Trans proline' 1 CA--C 1.608 4.212 0 C-N-CA 113.992 -3.538 . . . . 0.0 110.552 -165.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 59.28 57.67 3.33 Favored 'General case' 3 CA--C 1.649 4.773 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 -168.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.729 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.522 6.0 t -86.86 5.35 37.24 Favored 'General case' 0 C--N 1.271 -2.804 0 CA-C-O 112.418 -3.658 . . . . 0.0 113.017 165.763 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -34.7 55.39 Favored 'General case' 1 N--CA 1.599 6.998 0 CA-C-N 122.422 2.374 . . . . 0.0 109.86 172.803 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.437 38.3 pttt -68.37 -38.42 81.36 Favored 'General case' 0 C--N 1.39 2.369 0 O-C-N 116.578 -3.826 . . . . 0.0 114.351 176.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.407 . . -54.91 -30.51 58.55 Favored 'General case' 0 C--O 1.261 1.693 1 O-C-N 112.639 -6.288 . . . . 0.0 119.972 167.454 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -62.04 -45.44 93.56 Favored 'General case' 1 CA--C 1.668 5.49 0 CA-C-O 125.451 2.548 . . . . 0.0 114.783 165.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.341 4.9 mp -51.47 -33.57 31.71 Favored 'General case' 0 C--O 1.254 1.312 0 N-CA-C 121.625 3.935 . . . . 0.0 121.625 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -72.98 -57.43 2.98 Favored Pre-proline 0 N--CA 1.537 3.921 0 O-C-N 128.608 3.692 . . . . 0.0 114.78 164.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -68.0 -15.82 44.07 Favored 'Trans proline' 2 CA--C 1.682 7.922 0 CA-C-O 111.319 -3.701 . . . . 0.0 119.39 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 . . . . . 1 CA--C 1.636 4.283 1 O-C-N 132.279 5.987 . . . . 0.0 106.541 173.446 . . . . . . . . 2 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.601 7.087 0 CA-C-O 115.763 -2.065 . . . . 0.0 108.576 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.33 12.6 pt-20 -52.35 -56.24 16.22 Favored 'General case' 0 C--O 1.302 3.829 0 N-CA-C 118.274 2.694 . . . . 0.0 118.274 -174.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.483 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 3.8 tp10 -65.02 -60.93 7.0 Favored Pre-proline 1 CA--C 1.652 4.868 1 O-C-N 114.396 -5.19 . . . . 0.0 114.584 -178.111 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 6' ' ' GLU . 49.9 Cg_endo -70.64 -49.46 0.43 Allowed 'Trans proline' 0 CA--C 1.588 3.219 1 C-N-CA 125.696 4.264 . . . . 0.0 120.782 175.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 m -68.31 -51.44 44.72 Favored 'General case' 0 C--N 1.383 2.046 1 N-CA-C 123.389 4.588 . . . . 0.0 123.389 -174.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.2 m -73.57 -39.38 64.7 Favored 'General case' 1 N--CA 1.586 6.368 1 CA-C-N 103.675 -6.148 . . . . 0.0 107.099 -174.233 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.38 34.7 ttt-85 -56.3 -43.64 79.09 Favored 'General case' 0 C--N 1.374 1.639 0 CA-C-N 125.468 3.758 . . . . 0.0 116.87 163.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -50.17 -38.69 40.94 Favored 'General case' 0 CA--C 1.596 2.714 0 O-C-N 126.158 2.161 . . . . 0.0 116.043 163.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.445 1.5 ptp180 -71.29 -36.07 71.55 Favored 'General case' 0 C--O 1.285 2.961 0 CA-C-O 114.643 -2.599 . . . . 0.0 114.911 171.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 1.557 HG23 ' CG2' ' A' ' 13' ' ' THR 0.373 2.9 m -53.45 -40.33 65.13 Favored 'General case' 0 CA--C 1.629 4.0 0 CA-C-N 121.769 2.077 . . . . 0.0 112.682 176.245 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -33.96 74.52 Favored 'General case' 0 C--O 1.271 2.225 1 CA-C-O 108.743 -5.408 . . . . 0.0 107.79 162.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.492 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.323 44.4 m170 -57.69 -30.44 65.48 Favored 'General case' 0 CA--C 1.605 3.091 0 CA-C-N 123.27 2.759 . . . . 0.0 110.728 173.12 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 1.502 ' C ' ' CA ' ' A' ' 16' ' ' LEU 0.391 4.7 tt -44.99 -48.84 30.42 Favored Pre-proline 1 CA--C 1.745 8.467 0 O-C-N 118.398 -2.689 . . . . 0.0 109.581 -173.588 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HD2' ' H ' ' A' ' 16' ' ' LEU . 5.1 Cg_exo -40.72 -52.11 3.33 Favored 'Trans proline' 0 N--CA 1.534 3.894 0 C-N-CA 123.556 2.837 . . . . 0.0 111.384 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 15' ' ' HIS 0.399 4.2 pp -58.8 -49.9 75.95 Favored 'General case' 1 N--CA 1.564 5.23 0 C-N-CA 127.977 2.511 . . . . 0.0 115.37 170.728 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.409 ' HB2' HE21 ' A' ' 19' ' ' GLN . 0.0 OUTLIER 53.46 47.05 24.94 Favored 'General case' 1 N--CA 1.55 4.529 0 O-C-N 117.824 -3.047 . . . . 0.0 118.848 176.845 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.535 1.7 p90 -104.16 -45.67 4.65 Favored 'General case' 1 N--CA 1.587 6.416 0 O-C-N 120.257 -1.527 . . . . 0.0 113.037 166.454 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 t -91.2 73.52 6.25 Favored 'General case' 1 N--CA 1.563 5.205 1 N-CA-C 98.731 -4.544 . . . . 0.0 98.731 177.282 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.443 0.0 OUTLIER -91.23 -33.06 15.52 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 127.009 2.693 . . . . 0.0 115.614 170.757 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 p -90.89 -68.87 0.76 Allowed 'General case' 1 CA--C 1.645 4.6 0 CA-C-O 113.33 -3.224 . . . . 0.0 108.363 161.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.97 116.56 0.55 Allowed Glycine 1 C--N 1.447 6.71 2 CA-C-O 109.128 -6.373 . . . . 0.0 119.77 -167.324 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.274 60.7 Cg_endo -65.16 2.77 1.25 Allowed 'Trans proline' 1 N--CA 1.629 9.453 2 CA-C-N 127.829 5.814 . . . . 0.0 126.266 167.973 . . . . . . . . 4 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.26 1.1 mp -88.15 -76.28 0.39 Allowed 'General case' 0 C--N 1.425 3.87 0 CA-C-O 121.856 0.836 . . . . 0.0 112.291 -170.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.7 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 23.3 p -100.04 124.61 42.88 Favored Pre-proline 0 C--O 1.301 3.77 2 O-C-N 130.614 4.946 . . . . 0.0 104.63 -179.836 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -84.86 82.36 1.76 Allowed 'Trans proline' 1 CA--C 1.609 4.243 0 N-CA-C 117.286 1.995 . . . . 0.0 117.286 -178.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 51.25 76.46 0.16 Allowed 'General case' 1 N--CA 1.558 4.945 2 N-CA-C 126.096 5.591 . . . . 0.0 126.096 -156.729 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.7 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 9.6 t -102.74 10.75 38.36 Favored 'General case' 0 CA--C 1.62 3.663 2 O-C-N 132.464 6.103 . . . . 0.0 113.243 176.052 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.05 -37.53 22.0 Favored 'General case' 0 C--N 1.423 3.785 1 O-C-N 131.392 5.432 . . . . 0.0 109.156 175.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -74.34 -31.85 62.59 Favored 'General case' 0 C--O 1.198 -1.65 0 CA-C-N 121.768 2.077 . . . . 0.0 114.637 -176.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.332 . . -61.06 -34.61 75.16 Favored 'General case' 0 CA--C 1.6 2.891 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 166.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.413 ' H ' ' HG1' ' A' ' 34' ' ' THR . 1.8 m -55.65 -44.69 77.44 Favored 'General case' 1 N--CA 1.597 6.925 0 CA-C-O 123.615 1.674 . . . . 0.0 114.11 165.74 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -32.1 67.46 Favored 'General case' 0 C--N 1.255 -3.526 0 CA-C-O 112.281 -3.723 . . . . 0.0 111.066 177.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.349 54.4 mt-30 -67.34 -62.53 3.49 Favored Pre-proline 0 CA--C 1.622 3.717 1 CA-C-N 127.881 4.855 . . . . 0.0 111.677 171.553 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.293 8.5 Cg_endo -45.13 -42.32 16.38 Favored 'Trans proline' 1 C--N 1.5 8.541 1 N-CA-C 123.88 4.531 . . . . 0.0 123.88 170.812 . . . . . . . . 4 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.429 14.5 pt-20 . . . . . 2 C--N 1.493 6.83 0 N-CA-C 105.291 -2.115 . . . . 0.0 105.291 -178.655 . . . . . . . . 2 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 CA--C 1.456 -2.671 1 N-CA-C 122.292 4.182 . . . . 0.0 122.292 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.293 11.4 pt-20 -54.24 -52.46 61.26 Favored 'General case' 1 N--CA 1.566 5.363 0 CA-C-N 110.6 -3.0 . . . . 0.0 118.76 -178.519 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.454 0.2 OUTLIER -60.83 -71.38 0.34 Allowed Pre-proline 1 N--CA 1.57 5.575 0 CA-C-O 114.172 -2.823 . . . . 0.0 110.575 179.141 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.57 -47.04 1.07 Allowed 'Trans proline' 0 N--CA 1.533 3.844 1 C-N-CA 127.974 5.783 . . . . 0.0 120.633 -176.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 m -72.77 -56.29 5.47 Favored 'General case' 2 N--CA 1.584 6.243 0 O-C-N 129.072 3.982 . . . . 0.0 112.798 -170.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.0 m -71.84 -38.97 70.03 Favored 'General case' 1 CA--C 1.698 6.637 0 CA-C-N 111.291 -2.686 . . . . 0.0 115.286 -171.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.278 59.8 ttt-85 -55.08 -43.56 74.04 Favored 'General case' 0 C--O 1.28 2.675 0 CA-C-O 113.491 -3.147 . . . . 0.0 111.963 161.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -49.27 -40.33 33.94 Favored 'General case' 0 C--N 1.385 2.116 0 CA-C-N 120.757 1.617 . . . . 0.0 111.794 163.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.481 1.0 OUTLIER -69.25 -35.21 75.88 Favored 'General case' 0 CA--C 1.458 -2.568 0 N-CA-C 120.157 3.391 . . . . 0.0 120.157 173.177 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.275 4.0 m -57.76 -39.53 77.64 Favored 'General case' 1 C--N 1.462 5.458 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -179.553 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -53.79 -29.9 42.35 Favored 'General case' 1 N--CA 1.549 4.516 0 O-C-N 127.703 3.127 . . . . 0.0 116.951 159.293 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.252 36.3 m170 -61.02 -26.09 67.37 Favored 'General case' 3 CA--C 1.67 5.592 0 N-CA-C 103.84 -2.652 . . . . 0.0 103.84 176.881 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.322 7.1 tt -55.51 -32.15 11.81 Favored Pre-proline 2 CA--C 1.648 4.743 0 CA-C-N 121.818 2.099 . . . . 0.0 112.436 -170.419 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.329 2.8 Cg_endo -49.34 -51.51 10.55 Favored 'Trans proline' 2 N--CA 1.601 7.849 0 C-N-CA 124.383 3.389 . . . . 0.0 112.351 172.071 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.32 4.3 pp -59.66 -47.52 85.31 Favored 'General case' 1 N--CA 1.602 7.17 0 O-C-N 126.294 2.246 . . . . 0.0 115.528 170.85 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.495 HE21 ' HB2' ' A' ' 19' ' ' GLN 0.343 0.8 OUTLIER 53.79 46.99 24.66 Favored 'General case' 1 CA--C 1.632 4.114 1 N-CA-C 122.118 4.118 . . . . 0.0 122.118 178.933 . . . . . . . . 6 4 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.352 7.4 p90 -108.88 -50.43 3.01 Favored 'General case' 1 C--O 1.349 6.323 0 O-C-N 120.139 -1.601 . . . . 0.0 110.898 168.004 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.24 68.17 9.78 Favored 'General case' 0 CA--C 1.584 2.274 0 O-C-N 119.43 -2.044 . . . . 0.0 111.249 173.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.29 0.0 OUTLIER -81.55 -28.69 33.77 Favored 'General case' 0 C--N 1.428 3.997 0 CA-C-N 112.583 -2.099 . . . . 0.0 116.517 170.498 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 p -93.94 -73.51 0.57 Allowed 'General case' 1 CA--C 1.68 5.967 0 CA-C-O 112.036 -3.84 . . . . 0.0 103.789 166.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.533 ' C ' ' CA ' ' A' ' 25' ' ' PRO . . . 84.3 121.83 0.94 Allowed Glycine 1 N--CA 1.579 8.216 1 CA-C-O 109.604 -6.109 . . . . 0.0 118.642 -166.712 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 1.44 ' CA ' ' N ' ' A' ' 25' ' ' PRO . 13.1 Cg_endo -74.6 6.07 3.43 Favored 'Trans proline' 2 N--CA 1.681 12.5 1 CA-C-N 126.143 4.971 . . . . 0.0 117.666 173.303 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.252 4.9 mp -87.09 -81.52 0.23 Allowed 'General case' 0 N--CA 1.52 3.052 0 CA-C-O 127.083 3.325 . . . . 0.0 111.604 -172.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 29.3 p -104.38 122.12 44.99 Favored Pre-proline 0 N--CA 1.389 -3.486 1 CA-C-O 131.999 5.666 . . . . 0.0 103.855 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -79.62 77.15 4.19 Favored 'Trans proline' 2 N--CA 1.588 7.033 1 O-C-N 112.245 -4.661 . . . . 0.0 119.469 -178.538 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 57.04 74.43 0.41 Allowed 'General case' 0 CA--C 1.606 3.104 0 CA-C-N 111.474 -2.603 . . . . 0.0 116.06 -161.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.529 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 9.9 t -98.3 3.34 48.71 Favored 'General case' 0 C--O 1.263 1.788 0 C-N-CA 128.916 2.887 . . . . 0.0 116.664 168.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -44.15 48.26 Favored 'General case' 2 N--CA 1.574 5.754 0 CA-C-O 113.361 -3.209 . . . . 0.0 110.236 169.331 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -64.54 -30.45 71.48 Favored 'General case' 1 N--CA 1.551 4.577 0 CA-C-N 125.37 3.714 . . . . 0.0 120.75 176.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.426 ' O ' ' CD ' ' A' ' 37' ' ' PRO 0.385 . . -61.38 -32.81 72.74 Favored 'General case' 0 C--O 1.26 1.64 0 N-CA-C 118.911 2.93 . . . . 0.0 118.911 164.847 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -53.39 -49.3 67.53 Favored 'General case' 2 N--CA 1.593 6.689 0 CA-C-O 125.358 2.504 . . . . 0.0 112.858 166.476 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.269 0.6 OUTLIER -48.53 -47.25 39.29 Favored 'General case' 0 C--N 1.392 2.451 0 C-N-CA 130.178 3.391 . . . . 0.0 113.708 172.189 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -68.14 -61.88 3.68 Favored Pre-proline 1 CA--C 1.67 5.564 1 CA-C-O 111.382 -4.152 . . . . 0.0 105.648 -179.455 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.426 ' CD ' ' O ' ' A' ' 33' ' ' ALA 0.276 0.9 OUTLIER -50.93 -40.22 58.39 Favored 'Trans proline' 1 CA--C 1.63 5.322 1 C-N-CA 127.586 5.524 . . . . 0.0 119.877 172.594 . . . . . . . . 6 4 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.288 14.0 pt-20 . . . . . 1 N--CA 1.591 6.578 0 CA-C-N 125.521 3.782 . . . . 0.0 112.302 177.328 . . . . . . . . 2 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.408 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 4.3 t . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 116.289 -1.815 . . . . 0.0 115.161 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -55.32 -53.19 59.28 Favored 'General case' 1 C--O 1.31 4.246 0 O-C-N 126.401 2.313 . . . . 0.0 112.824 -175.029 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.444 0.0 OUTLIER -65.08 -56.51 19.97 Favored Pre-proline 1 N--CA 1.573 5.709 0 CA-C-N 124.78 3.446 . . . . 0.0 114.868 -179.18 . . . . . . . . 4 3 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -83.79 -43.4 0.07 OUTLIER 'Trans proline' 1 C--N 1.467 6.787 0 O-C-N 115.602 -2.894 . . . . 0.0 116.675 -177.855 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m -73.76 -52.16 14.07 Favored 'General case' 0 CA--C 1.584 2.287 1 CA-C-O 129.189 4.328 . . . . 0.0 114.928 -166.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.483 84.2 m -66.86 -50.95 60.9 Favored 'General case' 0 C--O 1.288 3.081 1 CA-C-N 108.325 -4.034 . . . . 0.0 113.471 179.832 . . . . . . . . 3 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.268 73.6 ttt-85 -59.18 -41.08 87.6 Favored 'General case' 1 N--CA 1.633 8.694 0 CA-C-O 112.01 -3.852 . . . . 0.0 104.873 174.465 . . . . . . . . 3 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -54.6 -33.38 60.29 Favored 'General case' 1 C--N 1.439 4.477 0 CA-C-N 125.558 3.799 . . . . 0.0 108.459 167.085 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.411 2.0 ptp180 -72.25 -35.46 68.8 Favored 'General case' 1 C--O 1.309 4.223 0 CA-C-N 125.006 3.548 . . . . 0.0 112.7 169.5 . . . . . . . . 3 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.278 5.6 m -62.14 -41.77 98.6 Favored 'General case' 0 N--CA 1.518 2.961 0 CA-C-N 122.563 2.438 . . . . 0.0 112.142 -177.577 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.393 0.5 OUTLIER -50.07 -31.56 13.44 Favored 'General case' 1 C--O 1.31 4.27 0 O-C-N 125.863 1.977 . . . . 0.0 115.482 160.303 . . . . . . . . 4 3 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.508 17.1 m170 -57.73 -34.7 69.78 Favored 'General case' 0 C--O 1.259 1.577 0 C-N-CA 128.285 2.634 . . . . 0.0 109.035 168.49 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.478 ' H ' ' HD2' ' A' ' 17' ' ' PRO 0.587 8.5 tt -42.43 -42.54 6.81 Favored Pre-proline 2 N--CA 1.56 5.04 0 O-C-N 116.956 -3.59 . . . . 0.0 115.101 -176.837 . . . . . . . . 4 3 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.478 ' HD2' ' H ' ' A' ' 16' ' ' LEU 0.422 1.9 Cg_endo -46.55 -53.4 6.11 Favored 'Trans proline' 1 N--CA 1.585 6.873 0 C-N-CA 124.204 3.269 . . . . 0.0 114.537 172.755 . . . . . . . . 4 3 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.357 4.7 pp -57.72 -50.07 74.45 Favored 'General case' 1 C--N 1.46 5.407 0 N-CA-C 118.322 2.712 . . . . 0.0 118.322 169.767 . . . . . . . . 3 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.412 ' HB2' HE21 ' A' ' 19' ' ' GLN 0.25 1.2 tt0 52.16 58.12 5.76 Favored 'General case' 1 CA--C 1.683 6.071 0 N-CA-C 121.563 3.912 . . . . 0.0 121.563 -177.717 . . . . . . . . 4 3 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.289 4.5 p90 -114.35 -57.37 2.28 Favored 'General case' 0 CA--C 1.605 3.094 0 N-CA-C 105.729 -1.952 . . . . 0.0 105.729 164.404 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.07 56.84 0.79 Allowed 'General case' 1 C--N 1.441 4.575 0 C-N-CA 116.499 -2.08 . . . . 0.0 116.468 173.862 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' A' ' 19' ' ' GLN 0.301 0.0 OUTLIER -70.48 -31.44 68.57 Favored 'General case' 2 N--CA 1.608 7.468 0 C-N-CA 127.647 2.379 . . . . 0.0 116.102 167.821 . . . . . . . . 5 4 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -97.3 -66.38 0.91 Allowed 'General case' 0 CA--C 1.619 3.633 0 CA-C-N 112.256 -2.247 . . . . 0.0 106.762 171.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.94 127.53 0.52 Allowed Glycine 2 N--CA 1.642 12.368 0 CA-C-O 115.526 -2.819 . . . . 0.0 116.018 -176.154 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -84.65 11.81 3.25 Favored 'Trans proline' 1 CA--C 1.653 6.426 2 CA-C-N 126.761 5.28 . . . . 0.0 123.316 176.897 . . . . . . . . 3 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mp -96.91 -78.69 0.47 Allowed 'General case' 1 CA--C 1.679 5.92 0 O-C-N 116.665 -3.772 . . . . 0.0 108.496 -171.646 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 24.2 p -99.41 125.44 41.11 Favored Pre-proline 1 N--CA 1.541 4.092 0 CA-C-O 125.222 2.439 . . . . 0.0 108.061 173.771 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -78.85 79.52 3.35 Favored 'Trans proline' 1 N--CA 1.555 5.104 0 N-CA-C 116.453 1.674 . . . . 0.0 116.453 -178.426 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 57.71 83.5 0.11 Allowed 'General case' 1 CA--C 1.694 6.484 0 C-N-CA 129.057 2.943 . . . . 0.0 109.751 -168.794 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.592 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.33 7.1 t -111.62 3.03 17.62 Favored 'General case' 0 N--CA 1.534 3.743 0 CA-C-N 110.119 -3.218 . . . . 0.0 113.415 172.701 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -38.15 69.79 Favored 'General case' 0 N--CA 1.517 2.884 0 N-CA-C 119.472 3.138 . . . . 0.0 119.472 161.152 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -56.74 -35.23 68.36 Favored 'General case' 1 N--CA 1.612 7.66 1 N-CA-C 123.418 4.599 . . . . 0.0 123.418 165.061 . . . . . . . . 3 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.16 76.63 Favored 'General case' 2 N--CA 1.546 4.351 0 CA-C-O 114.446 -2.692 . . . . 0.0 115.327 167.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -34.8 77.99 Favored 'General case' 1 CA--C 1.631 4.068 0 O-C-N 127.203 2.814 . . . . 0.0 116.303 171.686 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.262 0.6 OUTLIER -48.92 -54.25 16.26 Favored 'General case' 0 C--N 1.41 3.226 1 O-C-N 130.355 4.784 . . . . 0.0 117.106 163.109 . . . . . . . . 4 3 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.255 53.2 mt-30 -62.32 -61.93 6.71 Favored Pre-proline 2 CA--C 1.645 4.617 1 CA-C-O 111.026 -4.321 . . . . 0.0 106.652 179.843 . . . . . . . . 4 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -48.05 -42.82 31.84 Favored 'Trans proline' 0 C--O 1.178 -2.493 3 N-CA-C 124.915 4.929 . . . . 0.0 124.915 169.414 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.297 10.9 pt-20 . . . . . 1 C--O 1.306 4.045 2 O-C-N 111.102 -7.248 . . . . 0.0 120.154 179.637 . . . . . . . . 3 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.401 -2.89 0 N-CA-C 118.105 2.632 . . . . 0.0 118.105 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.252 6.5 pt-20 -33.79 -61.66 0.33 Allowed 'General case' 1 N--CA 1.621 8.123 0 N-CA-C 117.022 2.23 . . . . 0.0 117.022 -174.727 . . . . . . . . 3 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.61 -51.94 37.78 Favored Pre-proline 1 N--CA 1.553 4.706 0 O-C-N 119.433 -2.042 . . . . 0.0 116.0 177.479 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.353 60.6 Cg_endo -76.07 -62.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.526 3.416 0 N-CA-C 121.545 3.633 . . . . 0.0 121.545 -174.59 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.3 m -76.31 -46.06 29.48 Favored 'General case' 1 N--CA 1.579 6.02 1 O-C-N 113.63 -5.669 . . . . 0.0 111.55 -176.214 . . . . . . . . 3 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.33 81.3 m -56.67 -32.07 65.05 Favored 'General case' 0 N--CA 1.534 3.741 1 O-C-N 130.708 5.005 . . . . 0.0 117.574 175.591 . . . . . . . . 3 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.3 ttt-85 -71.21 -61.94 1.58 Allowed 'General case' 0 C--O 1.282 2.808 0 C-N-CA 127.949 2.499 . . . . 0.0 106.372 171.062 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -44.09 -39.92 4.56 Favored 'General case' 2 C--N 1.453 5.067 1 C-N-CA 109.011 -5.076 . . . . 0.0 121.604 163.091 . . . . . . . . 3 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER -58.48 -40.1 81.8 Favored 'General case' 0 C--O 1.266 1.97 0 N-CA-C 119.468 3.136 . . . . 0.0 119.468 171.364 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.2 m -48.24 -40.3 24.14 Favored 'General case' 1 N--CA 1.544 4.274 1 N-CA-C 122.785 4.365 . . . . 0.0 122.785 167.369 . . . . . . . . 3 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.39 -28.43 19.63 Favored 'General case' 1 N--CA 1.583 6.181 0 N-CA-C 120.641 3.571 . . . . 0.0 120.641 162.355 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.386 12.4 m170 -54.46 -32.26 57.28 Favored 'General case' 0 CA--C 1.599 2.836 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 166.49 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' CD1' ' HE2' ' A' ' 31' ' ' MET . 1.4 tt -52.19 -49.74 83.07 Favored Pre-proline 0 N--CA 1.53 3.562 0 CA-C-O 112.178 -3.772 . . . . 0.0 117.435 -170.227 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 1.468 ' HB2' ' CB ' ' A' ' 17' ' ' PRO . 8.1 Cg_exo -44.89 -38.32 13.05 Favored 'Trans proline' 0 C--N 1.403 3.433 1 CA-C-N 131.21 5.039 . . . . 0.0 114.828 162.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.484 0.3 OUTLIER -63.1 -54.5 36.92 Favored 'General case' 2 CA--C 1.677 5.834 0 CA-C-O 112.824 -3.465 . . . . 0.0 113.379 171.813 . . . . . . . . 4 3 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 69.25 64.75 0.28 Allowed 'General case' 0 CA--C 1.626 3.884 0 O-C-N 127.143 2.777 . . . . 0.0 113.277 170.256 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -129.96 -27.22 2.31 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 111.763 -3.97 . . . . 0.0 120.571 160.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.5 t -98.34 47.34 0.99 Allowed 'General case' 1 C--N 1.455 5.174 0 CA-C-N 124.65 3.386 . . . . 0.0 108.053 158.086 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER -54.09 -41.4 68.19 Favored 'General case' 2 CA--C 1.655 4.987 0 O-C-N 124.981 1.426 . . . . 0.0 113.05 172.235 . . . . . . . . 4 3 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.15 -35.81 19.92 Favored 'General case' 0 N--CA 1.491 1.576 1 N-CA-C 126.356 5.687 . . . . 0.0 126.356 171.637 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.78 104.33 0.71 Allowed Glycine 1 N--CA 1.521 4.343 0 N-CA-C 121.547 3.379 . . . . 0.0 121.547 176.832 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -79.39 -21.64 8.76 Favored 'Trans proline' 1 CA--C 1.616 4.621 0 N-CA-C 120.104 3.078 . . . . 0.0 120.104 171.209 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.276 0.3 OUTLIER -78.68 -50.75 10.91 Favored 'General case' 0 C--N 1.389 2.285 1 CA-C-O 108.106 -5.711 . . . . 0.0 115.654 172.115 . . . . . . . . 4 3 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.582 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 27.7 p -130.47 98.6 20.11 Favored Pre-proline 0 C--N 1.428 3.996 0 CA-C-N 125.132 3.606 . . . . 0.0 101.738 169.056 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 1.439 ' CB ' ' CG ' ' A' ' 28' ' ' PRO . 60.2 Cg_endo -83.75 145.48 11.51 Favored 'Trans proline' 2 C--N 1.44 5.362 0 N-CA-C 109.676 -0.932 . . . . 0.0 109.676 -170.185 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 49.46 30.24 3.29 Favored 'General case' 1 CA--C 1.642 4.511 0 CA-C-O 113.495 -3.145 . . . . 0.0 117.832 -167.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . 0.262 3.7 t -71.98 -18.44 61.99 Favored 'General case' 2 CA--C 1.683 6.074 1 N-CA-C 125.509 5.374 . . . . 0.0 125.509 163.331 . . . . . . . . 4 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.451 ' HE2' ' CD1' ' A' ' 16' ' ' LEU . 2.3 ttt -70.27 -55.12 10.01 Favored 'General case' 2 N--CA 1.592 6.647 0 CA-C-O 114.078 -2.868 . . . . 0.0 107.406 -178.758 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -45.1 -45.3 11.09 Favored 'General case' 1 N--CA 1.541 4.097 0 O-C-N 126.293 2.246 . . . . 0.0 116.491 -178.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.14 -26.79 65.06 Favored 'General case' 1 N--CA 1.555 4.776 1 N-CA-C 122.656 4.317 . . . . 0.0 122.656 173.978 . . . . . . . . 3 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' ' 38' ' ' GLU 0.329 60.1 m -47.96 -44.21 30.1 Favored 'General case' 1 CA--C 1.739 8.243 0 O-C-N 127.365 2.916 . . . . 0.0 109.007 171.745 . . . . . . . . 4 3 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.404 1.1 mt -64.21 -28.21 69.59 Favored 'General case' 0 C--N 1.383 2.035 0 CA-C-N 109.633 -3.439 . . . . 0.0 114.144 -170.7 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -66.0 -60.38 7.18 Favored Pre-proline 0 CA--C 1.607 3.168 1 CA-C-O 108.059 -5.734 . . . . 0.0 107.567 173.301 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -77.52 -26.57 7.06 Favored 'Trans proline' 0 CA--C 1.588 3.182 0 CA-C-N 124.975 2.812 . . . . 0.0 119.392 -175.05 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 34' ' ' THR 0.294 5.3 pt-20 . . . . . 0 CA--C 1.573 1.853 0 CA-C-N 119.52 1.055 . . . . 0.0 110.237 -171.791 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.528 3.452 0 N-CA-C 117.713 2.486 . . . . 0.0 117.713 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.306 2.4 pt-20 -43.94 -62.13 1.22 Allowed 'General case' 1 CA--C 1.63 4.058 0 C-N-CA 125.313 1.445 . . . . 0.0 113.785 -169.896 . . . . . . . . 3 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.414 2.2 tp10 -59.02 -57.86 23.91 Favored Pre-proline 1 CA--C 1.63 4.041 0 O-C-N 126.854 2.596 . . . . 0.0 112.09 178.543 . . . . . . . . 3 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.324 58.2 Cg_endo -76.61 -64.16 0.03 OUTLIER 'Trans proline' 1 N--CA 1.56 5.425 1 N-CA-C 122.589 4.034 . . . . 0.0 122.589 -174.212 . . . . . . . . 4 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.282 51.8 m -73.21 -38.93 65.91 Favored 'General case' 0 CA--C 1.598 2.79 1 O-C-N 115.19 -4.694 . . . . 0.0 114.804 -172.531 . . . . . . . . 3 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.287 81.1 m -66.68 -33.72 76.28 Favored 'General case' 1 C--N 1.453 5.085 0 C-N-CA 129.242 3.017 . . . . 0.0 110.989 -177.117 . . . . . . . . 3 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.8 ttt-85 -66.37 -53.45 35.9 Favored 'General case' 0 N--CA 1.518 2.929 0 O-C-N 126.099 2.125 . . . . 0.0 112.242 166.627 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -52.67 -45.96 67.0 Favored 'General case' 0 CA--C 1.586 2.338 0 CA-C-N 122.561 2.437 . . . . 0.0 106.099 166.393 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.43 0.0 OUTLIER -52.33 -48.13 65.64 Favored 'General case' 0 C--N 1.389 2.285 0 N-CA-C 119.934 3.309 . . . . 0.0 119.934 176.126 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.3 m -49.61 -34.71 18.76 Favored 'General case' 2 N--CA 1.613 7.724 0 O-C-N 117.609 -3.182 . . . . 0.0 115.295 175.813 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -59.37 -38.31 80.15 Favored 'General case' 2 CA--C 1.65 4.802 0 O-C-N 127.219 2.825 . . . . 0.0 110.72 172.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.467 ' HB3' HD12 ' A' ' 18' ' ' LEU 0.454 12.0 m170 -41.37 -28.25 0.11 Allowed 'General case' 1 CA--C 1.662 5.25 0 O-C-N 119.684 -1.885 . . . . 0.0 114.865 167.596 . . . . . . . . 4 3 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' CD1' ' HE2' ' A' ' 31' ' ' MET 0.264 1.4 tt -59.55 -55.61 44.15 Favored Pre-proline 1 N--CA 1.555 4.786 1 CA-C-O 108.523 -5.513 . . . . 0.0 113.372 -164.983 . . . . . . . . 5 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -47.1 -37.39 23.01 Favored 'Trans proline' 1 CA--C 1.626 5.111 1 CA-C-O 110.379 -4.092 . . . . 0.0 109.662 169.99 . . . . . . . . 3 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 15' ' ' HIS 0.597 3.9 pp -59.69 -54.35 47.39 Favored 'General case' 1 N--CA 1.572 5.635 1 N-CA-C 122.572 4.286 . . . . 0.0 122.572 167.375 . . . . . . . . 5 3 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.328 13.6 tt0 69.53 62.05 0.28 Allowed 'General case' 0 C--O 1.26 1.632 0 N-CA-C 118.863 2.912 . . . . 0.0 118.863 170.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.295 16.5 p90 -126.05 -36.22 2.37 Favored 'General case' 0 N--CA 1.527 3.398 1 N-CA-C 123.556 4.65 . . . . 0.0 123.556 166.502 . . . . . . . . 3 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.4 t -105.41 49.88 0.79 Allowed 'General case' 0 N--CA 1.534 3.733 0 CA-C-O 127.547 3.546 . . . . 0.0 107.976 164.211 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -39.85 88.96 Favored 'General case' 0 C--N 1.412 3.286 1 O-C-N 115.486 -4.509 . . . . 0.0 110.246 170.52 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.428 3.0 p -79.79 -53.12 7.09 Favored 'General case' 0 CA--C 1.607 3.157 0 N-CA-C 121.645 3.943 . . . . 0.0 121.645 170.751 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.32 110.08 2.92 Favored Glycine 1 CA--C 1.587 4.533 0 O-C-N 127.634 3.084 . . . . 0.0 115.4 176.481 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.251 82.1 Cg_endo -82.81 -31.76 0.7 Allowed 'Trans proline' 1 CA--C 1.613 4.428 0 CA-C-N 121.741 2.77 . . . . 0.0 119.113 168.982 . . . . . . . . 3 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.91 -69.05 0.39 Allowed 'General case' 0 C--N 1.287 -2.109 1 CA-C-O 109.814 -4.898 . . . . 0.0 105.627 175.927 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.504 ' O ' ' SG ' ' A' ' 27' ' ' CYS 0.254 32.1 p -107.92 91.84 8.26 Favored Pre-proline 2 N--CA 1.6 7.042 2 CA-C-O 107.689 -5.91 . . . . 0.0 106.799 173.543 . . . . . . . . 5 3 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -74.97 145.8 31.99 Favored 'Trans proline' 1 N--CA 1.564 5.676 0 CA-C-N 128.28 3.993 . . . . 0.0 109.324 -175.634 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 53.53 26.46 5.63 Favored 'General case' 1 CA--C 1.647 4.684 1 N-CA-C 121.831 4.012 . . . . 0.0 121.831 -174.391 . . . . . . . . 3 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.9 t -80.08 -14.15 58.74 Favored 'General case' 0 C--N 1.423 3.78 1 CA-C-O 110.25 -4.691 . . . . 0.0 116.778 171.811 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.441 ' HE2' ' CD1' ' A' ' 16' ' ' LEU . 1.6 ttt -77.29 -53.17 8.03 Favored 'General case' 1 CA--C 1.682 6.024 2 CA-C-N 134.66 7.936 . . . . 0.0 106.986 -173.187 . . . . . . . . 4 3 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -44.07 -44.87 7.75 Favored 'General case' 0 C--N 1.393 2.466 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.312 . . -59.34 -48.09 82.94 Favored 'General case' 1 N--CA 1.602 7.161 0 CA-C-O 112.184 -3.769 . . . . 0.0 113.138 174.9 . . . . . . . . 3 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -32.61 -49.55 0.22 Allowed 'General case' 1 CA--C 1.704 6.898 1 O-C-N 129.372 4.17 . . . . 0.0 114.214 169.652 . . . . . . . . 3 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.473 1.1 mt -60.33 -38.35 83.47 Favored 'General case' 0 CA--C 1.446 -3.041 0 C-N-CA 129.435 3.094 . . . . 0.0 114.922 -172.145 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.402 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 2.0 mt-30 -60.19 -63.27 4.46 Favored Pre-proline 1 N--CA 1.541 4.106 1 CA-C-O 108.372 -5.585 . . . . 0.0 112.145 170.362 . . . . . . . . 4 3 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' A' ' 36' ' ' GLN 0.291 18.5 Cg_endo -64.39 -35.66 48.81 Favored 'Trans proline' 0 C--O 1.306 3.877 2 C-N-CA 129.157 6.571 . . . . 0.0 121.259 178.547 . . . . . . . . 4 3 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.42 5.0 pt-20 . . . . . 0 C--N 1.413 3.332 0 O-C-N 126.901 2.626 . . . . 0.0 107.36 -167.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.279 7.2 t . . . . . 0 N--CA 1.419 -1.991 0 N-CA-C 119.38 3.104 . . . . 0.0 119.38 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.312 0.6 OUTLIER -41.69 -63.46 0.71 Allowed 'General case' 1 C--N 1.443 4.669 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -170.28 . . . . . . . . 4 3 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.293 12.4 tp10 -62.99 -53.04 58.79 Favored Pre-proline 1 N--CA 1.58 6.058 1 CA-C-O 110.326 -4.654 . . . . 0.0 109.55 -168.455 . . . . . . . . 4 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -70.09 -52.14 0.32 Allowed 'Trans proline' 1 N--CA 1.588 7.051 2 CA-C-N 131.533 5.155 . . . . 0.0 125.023 178.725 . . . . . . . . 3 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 m -73.1 -63.7 1.12 Allowed 'General case' 1 CA--C 1.7 6.741 1 O-C-N 115.696 -4.377 . . . . 0.0 112.452 -173.48 . . . . . . . . 3 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.422 80.7 m -45.38 -35.36 3.57 Favored 'General case' 1 C--O 1.329 5.278 0 O-C-N 128.482 3.614 . . . . 0.0 115.104 -176.657 . . . . . . . . 3 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.262 4.2 ttt180 -67.54 -52.97 32.58 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-O 115.005 -2.426 . . . . 0.0 107.665 175.613 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.604 62.6 m-20 -54.12 -49.96 67.97 Favored 'General case' 3 C--O 1.323 4.962 0 CA-C-O 111.763 -3.97 . . . . 0.0 113.202 166.163 . . . . . . . . 3 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.258 2.2 ptp180 -56.37 -37.71 70.44 Favored 'General case' 1 CA--C 1.634 4.178 0 O-C-N 129.072 3.983 . . . . 0.0 109.918 177.033 . . . . . . . . 3 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.399 4.9 m -40.89 -33.54 0.31 Allowed 'General case' 1 N--CA 1.54 4.031 0 N-CA-C 120.937 3.681 . . . . 0.0 120.937 167.629 . . . . . . . . 3 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.331 3.6 mpt_? -64.1 -27.45 69.1 Favored 'General case' 2 CA--C 1.665 5.399 0 O-C-N 116.994 -3.566 . . . . 0.0 111.558 171.636 . . . . . . . . 3 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -65.07 -34.3 78.09 Favored 'General case' 0 C--O 1.275 2.429 1 CA-C-O 111.065 -4.302 . . . . 0.0 109.524 165.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.313 5.7 tt -47.58 -42.4 43.25 Favored Pre-proline 0 N--CA 1.529 3.522 1 N-CA-C 121.824 4.009 . . . . 0.0 121.824 -165.927 . . . . . . . . 3 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -45.87 -45.33 17.32 Favored 'Trans proline' 1 N--CA 1.589 7.146 0 C-N-CA 124.716 3.611 . . . . 0.0 117.83 163.294 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 pp -71.01 -32.12 68.82 Favored 'General case' 2 N--CA 1.548 4.455 0 O-C-N 116.673 -3.767 . . . . 0.0 116.259 175.356 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.626 3.8 tt0 61.71 62.2 1.32 Allowed 'General case' 0 CA--C 1.601 2.906 1 O-C-N 114.332 -5.23 . . . . 0.0 116.221 169.995 . . . . . . . . 3 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.53 -42.31 1.65 Allowed 'General case' 1 C--O 1.315 4.528 0 O-C-N 125.193 1.558 . . . . 0.0 112.986 165.237 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.306 0.3 OUTLIER -108.13 65.6 0.64 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 118.005 -2.934 . . . . 0.0 108.754 172.222 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.653 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -72.45 -55.07 7.6 Favored 'General case' 0 CA--C 1.575 1.925 0 N-CA-C 118.772 2.879 . . . . 0.0 118.772 168.646 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 p -77.82 -26.66 49.65 Favored 'General case' 1 CA--C 1.669 5.525 0 CA-C-N 110.811 -2.904 . . . . 0.0 115.954 162.362 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.91 101.07 0.04 OUTLIER Glycine 1 CA--C 1.602 5.483 0 CA-C-O 118.984 -0.898 . . . . 0.0 115.041 172.468 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.357 7.2 Cg_endo -62.62 -5.34 6.98 Favored 'Trans proline' 0 C--N 1.379 2.15 2 CA-C-N 126.907 5.353 . . . . 0.0 125.236 -170.879 . . . . . . . . 3 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.278 1.1 mp -104.75 -35.5 7.75 Favored 'General case' 1 CA--C 1.673 5.708 0 CA-C-O 115.241 -2.314 . . . . 0.0 112.679 -178.817 . . . . . . . . 3 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.684 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 15.3 p -123.04 104.61 35.34 Favored Pre-proline 1 CA--C 1.737 8.154 0 CA-C-O 124.992 2.329 . . . . 0.0 104.75 169.274 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -92.42 90.29 0.19 Allowed 'Trans proline' 0 CA--C 1.591 3.348 1 CA-C-O 131.774 4.822 . . . . 0.0 110.651 -171.634 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 87.56 55.16 0.01 OUTLIER 'General case' 1 N--CA 1.543 4.213 1 CA-C-N 105.624 -5.262 . . . . 0.0 112.801 -175.083 . . . . . . . . 3 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.684 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.448 37.1 t -97.7 -11.53 23.38 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 119.492 3.145 . . . . 0.0 119.492 167.226 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.303 2.5 ttp -76.05 -14.55 60.21 Favored 'General case' 0 C--N 1.398 2.681 1 O-C-N 116.276 -4.015 . . . . 0.0 120.084 -178.02 . . . . . . . . 3 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.526 ' C ' ' CA ' ' A' ' 33' ' ' ALA . 4.1 pttt -79.04 -35.13 43.14 Favored 'General case' 0 C--N 1.381 1.967 0 C-N-CA 124.684 1.194 . . . . 0.0 111.958 174.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 1.551 ' N ' ' CA ' ' A' ' 33' ' ' ALA 0.376 . . -69.67 -36.79 76.33 Favored 'General case' 1 N--CA 1.694 11.757 0 O-C-N 118.75 -2.469 . . . . 0.0 108.669 174.052 . . . . . . . . 4 3 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 1.527 HG23 ' CG2' ' A' ' 34' ' ' THR . 1.8 m -43.36 -39.65 3.26 Favored 'General case' 0 C--O 1.188 -2.145 0 N-CA-C 120.817 3.636 . . . . 0.0 120.817 179.186 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mp -67.12 -39.38 86.63 Favored 'General case' 0 CA--C 1.612 3.363 1 CA-C-O 111.647 -4.025 . . . . 0.0 115.02 176.281 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.298 7.3 mt-30 -64.07 -64.56 2.72 Favored Pre-proline 0 CA--C 1.602 2.944 2 CA-C-O 109.083 -5.246 . . . . 0.0 110.652 -175.232 . . . . . . . . 3 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -74.42 -15.34 22.34 Favored 'Trans proline' 0 C--O 1.286 2.905 0 CA-C-N 126.383 3.315 . . . . 0.0 115.193 166.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.319 0.2 OUTLIER . . . . . 0 N--CA 1.523 3.197 2 CA-C-N 129.673 5.669 . . . . 0.0 113.085 168.496 . . . . . . . . 3 2 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.274 13.2 t . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.996 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.34 -67.91 0.18 Allowed 'General case' 2 C--N 1.497 6.986 0 CA-C-O 123.564 1.649 . . . . 0.0 114.107 -165.227 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.266 14.2 tp10 -55.35 -53.54 60.86 Favored Pre-proline 0 N--CA 1.531 3.587 0 CA-C-O 112.416 -3.659 . . . . 0.0 119.445 -172.264 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 1.503 ' CA ' ' C ' ' A' ' 7' ' ' PRO . 20.0 Cg_endo -71.67 -55.13 0.13 Allowed 'Trans proline' 2 CA--C 1.77 12.309 1 CA-C-N 133.226 5.759 . . . . 0.0 115.372 177.529 . . . . . . . . 4 3 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.452 ' N ' ' CA ' ' A' ' 7' ' ' PRO . 2.4 m -71.24 -57.14 4.77 Favored 'General case' 0 CA--C 1.609 3.227 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -171.596 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.286 77.8 m -55.71 -33.76 64.49 Favored 'General case' 0 CA--C 1.625 3.828 0 N-CA-C 118.825 2.898 . . . . 0.0 118.825 -174.875 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -55.09 -56.48 19.35 Favored 'General case' 0 CA--C 1.607 3.149 0 CA-C-O 113.603 -3.094 . . . . 0.0 109.922 166.481 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.452 75.3 m-20 -56.95 -45.04 83.09 Favored 'General case' 1 CA--C 1.648 4.726 0 CA-C-N 121.498 1.953 . . . . 0.0 113.768 171.878 . . . . . . . . 3 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.52 0.3 OUTLIER -54.79 -34.67 62.97 Favored 'General case' 0 CA--C 1.579 2.067 1 CA-C-O 110.915 -4.374 . . . . 0.0 111.663 170.353 . . . . . . . . 5 4 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.391 4.8 m -52.56 -31.51 36.33 Favored 'General case' 1 CA--C 1.65 4.81 0 CA-C-N 124.191 3.178 . . . . 0.0 116.932 170.815 . . . . . . . . 3 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.344 2.1 mpt_? -61.13 -32.22 71.92 Favored 'General case' 1 C--O 1.359 6.866 0 O-C-N 127.951 3.282 . . . . 0.0 113.426 168.35 . . . . . . . . 3 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 44.0 m170 -58.6 -23.71 59.34 Favored 'General case' 1 CA--C 1.664 5.33 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 169.145 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.541 4.8 tt -49.51 -51.54 57.82 Favored Pre-proline 0 N--CA 1.521 3.091 0 N-CA-C 117.423 2.379 . . . . 0.0 117.423 -166.118 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 1.565 ' CD ' ' CG ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -48.11 -38.79 33.05 Favored 'Trans proline' 1 N--CA 1.539 4.168 1 CA-C-O 108.808 -4.747 . . . . 0.0 115.807 164.302 . . . . . . . . 5 4 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 pp -74.37 -34.38 63.34 Favored 'General case' 1 N--CA 1.567 5.419 0 CA-C-N 123.889 3.04 . . . . 0.0 117.089 170.791 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.518 4.0 tt0 66.58 63.06 0.52 Allowed 'General case' 1 N--CA 1.561 5.105 0 C-N-CA 131.211 3.804 . . . . 0.0 115.208 168.295 . . . . . . . . 3 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -123.67 -37.44 2.63 Favored 'General case' 0 CA--C 1.628 3.961 1 O-C-N 114.93 -4.856 . . . . 0.0 115.904 161.941 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.51 61.59 0.67 Allowed 'General case' 1 CA--C 1.643 4.539 0 O-C-N 128.777 3.798 . . . . 0.0 112.571 173.392 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -52.69 37.48 Favored 'General case' 0 C--O 1.271 2.229 0 O-C-N 128.608 3.693 . . . . 0.0 118.996 167.747 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.362 54.2 p -90.77 -11.39 39.64 Favored 'General case' 0 CA--C 1.589 2.465 0 CA-C-O 125.083 2.373 . . . . 0.0 113.997 167.305 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.25 95.16 0.01 OUTLIER Glycine 3 CA--C 1.625 6.943 2 O-C-N 113.289 -5.882 . . . . 0.0 117.364 173.137 . . . . . . . . 3 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.555 10.0 Cg_endo -45.91 -16.94 0.23 Allowed 'Trans proline' 0 CA--C 1.589 3.251 1 N-CA-C 125.558 5.176 . . . . 0.0 125.558 -176.149 . . . . . . . . 3 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.97 -44.44 8.06 Favored 'General case' 0 C--N 1.264 -3.124 0 N-CA-C 119.127 3.01 . . . . 0.0 119.127 177.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.566 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 12.2 p -117.54 91.94 39.42 Favored Pre-proline 2 CA--C 1.68 5.953 0 C-N-CA 128.737 2.815 . . . . 0.0 111.578 171.261 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.93 92.1 1.16 Allowed 'Trans proline' 2 N--CA 1.546 4.61 0 C-N-CA 123.156 2.57 . . . . 0.0 112.168 -169.72 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.362 . . 81.88 50.75 0.02 OUTLIER 'General case' 0 CA--C 1.602 2.943 0 N-CA-C 118.799 2.888 . . . . 0.0 118.799 -170.399 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.566 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 47.0 t -100.44 -16.6 17.52 Favored 'General case' 1 CA--C 1.662 5.258 0 CA-C-O 116.273 -1.822 . . . . 0.0 112.436 177.354 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ttp -73.39 -16.1 61.34 Favored 'General case' 0 N--CA 1.5 2.03 1 N-CA-C 124.044 4.831 . . . . 0.0 124.044 179.75 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -82.78 -35.49 26.46 Favored 'General case' 0 C--N 1.257 -3.439 0 CA-C-N 112.418 -2.173 . . . . 0.0 113.953 177.244 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.4 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.321 . . -67.64 -35.63 79.27 Favored 'General case' 1 C--N 1.47 5.834 0 CA-C-O 116.335 -1.793 . . . . 0.0 114.199 168.697 . . . . . . . . 4 3 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 m -42.47 -40.33 2.55 Favored 'General case' 0 N--CA 1.526 3.368 0 CA-C-O 115.469 -2.205 . . . . 0.0 116.48 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mp -69.46 -37.45 77.31 Favored 'General case' 0 C--N 1.267 -3.018 0 CA-C-O 114.547 -2.644 . . . . 0.0 113.946 179.272 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -73.39 -56.33 3.2 Favored Pre-proline 0 CA--C 1.596 2.732 0 CA-C-O 113.109 -3.329 . . . . 0.0 108.084 -171.814 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -74.0 -18.7 21.21 Favored 'Trans proline' 1 CA--C 1.619 4.726 1 CA-C-O 110.184 -4.173 . . . . 0.0 118.856 167.701 . . . . . . . . 5 4 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 2 CA--C 1.648 4.725 0 O-C-N 126.964 2.665 . . . . 0.0 114.986 168.164 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.8 t . . . . . 2 N--CA 1.595 6.777 1 CA-C-O 111.166 -4.254 . . . . 0.0 107.737 . . . . . . . . . 2 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.449 ' HB2' ' HG1' ' A' ' 34' ' ' THR 0.31 1.7 pt-20 -33.35 -66.71 0.14 Allowed 'General case' 0 N--CA 1.538 3.967 0 O-C-N 128.485 3.616 . . . . 0.0 118.47 -167.645 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.363 16.1 tp10 -55.95 -51.87 77.03 Favored Pre-proline 0 C--N 1.273 -2.748 1 N-CA-C 126.815 5.857 . . . . 0.0 126.815 -177.187 . . . . . . . . 3 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 1.515 ' CA ' ' C ' ' A' ' 7' ' ' PRO . 36.5 Cg_endo -72.65 -49.85 0.25 Allowed 'Trans proline' 1 CA--C 1.769 12.258 0 CA-C-N 124.82 2.757 . . . . 0.0 118.121 169.597 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -45.95 17.26 Favored 'General case' 0 CA--C 1.478 -1.796 2 N-CA-C 123.011 4.448 . . . . 0.0 123.011 -174.577 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.9 m -68.64 -33.02 73.29 Favored 'General case' 1 C--O 1.325 5.066 0 O-C-N 116.345 -3.972 . . . . 0.0 116.07 -179.86 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.349 2.6 ttt180 -57.8 -47.97 81.05 Favored 'General case' 1 N--CA 1.557 4.876 2 O-C-N 115.967 -4.208 . . . . 0.0 115.758 160.897 . . . . . . . . 4 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -66.26 -25.14 66.75 Favored 'General case' 0 N--CA 1.512 2.664 1 CA-C-N 126.492 4.224 . . . . 0.0 113.831 170.846 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.445 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.552 0.2 OUTLIER -62.56 -35.97 81.17 Favored 'General case' 1 N--CA 1.583 6.175 1 O-C-N 114.374 -5.204 . . . . 0.0 112.924 164.94 . . . . . . . . 6 4 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -55.42 -33.17 63.31 Favored 'General case' 0 C--N 1.415 3.437 0 O-C-N 116.924 -3.61 . . . . 0.0 117.743 172.605 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.297 2.1 mpt_? -52.19 -34.56 45.86 Favored 'General case' 1 CA--C 1.63 4.035 0 O-C-N 128.877 3.861 . . . . 0.0 118.934 165.657 . . . . . . . . 3 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.273 53.0 m170 -50.33 -34.97 25.61 Favored 'General case' 1 CA--C 1.666 5.427 1 CA-C-N 105.301 -5.409 . . . . 0.0 118.708 167.736 . . . . . . . . 5 3 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.401 3.9 tt -50.64 -53.02 50.82 Favored Pre-proline 1 N--CA 1.595 6.798 2 O-C-N 115.077 -4.764 . . . . 0.0 106.612 -155.796 . . . . . . . . 4 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -47.55 -45.89 22.03 Favored 'Trans proline' 2 N--CA 1.38 -5.163 2 C-N-CA 127.386 5.391 . . . . 0.0 113.503 164.714 . . . . . . . . 3 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.506 1.7 pp -57.33 -47.53 81.32 Favored 'General case' 0 CA--C 1.608 3.189 2 CA-C-N 128.195 4.998 . . . . 0.0 122.028 170.103 . . . . . . . . 3 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.356 6.3 tt0 70.52 56.81 0.26 Allowed 'General case' 0 C--N 1.415 3.425 0 N-CA-C 119.795 3.257 . . . . 0.0 119.795 172.363 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -123.71 -32.34 3.33 Favored 'General case' 2 N--CA 1.616 7.858 1 O-C-N 116.223 -4.048 . . . . 0.0 111.446 168.669 . . . . . . . . 3 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.305 0.2 OUTLIER -116.34 48.65 1.23 Allowed 'General case' 0 CA--C 1.572 1.818 0 CA-C-O 126.988 3.28 . . . . 0.0 118.236 177.804 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.491 0.0 OUTLIER -58.07 -67.41 0.35 Allowed 'General case' 0 C--N 1.393 2.462 1 C-N-CA 133.126 4.57 . . . . 0.0 112.284 171.868 . . . . . . . . 4 3 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 52.8 p -84.19 -9.19 58.75 Favored 'General case' 1 CA--C 1.636 4.257 1 O-C-N 129.607 4.317 . . . . 0.0 111.1 173.684 . . . . . . . . 3 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.67 97.48 0.01 OUTLIER Glycine 2 N--CA 1.6 9.608 1 CA-C-O 113.208 -4.107 . . . . 0.0 120.059 -177.571 . . . . . . . . 3 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.323 1.7 Cg_endo -48.15 -15.96 0.53 Allowed 'Trans proline' 2 N--CA 1.572 6.119 0 CA-C-N 123.761 3.781 . . . . 0.0 118.577 -179.208 . . . . . . . . 3 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.53 -35.78 9.41 Favored 'General case' 1 C--N 1.429 4.053 0 O-C-N 118.167 -2.833 . . . . 0.0 117.279 -176.466 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 16.1 p -123.09 88.01 51.07 Favored Pre-proline 1 C--N 1.443 4.651 0 O-C-N 120.002 -1.686 . . . . 0.0 112.578 171.263 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -68.01 93.9 0.4 Allowed 'Trans proline' 2 C--N 1.511 9.103 1 C-N-CA 126.356 4.704 . . . . 0.0 116.829 -170.412 . . . . . . . . 3 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.371 . . 76.74 58.96 0.04 OUTLIER 'General case' 1 CA--C 1.652 4.903 1 O-C-N 129.767 4.417 . . . . 0.0 115.932 -169.696 . . . . . . . . 4 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.537 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 53.8 t -110.31 -14.72 14.1 Favored 'General case' 0 CA--C 1.62 3.638 0 O-C-N 119.289 -2.132 . . . . 0.0 111.996 176.724 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ttp -73.75 -16.96 61.16 Favored 'General case' 0 CA--C 1.607 3.168 0 N-CA-C 121.456 3.873 . . . . 0.0 121.456 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -86.39 -27.24 24.33 Favored 'General case' 0 CA--C 1.619 3.601 1 CA-C-O 110.621 -4.514 . . . . 0.0 119.613 171.72 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.338 . . -69.62 -34.74 74.51 Favored 'General case' 0 C--O 1.209 -1.032 1 O-C-N 131.33 5.394 . . . . 0.0 115.898 165.688 . . . . . . . . 3 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.449 ' HG1' ' HB2' ' A' ' 5' ' ' GLU 0.288 17.2 m -48.92 -37.97 21.45 Favored 'General case' 0 CA--C 1.618 3.567 0 N-CA-C 121.309 3.818 . . . . 0.0 121.309 -176.446 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.296 4.6 mp -58.36 -49.19 78.11 Favored 'General case' 1 C--N 1.432 4.164 0 CA-C-N 111.964 -2.38 . . . . 0.0 113.254 174.211 . . . . . . . . 3 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -65.24 -56.45 19.79 Favored Pre-proline 1 C--N 1.444 4.694 0 C-N-CA 114.678 -2.809 . . . . 0.0 112.236 -168.679 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.452 6.3 Cg_exo -64.11 -30.47 65.56 Favored 'Trans proline' 1 C--N 1.428 4.741 1 CA-C-O 108.853 -4.728 . . . . 0.0 115.819 171.72 . . . . . . . . 4 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.292 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.841 1 CA-C-N 128.719 5.236 . . . . 0.0 113.12 171.347 . . . . . . . . 3 2 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.0 t . . . . . 2 N--CA 1.583 6.2 0 CA-C-O 115.07 -2.395 . . . . 0.0 108.582 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.634 ' HG3' ' H ' ' A' ' 6' ' ' GLU 0.354 0.6 OUTLIER -21.44 -79.58 0.01 OUTLIER 'General case' 1 CA--C 1.698 6.651 0 CA-C-O 112.096 -3.811 . . . . 0.0 114.702 -172.783 . . . . . . . . 5 4 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.634 ' H ' ' HG3' ' A' ' 5' ' ' GLU . 12.5 tp10 -54.91 -41.09 88.58 Favored Pre-proline 0 CA--C 1.612 3.336 2 O-C-N 130.764 5.04 . . . . 0.0 123.25 -164.163 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.35 -62.92 0.03 OUTLIER 'Trans proline' 1 N--CA 1.54 4.252 0 C-N-CA 123.659 2.906 . . . . 0.0 113.384 172.497 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.324 1.6 m -70.58 -45.44 65.37 Favored 'General case' 2 C--N 1.448 4.88 0 N-CA-C 120.464 3.505 . . . . 0.0 120.464 -164.613 . . . . . . . . 3 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.437 45.0 m -72.31 -36.81 68.99 Favored 'General case' 1 N--CA 1.591 6.608 2 O-C-N 131.845 5.716 . . . . 0.0 110.514 -166.181 . . . . . . . . 4 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.392 3.9 ttt180 -65.37 -36.28 83.5 Favored 'General case' 0 C--N 1.428 3.99 0 N-CA-C 118.192 2.664 . . . . 0.0 118.192 174.475 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -70.23 -34.21 72.58 Favored 'General case' 0 C--O 1.169 -3.146 0 CA-C-O 115.176 -2.345 . . . . 0.0 112.3 165.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.3 0.1 OUTLIER -60.98 -30.19 70.12 Favored 'General case' 0 CA--C 1.44 -3.267 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 162.326 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.334 54.9 m -50.68 -45.85 58.4 Favored 'General case' 2 N--CA 1.552 4.635 0 CA-C-O 126.776 3.179 . . . . 0.0 109.833 178.239 . . . . . . . . 3 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -52.12 -31.94 33.15 Favored 'General case' 1 N--CA 1.542 4.128 1 CA-C-O 109.082 -5.247 . . . . 0.0 109.909 169.412 . . . . . . . . 3 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.334 2.9 m170 -55.92 -29.86 60.74 Favored 'General case' 0 C--O 1.153 -3.981 1 CA-C-N 129.759 5.709 . . . . 0.0 116.04 168.687 . . . . . . . . 3 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -51.01 -52.06 61.74 Favored Pre-proline 1 CA--C 1.635 4.213 1 CA-C-O 108.219 -5.658 . . . . 0.0 109.527 -167.333 . . . . . . . . 3 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 1.477 ' CD ' ' CG ' ' A' ' 17' ' ' PRO 0.377 41.7 Cg_exo -42.63 -36.1 4.55 Favored 'Trans proline' 0 CA--C 1.579 2.733 1 CA-C-N 128.599 4.107 . . . . 0.0 121.744 165.655 . . . . . . . . 4 3 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.598 HD21 ' CZ ' ' A' ' 20' ' ' PHE 0.449 2.0 pp -74.47 -50.33 18.72 Favored 'General case' 1 N--CA 1.56 5.057 0 O-C-N 119.492 -2.005 . . . . 0.0 109.67 -176.392 . . . . . . . . 4 3 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 72.17 57.35 0.15 Allowed 'General case' 0 C--O 1.205 -1.276 1 N-CA-C 126.819 5.859 . . . . 0.0 126.819 172.755 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 2.3 p90 -127.71 -34.32 2.2 Favored 'General case' 0 N--CA 1.53 3.528 0 CA-C-N 112.574 -2.103 . . . . 0.0 112.438 171.347 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.41 65.0 0.83 Allowed 'General case' 0 C--N 1.384 2.099 0 CA-C-O 124.99 2.329 . . . . 0.0 107.162 174.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.553 ' H ' ' HD3' ' A' ' 22' ' ' ARG 0.251 0.0 OUTLIER -68.14 -51.61 44.11 Favored 'General case' 0 C--O 1.289 3.136 1 C-N-CA 132.336 4.255 . . . . 0.0 113.183 165.17 . . . . . . . . 5 4 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.3 p -100.6 5.52 43.94 Favored 'General case' 0 CA--C 1.619 3.602 0 CA-C-N 109.415 -3.538 . . . . 0.0 114.899 179.192 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 30.95 96.92 0.01 OUTLIER Glycine 1 N--CA 1.663 13.773 0 O-C-N 127.432 2.958 . . . . 0.0 120.383 -169.829 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.38 4.0 Cg_exo -29.68 -19.64 0.01 OUTLIER 'Trans proline' 1 N--CA 1.611 8.419 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 172.483 . . . . . . . . 3 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.17 -44.86 7.44 Favored 'General case' 0 CA--C 1.454 -2.73 0 N-CA-C 119.549 3.166 . . . . 0.0 119.549 -179.212 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 26.1 p -120.04 104.3 44.11 Favored Pre-proline 0 C--N 1.251 -3.679 2 O-C-N 110.118 -7.864 . . . . 0.0 103.03 174.016 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -85.25 99.96 0.69 Allowed 'Trans proline' 2 CA--C 1.636 5.613 3 C-N-CA 128.571 6.18 . . . . 0.0 108.608 -164.853 . . . . . . . . 3 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.534 . . 77.11 59.21 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 124.337 3.244 . . . . 0.0 111.425 -175.702 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.433 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 53.5 t -112.11 -27.78 8.24 Favored 'General case' 0 CA--C 1.606 3.122 0 CA-C-N 111.081 -2.781 . . . . 0.0 114.061 167.243 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.5 ttp -52.34 -16.79 0.93 Allowed 'General case' 1 C--N 1.432 4.16 0 N-CA-C 119.497 3.147 . . . . 0.0 119.497 173.847 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -93.03 -32.8 14.36 Favored 'General case' 1 CA--C 1.689 6.323 0 O-C-N 117.765 -3.084 . . . . 0.0 109.627 -170.218 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.46 ' O ' ' HD2' ' A' ' 37' ' ' PRO . . . -56.77 -34.75 67.92 Favored 'General case' 0 N--CA 1.529 3.492 1 CA-C-O 110.463 -4.589 . . . . 0.0 114.011 160.829 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.5 m -50.49 -36.47 33.94 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 124.717 3.417 . . . . 0.0 111.468 -171.782 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.331 5.2 mp -65.78 -53.45 40.26 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 174.398 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.255 33.6 mt-30 -58.14 -53.95 60.68 Favored Pre-proline 1 N--CA 1.545 4.286 1 O-C-N 111.602 -6.936 . . . . 0.0 115.39 178.274 . . . . . . . . 4 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.343 7.7 Cg_exo -57.64 -36.92 98.37 Favored 'Trans proline' 1 N--CA 1.563 5.559 0 C-N-CA 124.791 3.661 . . . . 0.0 115.226 172.303 . . . . . . . . 4 3 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.383 0.0 OUTLIER . . . . . 1 C--N 1.506 7.374 0 O-C-N 127.355 2.909 . . . . 0.0 116.686 -178.814 . . . . . . . . 3 2 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.405 6.2 t . . . . . 1 N--CA 1.547 4.399 0 CA-C-O 115.239 -2.315 . . . . 0.0 113.262 . . . . . . . . . 2 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.461 ' OE1' ' HG2' ' A' ' 37' ' ' PRO 0.337 1.1 pt-20 -29.14 -66.53 0.09 Allowed 'General case' 0 C--N 1.276 -2.627 1 O-C-N 132.15 5.906 . . . . 0.0 121.733 -172.393 . . . . . . . . 4 3 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.596 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 15.3 tp10 -69.37 -61.37 3.3 Favored Pre-proline 1 CA--C 1.69 6.358 2 N-CA-C 125.078 5.214 . . . . 0.0 125.078 -168.024 . . . . . . . . 4 3 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.596 ' HD3' ' HB3' ' A' ' 6' ' ' GLU . 95.3 Cg_endo -72.11 -40.36 2.53 Favored 'Trans proline' 0 CA--C 1.486 -1.894 0 C-N-CA 124.536 3.491 . . . . 0.0 118.543 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.6 m -73.67 -46.21 47.88 Favored 'General case' 1 C--N 1.443 4.642 0 N-CA-C 117.055 2.242 . . . . 0.0 117.055 175.59 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.428 29.7 m -72.56 -40.89 66.3 Favored 'General case' 0 CA--C 1.623 3.776 0 CA-C-N 109.331 -3.577 . . . . 0.0 114.148 -170.518 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.22 -40.79 74.62 Favored 'General case' 1 CA--C 1.636 4.256 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 165.631 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -64.52 -39.87 94.57 Favored 'General case' 1 N--CA 1.55 4.553 0 CA-C-N 124.361 3.255 . . . . 0.0 105.99 168.063 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.587 ' HB2' HH11 ' A' ' 12' ' ' ARG 0.526 0.3 OUTLIER -49.24 -30.24 6.86 Favored 'General case' 1 C--N 1.473 5.951 0 N-CA-C 121.602 3.927 . . . . 0.0 121.602 164.762 . . . . . . . . 5 4 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.432 28.6 m -56.24 -35.17 67.08 Favored 'General case' 0 C--N 1.414 3.382 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 179.075 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.21 -32.63 56.27 Favored 'General case' 0 C--N 1.391 2.392 0 CA-C-N 111.738 -2.483 . . . . 0.0 116.615 165.285 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.584 ' HD1' ' HG ' ' A' ' 21' ' ' SER 0.418 0.5 OUTLIER -49.48 -26.84 3.69 Favored 'General case' 1 N--CA 1.541 4.103 0 N-CA-C 118.824 2.898 . . . . 0.0 118.824 159.089 . . . . . . . . 5 4 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -40.73 86.62 Favored Pre-proline 1 N--CA 1.541 4.122 2 CA-C-O 108.937 -5.316 . . . . 0.0 113.435 -173.437 . . . . . . . . 4 3 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.436 6.1 Cg_exo -53.13 -52.34 8.99 Favored 'Trans proline' 0 CA--C 1.587 3.171 2 C-N-CA 129.896 7.064 . . . . 0.0 118.713 172.469 . . . . . . . . 3 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.353 4.1 pp -67.64 -30.36 69.9 Favored 'General case' 1 N--CA 1.586 6.368 1 CA-C-N 104.209 -5.905 . . . . 0.0 118.632 -173.936 . . . . . . . . 4 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 1.416 ' NE2' HE21 ' A' ' 19' ' ' GLN 0.278 7.1 tt0 62.26 58.35 1.79 Allowed 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 123.428 1.585 . . . . 0.0 114.445 172.827 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.498 0.8 OUTLIER -145.36 -29.79 0.43 Allowed 'General case' 1 N--CA 1.547 4.376 0 N-CA-C 117.699 2.481 . . . . 0.0 117.699 170.878 . . . . . . . . 4 3 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.584 ' HG ' ' HD1' ' A' ' 15' ' ' HIS 0.381 6.6 t -126.64 80.85 1.96 Allowed 'General case' 0 N--CA 1.496 1.874 1 N-CA-C 99.297 -4.334 . . . . 0.0 99.297 161.137 . . . . . . . . 4 3 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.536 ' H ' ' HD3' ' A' ' 22' ' ' ARG 0.362 0.0 OUTLIER -88.12 -51.73 5.63 Favored 'General case' 1 N--CA 1.623 8.222 0 CA-C-N 111.832 -2.44 . . . . 0.0 116.36 164.072 . . . . . . . . 5 4 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 p -74.94 -59.93 2.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 118.064 -2.897 . . . . 0.0 112.292 160.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.08 117.48 4.3 Favored Glycine 1 CA--C 1.661 9.201 0 CA-C-O 113.684 -3.842 . . . . 0.0 112.996 -168.504 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -77.48 4.95 5.51 Favored 'Trans proline' 0 C--N 1.382 2.328 0 CA-C-N 122.35 3.075 . . . . 0.0 116.172 170.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.49 2.5 mp -84.43 -74.78 0.37 Allowed 'General case' 1 N--CA 1.609 7.478 0 CA-C-O 114.441 -2.695 . . . . 0.0 108.058 166.559 . . . . . . . . 3 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.886 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 28.4 p -89.96 109.34 32.11 Favored Pre-proline 0 CA--C 1.567 1.631 0 C-N-CA 130.347 3.459 . . . . 0.0 107.38 169.185 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -67.21 114.18 3.13 Favored 'Trans proline' 1 CA--C 1.663 6.945 0 CA-C-N 121.583 1.601 . . . . 0.0 113.682 166.41 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.24 72.2 0.54 Allowed 'General case' 1 N--CA 1.574 5.761 2 O-C-N 135.206 7.816 . . . . 0.0 121.44 178.483 . . . . . . . . 3 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.886 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.343 44.3 t -115.11 -7.62 12.46 Favored 'General case' 0 CA--C 1.628 3.978 0 C-N-CA 125.219 1.407 . . . . 0.0 113.048 -166.903 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.365 33.5 ttp -87.1 -30.85 20.8 Favored 'General case' 1 CA--C 1.634 4.196 0 CA-C-O 111.773 -3.965 . . . . 0.0 116.852 -161.21 . . . . . . . . 3 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -70.16 -33.06 71.31 Favored 'General case' 0 CA--C 1.611 3.324 0 O-C-N 126.639 2.462 . . . . 0.0 114.619 -169.58 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.305 . . -67.8 -40.18 83.9 Favored 'General case' 1 N--CA 1.594 6.737 0 C-N-CA 131.143 3.777 . . . . 0.0 119.732 173.274 . . . . . . . . 3 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.257 26.9 m -39.56 -59.88 1.04 Allowed 'General case' 1 CA--C 1.71 7.097 0 C-N-CA 128.006 2.522 . . . . 0.0 107.452 160.472 . . . . . . . . 3 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mp -47.63 -40.7 20.27 Favored 'General case' 2 CA--C 1.702 6.798 1 CA-C-O 109.72 -4.943 . . . . 0.0 110.039 178.549 . . . . . . . . 3 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.358 4.6 mt-30 -65.83 -65.64 1.71 Allowed Pre-proline 2 N--CA 1.615 7.8 1 CA-C-O 111.668 -4.015 . . . . 0.0 106.467 170.394 . . . . . . . . 4 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HG2' ' OE1' ' A' ' 5' ' ' GLU 0.515 2.1 Cg_endo -58.0 -17.56 31.57 Favored 'Trans proline' 1 CA--C 1.604 4.015 1 CA-C-N 130.2 4.678 . . . . 0.0 116.655 -175.584 . . . . . . . . 5 3 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.351 1.7 pp20? . . . . . 2 CA--C 1.651 4.848 1 O-C-N 113.596 -5.69 . . . . 0.0 112.199 170.153 . . . . . . . . 3 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 116.998 -1.477 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.286 3.7 pt-20 -51.24 -62.86 1.36 Allowed 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.669 1.577 . . . . 0.0 114.143 -170.236 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.27 8.1 tp10 -68.47 -68.19 0.66 Allowed Pre-proline 0 CA--C 1.576 1.971 0 CA-C-O 113.884 -2.96 . . . . 0.0 113.579 -177.535 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.266 10.6 Cg_endo -71.23 -57.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.375 1.953 0 CA-C-N 127.488 3.71 . . . . 0.0 115.344 -177.179 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.276 15.8 m -73.62 -38.44 65.07 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 120.294 3.442 . . . . 0.0 120.294 -174.554 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -72.06 -30.28 64.98 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -62.92 -39.46 94.61 Favored 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 165.368 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -63.69 -29.22 70.47 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 164.12 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.46 1.3 ptp180 -66.89 -28.73 68.56 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 120.766 1.621 . . . . 0.0 114.786 165.194 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.303 7.1 m -60.18 -28.2 67.75 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 159.844 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.328 1.4 mpt_? -65.19 -24.64 67.43 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 163.429 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -67.31 -27.57 67.27 Favored 'General case' 0 CA--C 1.58 2.119 0 CA-C-N 119.048 0.84 . . . . 0.0 111.207 162.32 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.259 6.2 tt -65.48 -36.83 16.04 Favored Pre-proline 0 N--CA 1.499 1.99 0 CA-C-O 115.663 -2.113 . . . . 0.0 112.708 -175.785 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -48.17 -32.27 18.63 Favored 'Trans proline' 0 CA--C 1.578 2.704 0 CA-C-N 125.302 2.929 . . . . 0.0 116.531 160.457 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -87.89 -46.04 9.75 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 167.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.343 13.2 tt0 66.77 19.09 10.74 Favored 'General case' 0 CA--C 1.578 2.053 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 174.665 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.307 29.6 p90 -83.25 -36.02 24.89 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 119.918 -1.739 . . . . 0.0 113.727 165.388 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.2 t -86.34 45.55 1.25 Allowed 'General case' 0 CA--C 1.58 2.104 0 O-C-N 120.701 -1.25 . . . . 0.0 113.809 166.005 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -46.14 79.86 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 169.02 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -67.24 -54.44 20.92 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 110.784 -2.916 . . . . 0.0 113.616 166.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.86 78.16 0.12 Allowed Glycine 0 CA--C 1.559 2.782 0 CA-C-O 116.029 -2.539 . . . . 0.0 119.325 169.475 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -68.26 69.41 0.97 Allowed 'Trans proline' 0 CA--C 1.575 2.568 0 CA-C-N 123.35 3.575 . . . . 0.0 118.786 -175.348 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -126.44 -52.41 1.49 Allowed 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 124.376 1.07 . . . . 0.0 112.409 -176.426 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 7.0 p -137.04 144.14 45.06 Favored Pre-proline 0 CA--C 1.58 2.133 0 CA-C-N 119.572 1.078 . . . . 0.0 113.333 -176.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -76.11 98.59 1.21 Allowed 'Trans proline' 0 CA--C 1.569 2.259 0 C-N-CA 122.631 2.221 . . . . 0.0 115.099 -174.446 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.31 47.53 18.96 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -179.718 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.54 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 48.7 t -99.62 -10.45 21.99 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 -169.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -74.12 -37.77 64.01 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 170.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -58.56 -36.86 74.59 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 169.065 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.1 -41.75 75.72 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 167.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.2 m -49.43 -36.71 23.17 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 165.758 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.418 0.9 OUTLIER -72.56 -26.02 61.57 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 168.56 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.8 -45.48 79.91 Favored Pre-proline 0 CA--C 1.59 2.502 0 CA-C-N 121.264 1.847 . . . . 0.0 110.469 161.544 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -72.95 -49.03 0.25 Allowed 'Trans proline' 0 CA--C 1.578 2.715 0 CA-C-N 123.459 2.271 . . . . 0.0 117.191 160.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 N--CA 1.49 1.531 0 CA-C-N 122.956 2.616 . . . . 0.0 112.825 -175.238 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.379 6.0 p-90 . . . . . 0 N--CA 1.494 1.755 0 N-CA-C 119.143 3.016 . . . . 0.0 119.143 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mp -54.34 -44.5 72.18 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 167.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.279 6.6 tp -54.85 -36.75 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 163.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -61.17 -67.53 0.4 Allowed 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 116.998 -1.477 . . . . 0.0 111.625 167.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.286 3.7 pt-20 -51.24 -62.86 1.36 Allowed 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.669 1.577 . . . . 0.0 114.143 -170.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.27 8.0 tp10 -68.47 -68.19 0.66 Allowed Pre-proline 0 CA--C 1.576 1.971 0 CA-C-O 113.884 -2.96 . . . . 0.0 113.579 -177.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.266 10.6 Cg_endo -71.23 -57.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.375 1.953 0 CA-C-N 127.488 3.71 . . . . 0.0 115.344 -177.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.276 15.8 m -73.62 -38.44 65.07 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 120.294 3.442 . . . . 0.0 120.294 -174.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -72.06 -30.28 64.98 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -62.92 -39.46 94.61 Favored 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 165.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -63.69 -29.22 70.47 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 164.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.46 1.3 ptp180 -66.89 -28.73 68.56 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 120.766 1.621 . . . . 0.0 114.786 165.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.303 7.1 m -60.18 -28.2 67.75 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 159.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.328 1.4 mpt_? -65.19 -24.64 67.43 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 163.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -67.31 -27.57 67.27 Favored 'General case' 0 CA--C 1.58 2.119 0 CA-C-N 119.048 0.84 . . . . 0.0 111.207 162.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.259 6.2 tt -65.48 -36.83 16.04 Favored Pre-proline 0 N--CA 1.499 1.99 0 CA-C-O 115.663 -2.113 . . . . 0.0 112.708 -175.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -48.17 -32.27 18.63 Favored 'Trans proline' 0 CA--C 1.578 2.704 0 CA-C-N 125.302 2.929 . . . . 0.0 116.531 160.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -87.89 -46.04 9.75 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 167.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.343 13.2 tt0 66.77 19.09 10.74 Favored 'General case' 0 CA--C 1.578 2.053 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 174.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.307 29.6 p90 -83.25 -36.02 24.89 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 119.918 -1.739 . . . . 0.0 113.727 165.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.2 t -86.34 45.55 1.25 Allowed 'General case' 0 CA--C 1.58 2.104 0 O-C-N 120.701 -1.25 . . . . 0.0 113.809 166.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -46.14 79.86 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 169.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -67.24 -54.44 20.92 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 110.784 -2.916 . . . . 0.0 113.616 166.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.86 78.16 0.12 Allowed Glycine 0 CA--C 1.559 2.782 0 CA-C-O 116.029 -2.539 . . . . 0.0 119.325 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -68.26 69.41 0.97 Allowed 'Trans proline' 0 CA--C 1.575 2.568 0 CA-C-N 123.35 3.575 . . . . 0.0 118.786 -175.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -126.44 -52.41 1.49 Allowed 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 124.376 1.07 . . . . 0.0 112.409 -176.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 7.0 p -137.04 144.14 45.06 Favored Pre-proline 0 CA--C 1.58 2.133 0 CA-C-N 119.572 1.078 . . . . 0.0 113.333 -176.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -76.11 98.59 1.21 Allowed 'Trans proline' 0 CA--C 1.569 2.259 0 C-N-CA 122.631 2.221 . . . . 0.0 115.099 -174.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.31 47.53 18.96 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.54 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 48.7 t -99.62 -10.45 21.99 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 -169.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -74.12 -37.77 64.01 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 170.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -58.56 -36.86 74.59 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 169.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.1 -41.75 75.72 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 167.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.2 m -49.43 -36.71 23.17 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 165.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.418 0.9 OUTLIER -72.56 -26.02 61.57 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 168.56 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.8 -45.48 79.91 Favored Pre-proline 0 CA--C 1.59 2.502 0 CA-C-N 121.264 1.847 . . . . 0.0 110.469 161.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -72.95 -49.03 0.25 Allowed 'Trans proline' 0 CA--C 1.578 2.715 0 CA-C-N 123.459 2.271 . . . . 0.0 117.191 160.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--O 1.27 2.156 0 CA-C-N 122.956 2.616 . . . . 0.0 112.825 -175.238 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.377 10.8 p-90 . . . . . 0 N--CA 1.506 2.374 0 N-CA-C 115.856 1.799 . . . . 0.0 115.856 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.32 10.0 mp -49.57 -42.82 45.33 Favored 'General case' 1 N--CA 1.629 8.494 0 CA-C-N 113.116 -1.856 . . . . 0.0 111.143 167.876 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.403 5.6 tp -58.7 -39.79 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.342 0 C-N-CA 128.253 2.621 . . . . 0.0 108.96 168.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.278 4.1 t -69.5 -56.95 5.92 Favored 'General case' 2 C--N 1.46 5.37 0 O-C-N 127.07 2.731 . . . . 0.0 106.313 -179.257 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -66.21 -43.18 87.47 Favored 'General case' 0 CA--C 1.609 3.238 0 CA-C-O 114.074 -2.87 . . . . 0.0 114.67 -166.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.307 7.5 tp10 -75.97 -65.0 0.48 Allowed Pre-proline 0 C--N 1.366 1.325 0 CA-C-O 114.843 -2.503 . . . . 0.0 115.885 177.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -72.43 -54.3 0.13 Allowed 'Trans proline' 1 N--CA 1.578 6.465 0 CA-C-N 126.634 3.405 . . . . 0.0 109.751 -177.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.276 93.9 m -77.76 -45.51 24.41 Favored 'General case' 1 N--CA 1.552 4.645 0 CA-C-O 125.168 2.414 . . . . 0.0 109.563 -161.403 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.319 0.5 OUTLIER -68.4 -33.39 74.15 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 118.044 -2.91 . . . . 0.0 113.513 178.849 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -57.88 -40.87 81.29 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 162.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.267 22.6 m-80 -60.88 -39.41 89.12 Favored 'General case' 1 N--CA 1.589 6.511 0 O-C-N 120.379 -1.451 . . . . 0.0 113.727 160.148 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.722 0.7 OUTLIER -49.84 -44.79 49.69 Favored 'General case' 1 CA--C 1.705 6.941 1 O-C-N 115.892 -4.255 . . . . 0.0 108.83 168.677 . . . . . . . . 5 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 1.475 ' CA ' ' C ' ' A' ' 13' ' ' THR . 75.1 m -60.51 -34.65 74.39 Favored 'General case' 1 CA--C 1.8 10.573 2 N-CA-C 98.717 -4.549 . . . . 0.0 98.717 -176.787 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.43 1.9 mpt_? -56.03 -35.31 66.72 Favored 'General case' 0 CA--C 1.612 3.35 0 O-C-N 118.227 -2.796 . . . . 0.0 112.209 166.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.375 9.9 m170 -51.8 -36.29 47.23 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 114.029 -2.891 . . . . 0.0 115.219 157.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.377 8.1 tt -67.83 -36.54 9.83 Favored Pre-proline 1 N--CA 1.616 7.829 0 C-N-CA 129.041 2.936 . . . . 0.0 103.693 -169.409 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -52.96 -41.18 73.08 Favored 'Trans proline' 0 CA--C 1.484 -1.983 2 O-C-N 109.822 -5.936 . . . . 0.0 113.919 167.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 pp -81.48 -39.48 24.72 Favored 'General case' 1 N--CA 1.589 6.503 1 O-C-N 109.607 -8.183 . . . . 0.0 120.988 170.298 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.456 12.9 tt0 75.03 6.73 4.27 Favored 'General case' 2 CA--C 1.692 6.405 0 C-N-CA 130.935 3.694 . . . . 0.0 113.434 165.243 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.496 1.3 p90 -73.57 -37.58 65.46 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 171.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -95.51 56.55 1.83 Allowed 'General case' 1 CA--C 1.699 6.696 0 CA-C-O 125.616 2.626 . . . . 0.0 107.962 172.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -29.75 43.56 Favored 'General case' 0 CA--C 1.619 3.603 1 N-CA-C 122.731 4.345 . . . . 0.0 122.731 170.527 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 p -88.72 -44.53 10.5 Favored 'General case' 0 CA--C 1.618 3.581 1 CA-C-N 101.423 -7.171 . . . . 0.0 109.524 170.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.59 80.66 0.05 OUTLIER Glycine 1 CA--C 1.638 7.738 1 CA-C-O 113.098 -4.168 . . . . 0.0 118.159 172.203 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -74.64 79.03 2.64 Favored 'Trans proline' 0 C--N 1.397 3.085 2 CA-C-O 131.23 4.596 . . . . 0.0 114.592 -166.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.25 4.1 mp -139.08 -48.62 0.49 Allowed 'General case' 2 N--CA 1.604 7.247 1 O-C-N 112.415 -6.428 . . . . 0.0 105.446 -164.18 . . . . . . . . 4 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.479 20.4 p -135.8 147.94 63.22 Favored Pre-proline 1 N--CA 1.587 6.419 0 CA-C-O 115.637 -2.125 . . . . 0.0 109.073 -175.569 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.372 79.1 Cg_endo -69.2 104.48 1.24 Allowed 'Trans proline' 2 N--CA 1.66 11.316 0 C-N-CA 123.323 2.682 . . . . 0.0 113.92 166.973 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.311 . . 54.47 50.82 15.28 Favored 'General case' 2 CA--C 1.665 5.403 0 CA-C-O 116.51 -1.709 . . . . 0.0 112.491 167.484 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.435 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.302 41.1 t -108.25 -10.56 15.36 Favored 'General case' 0 C--O 1.279 2.611 0 O-C-N 116.777 -3.702 . . . . 0.0 116.006 -168.705 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.451 1.2 tmt? -65.94 -49.58 67.42 Favored 'General case' 0 C--N 1.398 2.688 0 CA-C-O 115.279 -2.296 . . . . 0.0 114.685 170.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -56.15 -28.16 56.97 Favored 'General case' 1 N--CA 1.624 8.258 0 N-CA-C 120.976 3.695 . . . . 0.0 120.976 172.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.75 88.25 Favored 'General case' 1 N--CA 1.578 5.955 0 CA-C-O 114.853 -2.499 . . . . 0.0 116.847 165.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 m -48.15 -42.69 30.16 Favored 'General case' 0 CA--C 1.593 2.608 1 O-C-N 131.292 5.37 . . . . 0.0 113.31 164.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 1.584 ' CD1' HD13 ' A' ' 35' ' ' LEU 0.575 0.9 OUTLIER -60.21 -32.08 70.77 Favored 'General case' 1 N--CA 1.554 4.77 0 C-N-CA 129.184 2.994 . . . . 0.0 113.866 165.714 . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -59.5 -44.73 98.33 Favored Pre-proline 1 N--CA 1.557 4.882 0 O-C-N 117.295 -3.378 . . . . 0.0 105.396 170.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -73.28 -44.27 0.58 Allowed 'Trans proline' 0 N--CA 1.517 2.877 1 CA-C-N 132.298 5.428 . . . . 0.0 118.6 158.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.385 35.9 tt0 . . . . . 1 CA--C 1.631 4.074 0 CA-C-N 124.65 3.386 . . . . 0.0 115.339 -176.535 . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.271 18.7 p-90 . . . . . 0 N--CA 1.525 3.293 0 CA-C-O 125.293 2.473 . . . . 0.0 111.307 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.16 -27.23 69.23 Favored 'General case' 1 C--N 1.475 6.063 1 O-C-N 115.369 -4.582 . . . . 0.0 112.891 172.768 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.273 6.2 tp -71.79 -21.66 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 115.972 1.842 . . . . 0.0 115.972 162.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t -69.03 -67.94 0.44 Allowed 'General case' 0 CA--C 1.588 2.413 0 O-C-N 126.015 2.072 . . . . 0.0 105.806 173.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 1.53 ' HG2' ' CG ' ' A' ' 5' ' ' GLU 0.274 2.8 pt-20 -55.06 -53.0 61.44 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 118.518 -2.614 . . . . 0.0 115.935 -170.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.378 5.5 tp10 -73.48 -66.28 0.55 Allowed Pre-proline 0 C--N 1.427 3.938 0 O-C-N 116.305 -3.997 . . . . 0.0 117.625 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -65.93 -58.97 0.15 Allowed 'Trans proline' 0 C--O 1.246 0.923 0 CA-C-N 127.643 3.765 . . . . 0.0 114.868 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.396 97.6 m -68.41 -49.09 62.56 Favored 'General case' 0 C--N 1.415 3.428 2 CA-C-O 130.978 5.18 . . . . 0.0 119.985 -169.721 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.384 0.1 OUTLIER -62.86 -38.26 90.1 Favored 'General case' 0 C--O 1.284 2.902 0 CA-C-N 109.843 -3.344 . . . . 0.0 115.984 174.461 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.8 ttt-85 -60.82 -42.34 97.5 Favored 'General case' 0 N--CA 1.53 3.555 1 CA-C-O 110.195 -4.717 . . . . 0.0 103.918 166.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -68.65 -30.09 68.72 Favored 'General case' 0 CA--C 1.617 3.54 1 CA-C-N 126.233 4.106 . . . . 0.0 117.304 166.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.386 3.0 ptp180 -57.87 -28.58 64.3 Favored 'General case' 0 C--N 1.371 1.54 1 O-C-N 115.844 -4.285 . . . . 0.0 114.39 165.776 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.2 m -62.45 -34.11 76.15 Favored 'General case' 2 CA--C 1.705 6.925 0 CA-C-O 115.716 -2.087 . . . . 0.0 106.375 171.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.359 1.4 mpt_? -55.44 -32.92 63.15 Favored 'General case' 1 N--CA 1.544 4.239 0 CA-C-N 120.964 1.711 . . . . 0.0 112.08 164.805 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.33 23.9 m170 -58.64 -30.53 67.38 Favored 'General case' 0 CA--C 1.627 3.933 1 CA-C-O 109.753 -4.927 . . . . 0.0 116.565 160.999 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.291 8.8 tt -70.57 -31.11 2.03 Favored Pre-proline 0 N--CA 1.517 2.915 1 O-C-N 129.441 4.213 . . . . 0.0 106.196 -173.062 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -31.9 92.25 Favored 'Trans proline' 1 N--CA 1.558 5.318 0 O-C-N 113.893 -3.793 . . . . 0.0 111.341 168.064 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -81.54 -48.65 11.54 Favored 'General case' 0 CA--C 1.623 3.777 1 O-C-N 111.391 -7.068 . . . . 0.0 115.017 171.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.754 14.5 tt0 76.77 2.96 3.41 Favored 'General case' 0 C--O 1.271 2.198 1 N-CA-C 123.836 4.754 . . . . 0.0 123.836 175.406 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.268 2.2 p90 -82.19 -28.88 31.77 Favored 'General case' 0 C--N 1.41 3.238 1 O-C-N 115.864 -4.272 . . . . 0.0 114.346 177.445 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.305 46.2 t -94.94 58.23 2.19 Favored 'General case' 1 CA--C 1.665 5.366 1 CA-C-O 130.504 4.954 . . . . 0.0 111.133 165.86 . . . . . . . . 4 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -18.76 28.74 Favored 'General case' 1 C--O 1.352 6.462 3 N-CA-C 126.027 5.566 . . . . 0.0 126.027 173.361 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -90.43 -51.11 5.58 Favored 'General case' 0 CA--C 1.606 3.109 1 CA-C-N 105.004 -5.544 . . . . 0.0 103.855 171.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.24 72.38 0.57 Allowed Glycine 2 C--N 1.445 6.636 1 CA-C-O 108.809 -6.55 . . . . 0.0 118.234 175.68 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -69.77 81.16 0.84 Allowed 'Trans proline' 1 N--CA 1.633 9.681 1 CA-C-N 128.447 6.124 . . . . 0.0 108.444 -164.632 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.457 6.2 mp -146.53 -40.15 0.21 Allowed 'General case' 0 C--N 1.256 -3.46 0 CA-C-O 124.355 2.026 . . . . 0.0 111.057 -168.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . 0.312 16.3 p -140.64 145.88 42.24 Favored Pre-proline 0 N--CA 1.507 2.379 0 O-C-N 116.786 -3.696 . . . . 0.0 110.8 174.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -67.81 108.57 1.7 Allowed 'Trans proline' 1 C--N 1.421 4.362 0 CA-C-N 124.227 2.545 . . . . 0.0 111.885 175.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 1.562 ' HB2' ' CB ' ' A' ' 29' ' ' ALA . . . 53.16 49.65 19.49 Favored 'General case' 1 CA--C 1.641 4.466 1 O-C-N 115.305 -4.622 . . . . 0.0 113.546 166.304 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . 0.392 14.1 t -115.26 3.99 14.38 Favored 'General case' 1 N--CA 1.593 6.707 1 O-C-N 113.988 -5.445 . . . . 0.0 113.441 -169.101 . . . . . . . . 4 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.364 1.4 tmt? -73.3 -44.39 59.21 Favored 'General case' 0 C--N 1.398 2.704 1 O-C-N 131.769 5.668 . . . . 0.0 111.997 170.733 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -60.43 -25.27 65.83 Favored 'General case' 1 C--N 1.475 6.039 0 N-CA-C 121.269 3.803 . . . . 0.0 121.269 174.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.09 -31.93 71.01 Favored 'General case' 0 C--N 1.398 2.691 1 N-CA-C 124.216 4.895 . . . . 0.0 124.216 171.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.7 m -60.3 -36.93 79.03 Favored 'General case' 1 CA--C 1.726 7.72 1 CA-C-O 109.676 -4.964 . . . . 0.0 104.577 166.192 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 1.522 ' CD1' HD13 ' A' ' 35' ' ' LEU 0.396 1.2 mp -69.39 -28.94 66.61 Favored 'General case' 0 C--N 1.367 1.354 0 CA-C-N 125.419 3.736 . . . . 0.0 109.966 170.38 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -52.16 -53.76 48.71 Favored Pre-proline 1 CA--C 1.639 4.399 0 CA-C-N 123.591 2.905 . . . . 0.0 108.794 164.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.66 -53.02 1.1 Allowed 'Trans proline' 1 N--CA 1.56 5.424 1 CA-C-N 129.621 4.472 . . . . 0.0 115.516 161.779 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.279 50.7 tt0 . . . . . 1 C--O 1.318 4.688 0 CA-C-O 112.083 -3.818 . . . . 0.0 120.726 -175.703 . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 18.3 p-90 . . . . . 1 CA--C 1.676 5.815 0 CA-C-O 115.425 -2.226 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.12 -33.52 75.96 Favored 'General case' 0 CA--C 1.594 2.671 0 O-C-N 125.041 1.463 . . . . 0.0 111.503 168.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 tp -71.4 -16.74 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.344 0 CA-C-O 125.263 2.459 . . . . 0.0 116.066 166.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.609 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.429 1.8 t -63.71 -75.84 0.08 Allowed 'General case' 0 CA--C 1.457 -2.632 0 O-C-N 118.946 -2.346 . . . . 0.0 113.375 165.157 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.466 2.1 pt-20 -47.53 -61.0 2.13 Favored 'General case' 0 C--N 1.258 -3.392 0 CA-C-O 116.537 -1.697 . . . . 0.0 114.918 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.346 2.3 tp10 -75.94 -64.51 0.53 Allowed Pre-proline 2 N--CA 1.56 5.074 1 CA-C-O 110.83 -4.414 . . . . 0.0 116.937 -175.593 . . . . . . . . 4 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.33 6.3 Cg_endo -56.17 -67.28 0.08 OUTLIER 'Trans proline' 0 C--N 1.291 -2.48 1 CA-C-N 129.752 4.518 . . . . 0.0 118.941 169.661 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.357 90.5 m -70.6 -45.62 64.96 Favored 'General case' 0 N--CA 1.505 2.277 1 N-CA-C 123.874 4.768 . . . . 0.0 123.874 -171.985 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -28.77 65.79 Favored 'General case' 1 CA--C 1.647 4.71 0 CA-C-N 110.908 -2.86 . . . . 0.0 114.894 173.548 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -63.75 -44.3 93.89 Favored 'General case' 1 C--N 1.436 4.331 0 CA-C-O 114.52 -2.657 . . . . 0.0 107.598 162.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -62.63 -37.03 84.72 Favored 'General case' 0 N--CA 1.502 2.141 0 CA-C-N 125.846 3.93 . . . . 0.0 116.677 165.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.427 3.8 ptp180 -57.9 -32.43 67.73 Favored 'General case' 1 N--CA 1.576 5.867 0 C-N-CA 117.106 -1.838 . . . . 0.0 110.217 169.731 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.491 ' HG1' ' HE3' ' A' ' 31' ' ' MET 0.477 8.6 m -49.37 -33.77 14.42 Favored 'General case' 2 N--CA 1.634 8.734 1 N-CA-C 123.679 4.696 . . . . 0.0 123.679 155.332 . . . . . . . . 5 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -66.42 -20.61 66.11 Favored 'General case' 1 N--CA 1.556 4.856 0 O-C-N 126.413 2.321 . . . . 0.0 114.288 165.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.359 55.8 m170 -72.35 -35.57 68.58 Favored 'General case' 1 CA--C 1.659 5.166 1 CA-C-O 111.178 -4.249 . . . . 0.0 106.619 169.493 . . . . . . . . 4 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.366 5.5 tt -54.23 -37.15 50.17 Favored Pre-proline 0 C--N 1.401 2.815 0 N-CA-C 118.871 2.915 . . . . 0.0 118.871 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.301 92.7 Cg_exo -51.56 -31.69 40.91 Favored 'Trans proline' 1 CA--C 1.617 4.651 0 O-C-N 114.917 -3.254 . . . . 0.0 117.2 159.077 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.496 3.7 pp -82.98 -57.09 3.44 Favored 'General case' 0 CA--C 1.607 3.168 0 CA-C-N 118.153 0.433 . . . . 0.0 110.707 171.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.424 19.1 tt0 68.96 23.05 6.79 Favored 'General case' 0 CA--C 1.562 1.426 0 O-C-N 128.07 3.356 . . . . 0.0 119.307 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.276 16.6 p90 -91.07 -35.63 14.49 Favored 'General case' 1 N--CA 1.574 5.742 0 O-C-N 120.499 -1.376 . . . . 0.0 111.754 173.009 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.2 t -82.13 52.82 2.08 Favored 'General case' 0 C--O 1.299 3.701 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 161.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.339 0.0 OUTLIER -79.28 -35.15 41.77 Favored 'General case' 2 N--CA 1.578 5.96 0 N-CA-C 121.176 3.769 . . . . 0.0 121.176 179.649 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.3 p -74.76 -51.99 12.67 Favored 'General case' 0 C--N 1.294 -1.819 2 CA-C-N 102.26 -6.791 . . . . 0.0 105.045 169.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.38 71.96 0.7 Allowed Glycine 1 C--N 1.561 13.044 1 CA-C-O 109.717 -6.046 . . . . 0.0 112.83 173.756 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.83 74.32 0.66 Allowed 'Trans proline' 2 N--CA 1.615 8.649 1 CA-C-N 133.853 8.827 . . . . 0.0 114.907 -173.433 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 1.63 ' CB ' ' CA ' ' A' ' 26' ' ' LEU 0.354 6.0 mp -146.15 -37.89 0.24 Allowed 'General case' 0 C--N 1.425 3.856 0 CA-C-N 120.934 1.697 . . . . 0.0 113.685 -170.292 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 15.6 p -139.97 146.92 48.83 Favored Pre-proline 1 C--O 1.309 4.213 0 C-N-CA 114.49 -2.884 . . . . 0.0 111.226 169.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.378 10.3 Cg_endo -73.58 100.39 1.25 Allowed 'Trans proline' 3 CA--C 1.726 10.108 0 CA-C-N 122.938 2.085 . . . . 0.0 112.659 -172.867 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.662 ' C ' ' CA ' ' A' ' 30' ' ' CYS . . . 67.64 30.81 6.37 Favored 'General case' 0 N--CA 1.529 3.513 0 C-N-CA 117.237 -1.785 . . . . 0.0 114.645 172.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 1.515 ' N ' ' CA ' ' A' ' 30' ' ' CYS 0.29 18.1 t -101.08 6.76 43.44 Favored 'General case' 1 N--CA 1.696 11.862 0 CA-C-N 123.999 3.09 . . . . 0.0 115.617 -167.154 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.541 ' HE2' HD11 ' A' ' 35' ' ' LEU 0.367 1.5 tmt? -81.43 -41.79 21.33 Favored 'General case' 1 CA--C 1.661 5.216 1 CA-C-O 102.778 -8.248 . . . . 0.0 105.851 176.429 . . . . . . . . 5 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -64.05 -36.92 85.57 Favored 'General case' 1 CA--C 1.654 4.973 1 O-C-N 131.021 5.201 . . . . 0.0 110.498 179.34 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.69 -41.63 74.03 Favored 'General case' 0 C--N 1.398 2.675 0 C-N-CA 129.103 2.961 . . . . 0.0 117.114 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -55.76 -36.43 67.32 Favored 'General case' 1 CA--C 1.673 5.681 1 CA-C-O 110.816 -4.421 . . . . 0.0 104.792 168.364 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.541 HD11 ' HE2' ' A' ' 31' ' ' MET 0.516 3.5 mp -70.7 -33.25 70.68 Favored 'General case' 0 CA--C 1.602 2.945 0 O-C-N 126.753 2.533 . . . . 0.0 111.637 172.064 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.354 40.2 mt-30 -39.17 -58.03 1.98 Allowed Pre-proline 0 CA--C 1.61 3.27 0 C-N-CA 117.894 -1.522 . . . . 0.0 114.019 158.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -72.62 -44.8 0.64 Allowed 'Trans proline' 1 CA--C 1.63 5.317 0 CA-C-N 126.329 3.296 . . . . 0.0 114.68 165.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.426 48.5 tt0 . . . . . 1 CA--C 1.667 5.445 1 CA-C-O 108.456 -5.545 . . . . 0.0 114.652 -178.108 . . . . . . . . 3 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 17.0 p-90 . . . . . 0 CA--C 1.608 3.197 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.3 mp -54.22 -41.1 68.3 Favored 'General case' 1 N--CA 1.544 4.242 0 O-C-N 124.974 1.422 . . . . 0.0 112.056 165.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.6 tp -55.31 -29.49 23.53 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.185 1 CA-C-O 129.498 4.475 . . . . 0.0 112.638 165.229 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 1.555 ' CA ' ' HA ' ' A' ' 4' ' ' CYS . 8.4 t -73.41 -61.54 1.79 Allowed 'General case' 0 C--N 1.41 3.211 1 CA-C-O 111.666 -4.016 . . . . 0.0 116.532 177.454 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.389 4.6 pt-20 -50.58 -52.47 38.85 Favored 'General case' 1 C--N 1.432 4.192 1 O-C-N 129.328 4.142 . . . . 0.0 118.76 175.278 . . . . . . . . 4 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.317 1.0 OUTLIER -80.7 -58.59 0.53 Allowed Pre-proline 0 C--N 1.401 2.837 0 O-C-N 118.113 -2.867 . . . . 0.0 112.454 -169.164 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -64.62 -61.18 0.11 Allowed 'Trans proline' 1 C--N 1.482 7.591 1 O-C-N 112.349 -4.606 . . . . 0.0 117.84 171.482 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.279 87.2 m -78.47 -46.45 19.67 Favored 'General case' 1 N--CA 1.589 6.519 0 C-N-CA 126.776 2.031 . . . . 0.0 115.617 -164.705 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.58 -37.09 84.2 Favored 'General case' 0 C--O 1.279 2.618 1 O-C-N 130.62 4.95 . . . . 0.0 108.069 175.524 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 ttt-85 -57.59 -41.9 82.12 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-O 117.991 -1.005 . . . . 0.0 112.664 164.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -66.02 -35.34 80.3 Favored 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 167.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.644 1.8 ptp180 -53.76 -41.87 67.61 Favored 'General case' 0 CA--C 1.578 2.056 0 CA-C-O 112.52 -3.61 . . . . 0.0 108.049 162.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.406 23.3 m -49.06 -29.05 4.6 Favored 'General case' 2 N--CA 1.617 7.919 0 N-CA-C 120.904 3.668 . . . . 0.0 120.904 160.597 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.31 0.3 OUTLIER -65.83 -34.7 78.76 Favored 'General case' 0 N--CA 1.531 3.601 1 O-C-N 132.114 5.884 . . . . 0.0 110.758 161.681 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.434 ' C ' ' CA ' ' A' ' 16' ' ' LEU 0.307 51.0 m170 -65.77 -35.73 81.54 Favored 'General case' 0 N--CA 1.514 2.738 0 O-C-N 118.14 -2.85 . . . . 0.0 106.279 174.365 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 1.532 ' N ' ' CA ' ' A' ' 16' ' ' LEU 0.266 2.2 tt -52.04 -34.35 15.03 Favored Pre-proline 2 N--CA 1.697 11.879 0 N-CA-C 119.328 3.084 . . . . 0.0 119.328 178.514 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.462 51.4 Cg_exo -50.69 -29.46 25.76 Favored 'Trans proline' 0 C--N 1.397 3.103 1 N-CA-C 123.46 4.369 . . . . 0.0 123.46 153.038 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.454 3.7 pp -88.4 -52.08 5.38 Favored 'General case' 2 N--CA 1.544 4.265 0 O-C-N 127.983 3.302 . . . . 0.0 112.546 164.132 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 65.03 30.54 11.69 Favored 'General case' 1 CA--C 1.649 4.769 1 C-N-CA 133.111 4.564 . . . . 0.0 111.503 176.228 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.364 42.3 p90 -90.2 -40.56 12.12 Favored 'General case' 0 C--O 1.275 2.409 0 O-C-N 118.412 -2.68 . . . . 0.0 110.574 169.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.4 t -77.03 42.28 0.31 Allowed 'General case' 1 CA--C 1.659 5.138 0 O-C-N 127.79 3.181 . . . . 0.0 118.654 165.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.36 0.0 OUTLIER -78.99 -38.2 37.37 Favored 'General case' 0 C--O 1.293 3.383 0 CA-C-O 115.917 -1.992 . . . . 0.0 113.398 -170.021 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -72.42 -35.46 68.36 Favored 'General case' 0 CA--C 1.607 3.157 1 CA-C-O 108.543 -5.503 . . . . 0.0 111.663 165.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 44.82 80.72 0.04 OUTLIER Glycine 0 C--N 1.393 3.732 1 CA-C-O 109.182 -6.343 . . . . 0.0 112.556 172.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.318 4.2 Cg_exo -63.65 72.91 0.16 Allowed 'Trans proline' 0 C--N 1.389 2.68 1 CA-C-N 131.288 7.544 . . . . 0.0 119.011 -177.953 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mp -143.29 -45.49 0.29 Allowed 'General case' 1 N--CA 1.586 6.368 1 CA-C-O 109.568 -5.015 . . . . 0.0 110.996 -168.468 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.324 26.5 p -132.01 149.24 72.74 Favored Pre-proline 0 C--O 1.203 -1.384 0 CA-C-N 123.274 2.761 . . . . 0.0 107.052 176.672 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.428 ' O ' ' HB1' ' A' ' 29' ' ' ALA 0.332 6.7 Cg_endo -76.74 87.78 1.44 Allowed 'Trans proline' 2 CA--C 1.655 6.529 0 O-C-N 113.583 -3.956 . . . . 0.0 109.284 178.363 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 28' ' ' PRO . . . 78.47 21.89 0.76 Allowed 'General case' 0 N--CA 1.531 3.594 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 166.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.546 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.251 10.7 t -87.98 3.83 47.25 Favored 'General case' 1 N--CA 1.581 6.088 2 CA-C-O 128.812 4.149 . . . . 0.0 122.146 -167.7 . . . . . . . . 5 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -80.2 -46.19 16.74 Favored 'General case' 0 CA--C 1.602 2.971 1 CA-C-O 106.127 -6.654 . . . . 0.0 106.883 174.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -53.76 -44.0 69.64 Favored 'General case' 2 CA--C 1.65 4.801 1 CA-C-N 127.887 4.858 . . . . 0.0 112.254 178.522 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.2 54.53 Favored 'General case' 1 N--CA 1.551 4.613 1 CA-C-O 110.286 -4.673 . . . . 0.0 115.004 -175.363 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -51.77 -43.22 62.92 Favored 'General case' 0 N--CA 1.429 -1.515 1 O-C-N 129.825 4.453 . . . . 0.0 113.466 163.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.731 4.6 mp -59.27 -30.21 68.13 Favored 'General case' 1 N--CA 1.633 8.678 0 C-N-CA 127.414 2.286 . . . . 0.0 113.855 164.144 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -55.24 -45.73 99.8 Favored Pre-proline 2 CA--C 1.704 6.892 1 CA-C-O 110.419 -4.61 . . . . 0.0 109.75 167.263 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -74.62 -48.08 0.2 Allowed 'Trans proline' 1 CA--C 1.628 5.189 0 CA-C-N 126.025 3.187 . . . . 0.0 113.425 163.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.465 46.4 tt0 . . . . . 2 C--N 1.486 6.536 1 CA-C-O 110.296 -4.669 . . . . 0.0 107.559 -177.021 . . . . . . . . 3 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 . . . . . 1 N--CA 1.554 4.735 0 N-CA-C 121.17 3.767 . . . . 0.0 121.17 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -51.05 -35.09 32.77 Favored 'General case' 2 CA--C 1.737 8.154 1 O-C-N 114.643 -5.035 . . . . 0.0 112.289 166.709 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.5 tp -53.46 -29.83 17.19 Favored 'Isoleucine or valine' 1 CA--C 1.662 5.255 0 N-CA-C 117.011 2.226 . . . . 0.0 117.011 156.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.9 t -75.37 -69.27 0.49 Allowed 'General case' 0 C--O 1.285 2.968 0 CA-C-N 110.73 -2.941 . . . . 0.0 104.401 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -47.98 -54.03 14.22 Favored 'General case' 2 C--N 1.459 5.334 0 CA-C-O 114.176 -2.821 . . . . 0.0 112.211 -176.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.506 0.9 OUTLIER -75.22 -63.79 0.66 Allowed Pre-proline 2 C--N 1.448 4.89 0 CA-C-N 123.838 3.017 . . . . 0.0 109.819 -170.686 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -68.72 -66.16 0.04 OUTLIER 'Trans proline' 2 N--CA 1.551 4.858 1 O-C-N 113.333 -4.088 . . . . 0.0 113.968 177.972 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.1 m -76.98 -43.47 34.82 Favored 'General case' 0 N--CA 1.536 3.871 1 CA-C-O 110.924 -4.37 . . . . 0.0 119.371 -166.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.312 1.3 m -48.07 -50.95 26.37 Favored 'General case' 0 N--CA 1.525 3.301 1 O-C-N 130.212 4.695 . . . . 0.0 111.487 162.528 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.7 ttt-85 -55.87 -36.28 67.41 Favored 'General case' 2 CA--C 1.644 4.591 0 O-C-N 118.298 -2.751 . . . . 0.0 111.949 167.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.279 42.1 m-80 -70.41 -36.87 74.29 Favored 'General case' 0 N--CA 1.502 2.137 0 CA-C-O 112.835 -3.46 . . . . 0.0 112.406 171.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.501 3.2 ptp180 -58.39 -30.68 67.01 Favored 'General case' 0 C--N 1.384 2.07 0 O-C-N 126.472 2.358 . . . . 0.0 110.425 166.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 1.533 ' CA ' ' C ' ' A' ' 13' ' ' THR . 54.7 m -60.72 -27.29 67.8 Favored 'General case' 2 CA--C 1.753 8.757 1 O-C-N 115.737 -4.352 . . . . 0.0 115.279 166.536 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.482 ' N ' ' CA ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -68.93 -32.39 71.96 Favored 'General case' 1 CA--C 1.636 4.281 0 CA-C-O 114.207 -2.806 . . . . 0.0 112.586 160.213 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.411 ' C ' ' CA ' ' A' ' 16' ' ' LEU . 23.2 m170 -60.2 -25.61 65.73 Favored 'General case' 0 CA--C 1.585 2.302 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 164.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 1.4 ' N ' ' CA ' ' A' ' 16' ' ' LEU . 1.3 tt -56.23 -29.47 5.9 Favored Pre-proline 2 N--CA 1.85 19.534 1 CA-C-O 111.124 -4.274 . . . . 0.0 114.593 176.415 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.301 19.0 Cg_exo -59.91 -32.89 95.87 Favored 'Trans proline' 1 N--CA 1.537 4.051 2 C-N-CA 129.586 6.857 . . . . 0.0 117.179 159.086 . . . . . . . . 4 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -87.12 -46.94 9.31 Favored 'General case' 0 N--CA 1.527 3.391 1 CA-C-O 110.507 -4.568 . . . . 0.0 112.374 162.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.429 7.3 tt0 69.35 7.52 6.28 Favored 'General case' 0 C--N 1.372 1.546 1 O-C-N 129.59 4.306 . . . . 0.0 115.516 173.976 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -78.64 -26.06 45.1 Favored 'General case' 0 C--N 1.406 3.028 0 N-CA-C 119.513 3.153 . . . . 0.0 119.513 170.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.6 t -91.69 47.78 1.39 Allowed 'General case' 0 CA--C 1.627 3.908 1 O-C-N 130.452 4.845 . . . . 0.0 112.186 168.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -16.76 24.83 Favored 'General case' 0 C--O 1.177 -2.727 0 CA-C-N 125.657 3.844 . . . . 0.0 115.912 -169.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.423 ' H ' ' HG1' ' A' ' 23' ' ' THR 0.298 2.7 p -86.11 -36.39 19.62 Favored 'General case' 0 CA--C 1.623 3.768 0 C-N-CA 129.762 3.225 . . . . 0.0 107.892 159.868 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 33.53 76.78 0.04 OUTLIER Glycine 1 CA--C 1.591 4.823 2 CA-C-O 110.454 -5.637 . . . . 0.0 123.798 -175.543 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -58.82 79.54 0.05 OUTLIER 'Trans proline' 0 CA--C 1.584 2.975 1 CA-C-N 125.698 4.749 . . . . 0.0 116.625 -172.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.379 4.6 mp -146.14 -40.82 0.21 Allowed 'General case' 1 CA--C 1.629 4.016 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -169.757 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.392 14.3 p -137.31 151.42 71.45 Favored Pre-proline 0 C--N 1.401 2.81 0 N-CA-C 105.278 -2.119 . . . . 0.0 105.278 178.227 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -78.11 90.31 1.27 Allowed 'Trans proline' 2 CA--C 1.413 -5.561 1 C-N-CA 126.331 4.687 . . . . 0.0 111.251 167.081 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.279 . . 65.63 32.27 9.29 Favored 'General case' 0 CA--C 1.604 3.054 0 O-C-N 117.254 -3.404 . . . . 0.0 114.761 165.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.534 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.431 10.9 t -80.67 -6.35 58.25 Favored 'General case' 1 CA--C 1.673 5.693 0 C-N-CA 127.527 2.331 . . . . 0.0 116.481 -175.066 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.95 -58.44 3.32 Favored 'General case' 0 N--CA 1.506 2.34 0 CA-C-O 116.421 -1.752 . . . . 0.0 110.954 169.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -41.98 -41.86 2.64 Favored 'General case' 0 N--CA 1.53 3.548 2 O-C-N 114.003 -5.435 . . . . 0.0 121.443 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.46 -28.59 65.47 Favored 'General case' 0 N--CA 1.505 2.282 1 C-N-CA 132.682 4.393 . . . . 0.0 120.721 178.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.289 6.0 m -62.12 -41.95 98.75 Favored 'General case' 0 CA--C 1.585 2.324 0 C-N-CA 129.203 3.001 . . . . 0.0 114.019 159.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.661 5.0 mp -58.1 -21.8 47.83 Favored 'General case' 2 CA--C 1.712 7.19 0 O-C-N 127.295 2.872 . . . . 0.0 113.642 165.192 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.448 21.7 mt-30 -59.75 -50.26 87.65 Favored Pre-proline 2 N--CA 1.593 6.706 1 CA-C-O 111.324 -4.179 . . . . 0.0 104.748 169.111 . . . . . . . . 4 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.374 2.7 Cg_exo -67.61 -55.71 0.26 Allowed 'Trans proline' 1 C--N 1.426 4.627 1 C-N-CA 129.082 6.521 . . . . 0.0 111.785 164.996 . . . . . . . . 4 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.398 42.6 tt0 . . . . . 1 C--N 1.471 5.888 1 CA-C-O 111.47 -4.109 . . . . 0.0 113.26 -172.189 . . . . . . . . 3 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.43 ' HE3' ' SG ' ' A' ' 30' ' ' CYS . 8.9 p-90 . . . . . 2 CA--C 1.692 6.421 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.25 5.6 mp -42.74 -37.81 1.88 Allowed 'General case' 0 C--N 1.418 3.576 0 C-N-CA 125.222 1.409 . . . . 0.0 112.108 152.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.329 10.6 tp -74.33 -31.52 28.82 Favored 'Isoleucine or valine' 1 CA--C 1.636 4.287 1 CA-C-O 109.163 -5.208 . . . . 0.0 110.674 177.504 . . . . . . . . 4 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.2 t -72.64 -51.88 17.68 Favored 'General case' 0 CA--C 1.629 4.0 1 O-C-N 132.881 6.363 . . . . 0.0 111.531 176.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.375 4.8 pt-20 -56.15 -59.53 4.8 Favored 'General case' 0 C--N 1.412 3.289 0 CA-C-N 111.214 -2.721 . . . . 0.0 117.829 -177.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.388 0.6 OUTLIER -72.47 -57.14 3.61 Favored Pre-proline 0 C--O 1.175 -2.864 1 CA-C-O 111.144 -4.265 . . . . 0.0 110.939 -178.266 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -72.92 -64.25 0.03 OUTLIER 'Trans proline' 1 N--CA 1.65 10.704 1 CA-C-N 132.09 5.354 . . . . 0.0 120.191 174.389 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.6 m -72.54 -43.48 63.44 Favored 'General case' 0 N--CA 1.519 2.989 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 -170.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.56 -45.48 86.89 Favored 'General case' 0 CA--C 1.482 -1.645 0 CA-C-O 116.912 -1.518 . . . . 0.0 113.605 169.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.9 ttt-85 -52.97 -37.97 61.71 Favored 'General case' 2 CA--C 1.674 5.742 0 N-CA-C 104.338 -2.467 . . . . 0.0 104.338 167.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.518 55.0 m-80 -71.38 -34.28 70.28 Favored 'General case' 1 N--CA 1.55 4.541 0 O-C-N 118.964 -2.335 . . . . 0.0 112.952 170.042 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.533 HH12 HD13 ' A' ' 26' ' ' LEU 0.592 0.5 OUTLIER -57.47 -36.72 71.81 Favored 'General case' 0 N--CA 1.519 3.0 0 CA-C-O 124.502 2.096 . . . . 0.0 111.584 163.874 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.549 33.2 m -52.55 -30.54 31.21 Favored 'General case' 2 CA--C 1.682 6.034 1 O-C-N 115.748 -4.345 . . . . 0.0 110.655 163.31 . . . . . . . . 4 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.282 0.1 OUTLIER -73.25 -30.47 63.47 Favored 'General case' 0 CA--C 1.573 1.864 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.936 165.236 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 1.396 ' CA ' ' C ' ' A' ' 15' ' ' HIS 0.393 7.1 m170 -63.34 -25.82 68.48 Favored 'General case' 1 CA--C 1.899 14.39 0 N-CA-C 104.454 -2.424 . . . . 0.0 104.454 172.737 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.9 -38.87 64.94 Favored Pre-proline 1 N--CA 1.546 4.367 0 CA-C-O 113.063 -3.351 . . . . 0.0 107.473 -168.552 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -53.84 -34.61 76.29 Favored 'Trans proline' 1 N--CA 1.583 6.787 2 N-CA-C 125.998 5.345 . . . . 0.0 125.998 159.566 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.414 2.7 pp -78.52 -60.82 2.22 Favored 'General case' 2 N--CA 1.582 6.143 0 CA-C-O 127.238 3.399 . . . . 0.0 104.708 164.774 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 75.93 14.77 2.57 Favored 'General case' 1 N--CA 1.564 5.269 0 O-C-N 117.46 -3.275 . . . . 0.0 117.206 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.318 25.4 p90 -78.31 -27.52 47.22 Favored 'General case' 0 C--N 1.39 2.348 0 O-C-N 118.07 -2.894 . . . . 0.0 117.087 167.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.0 t -103.41 49.77 0.82 Allowed 'General case' 1 N--CA 1.542 4.171 0 O-C-N 120.937 -1.102 . . . . 0.0 109.732 171.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.368 0.0 OUTLIER -67.09 -16.03 64.08 Favored 'General case' 1 C--O 1.316 4.558 1 N-CA-C 127.171 5.989 . . . . 0.0 127.171 164.591 . . . . . . . . 5 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 p -99.3 -49.32 4.5 Favored 'General case' 0 CA--C 1.618 3.57 0 CA-C-N 110.632 -2.986 . . . . 0.0 115.218 163.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 41.27 86.39 0.01 OUTLIER Glycine 0 CA--C 1.573 3.677 1 O-C-N 132.242 5.964 . . . . 0.0 110.032 174.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.398 60.6 Cg_endo -49.87 68.03 0.02 OUTLIER 'Trans proline' 1 CA--C 1.695 8.571 2 C-N-CA 128.512 6.142 . . . . 0.0 122.845 170.726 . . . . . . . . 4 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.533 HD13 HH12 ' A' ' 12' ' ' ARG . 1.7 mp -134.74 -35.52 0.87 Allowed 'General case' 0 N--CA 1.524 3.239 1 C-N-CA 132.126 4.17 . . . . 0.0 121.183 -178.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.669 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.456 19.4 p -155.08 137.86 10.35 Favored Pre-proline 0 C--O 1.193 -1.905 1 CA-C-O 131.658 5.504 . . . . 0.0 105.629 -165.093 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.48 105.64 1.06 Allowed 'Trans proline' 1 N--CA 1.649 10.653 3 CA-C-O 133.828 5.679 . . . . 0.0 98.124 -178.615 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 38.16 44.29 0.65 Allowed 'General case' 1 N--CA 1.601 7.105 1 O-C-N 109.696 -8.127 . . . . 0.0 117.36 172.894 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.669 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.455 50.3 t -79.25 -7.4 58.24 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 111.838 -3.934 . . . . 0.0 112.037 175.586 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.522 ' C ' ' SD ' ' A' ' 31' ' ' MET . 0.0 OUTLIER -76.43 -36.65 57.87 Favored 'General case' 2 N--CA 1.664 10.236 1 CA-C-N 129.779 5.718 . . . . 0.0 116.451 169.614 . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.457 25.5 pttt -56.87 -48.78 77.34 Favored 'General case' 0 N--CA 1.52 3.062 0 O-C-N 120.338 -1.476 . . . . 0.0 111.127 176.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.269 . . -48.7 -28.12 3.36 Favored 'General case' 0 CA--C 1.589 2.448 0 CA-C-O 128.491 3.996 . . . . 0.0 121.709 172.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.473 ' HG1' ' H ' ' A' ' 34' ' ' THR 0.319 1.0 OUTLIER -70.82 -38.82 73.28 Favored 'General case' 0 N--CA 1.521 3.118 1 O-C-N 115.646 -4.409 . . . . 0.0 115.422 170.124 . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.375 3.1 mp -60.7 -27.08 67.62 Favored 'General case' 0 CA--C 1.428 -3.722 1 CA-C-O 109.608 -4.996 . . . . 0.0 106.376 166.896 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.29 29.2 mt-30 -50.33 -49.18 78.28 Favored Pre-proline 1 N--CA 1.545 4.295 1 CA-C-N 129.84 5.746 . . . . 0.0 108.715 170.716 . . . . . . . . 4 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.264 2.9 Cg_exo -70.0 -47.99 0.75 Allowed 'Trans proline' 0 CA--C 1.579 2.766 0 CA-C-N 125.476 2.992 . . . . 0.0 112.303 166.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.318 18.3 tt0 . . . . . 1 N--CA 1.54 4.044 1 O-C-N 114.846 -4.909 . . . . 0.0 100.719 -166.276 . . . . . . . . 3 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.299 1.5 p-90 . . . . . 1 N--CA 1.54 4.069 1 CA-C-O 111.006 -4.33 . . . . 0.0 114.354 . . . . . . . . . 3 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 1.293 ' CA ' ' C ' ' A' ' 2' ' ' LEU 0.57 8.0 mp -69.03 -23.87 64.12 Favored 'General case' 1 CA--C 2.004 18.405 0 O-C-N 128.948 3.905 . . . . 0.0 107.909 165.314 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.323 8.3 tp -76.54 -30.07 18.94 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.696 1 O-C-N 131.958 5.786 . . . . 0.0 111.689 169.765 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 t -72.19 -56.33 5.73 Favored 'General case' 1 C--N 1.434 4.267 0 O-C-N 127.851 3.219 . . . . 0.0 115.915 162.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.282 9.8 pt-20 -57.55 -70.89 0.11 Allowed 'General case' 0 N--CA 1.53 3.564 1 CA-C-O 110.384 -4.627 . . . . 0.0 110.205 -173.899 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.308 51.6 tp10 -60.41 -63.7 3.96 Favored Pre-proline 0 N--CA 1.537 3.9 1 CA-C-O 111.67 -4.014 . . . . 0.0 112.74 -163.305 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.265 8.1 Cg_endo -72.9 -55.59 0.1 OUTLIER 'Trans proline' 0 N--CA 1.424 -2.599 1 CA-C-O 108.047 -5.064 . . . . 0.0 121.163 172.839 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.253 8.4 m -71.86 -36.84 70.25 Favored 'General case' 0 CA--C 1.601 2.917 0 CA-C-N 124.025 3.102 . . . . 0.0 118.96 -171.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.521 19.1 m -66.79 -27.67 67.76 Favored 'General case' 1 CA--C 1.642 4.495 0 CA-C-N 110.618 -2.992 . . . . 0.0 114.87 170.554 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -64.67 -46.96 80.23 Favored 'General case' 1 N--CA 1.613 7.72 0 O-C-N 118.684 -2.51 . . . . 0.0 107.821 173.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -68.93 -28.23 66.47 Favored 'General case' 0 C--N 1.363 1.174 0 O-C-N 120.902 -1.124 . . . . 0.0 112.899 172.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.378 0.1 OUTLIER -72.76 -28.14 62.44 Favored 'General case' 1 N--CA 1.568 5.451 1 CA-C-O 106.651 -6.404 . . . . 0.0 108.68 164.951 . . . . . . . . 5 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.459 44.1 m -59.52 -31.17 69.13 Favored 'General case' 2 C--N 1.238 -4.256 1 CA-C-N 127.969 4.895 . . . . 0.0 115.529 159.156 . . . . . . . . 4 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 1.525 ' C ' ' CA ' ' A' ' 14' ' ' ARG 0.445 2.7 mpt_? -66.46 -32.42 73.78 Favored 'General case' 2 CA--C 1.771 9.476 1 CA-C-O 110.494 -4.574 . . . . 0.0 102.504 162.025 . . . . . . . . 5 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.519 66.6 m170 -47.89 -33.84 8.09 Favored 'General case' 0 C--N 1.37 1.477 0 CA-C-N 123.167 2.712 . . . . 0.0 117.511 162.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -49.0 96.45 Favored Pre-proline 0 CA--C 1.486 -1.502 0 O-C-N 117.964 -2.96 . . . . 0.0 112.233 -167.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.445 3.6 Cg_exo -46.48 -68.99 0.09 OUTLIER 'Trans proline' 2 C--N 1.442 5.468 1 O-C-N 112.4 -4.579 . . . . 0.0 115.631 165.748 . . . . . . . . 4 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.384 4.5 pp -44.93 -46.18 10.85 Favored 'General case' 2 C--N 1.516 7.821 0 C-N-CA 126.103 1.761 . . . . 0.0 111.684 174.399 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.34 0.1 OUTLIER 55.0 14.98 1.03 Allowed 'General case' 0 C--O 1.285 2.925 1 N-CA-C 133.115 8.191 . . . . 0.0 133.115 174.117 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -92.25 -3.15 55.9 Favored 'General case' 2 CA--C 1.666 5.439 0 O-C-N 120.135 -1.603 . . . . 0.0 110.15 166.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.56 36.37 2.19 Favored 'General case' 0 N--CA 1.536 3.842 1 N-CA-C 122.315 4.191 . . . . 0.0 122.315 166.009 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.251 0.0 OUTLIER -62.3 -23.11 66.55 Favored 'General case' 1 C--O 1.306 4.063 1 CA-C-N 106.76 -4.746 . . . . 0.0 119.681 179.967 . . . . . . . . 5 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.454 17.7 p -91.86 -69.84 0.72 Allowed 'General case' 0 CA--C 1.438 -3.353 0 C-N-CA 129.525 3.13 . . . . 0.0 112.66 162.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.0 85.61 0.08 OUTLIER Glycine 1 C--N 1.427 5.63 0 CA-C-O 115.236 -2.98 . . . . 0.0 109.289 171.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -73.49 81.31 1.82 Allowed 'Trans proline' 1 CA--C 1.638 5.716 1 O-C-N 129.87 4.616 . . . . 0.0 117.196 179.514 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 1.546 ' CB ' ' CG ' ' A' ' 26' ' ' LEU . 5.1 mp -138.23 -78.22 0.36 Allowed 'General case' 1 CA--C 1.713 7.216 2 C-N-CA 133.753 4.821 . . . . 0.0 98.062 -175.304 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.507 ' SG ' ' CB ' ' A' ' 30' ' ' CYS . 22.3 p -125.47 162.34 45.05 Favored Pre-proline 0 N--CA 1.516 2.851 0 O-C-N 128.366 3.541 . . . . 0.0 120.428 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.298 7.1 Cg_endo -76.92 79.12 3.19 Favored 'Trans proline' 1 CA--C 1.648 6.2 0 C-N-CA 123.594 2.863 . . . . 0.0 116.323 -173.057 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.427 . . 48.89 43.28 21.44 Favored 'General case' 2 N--CA 1.602 7.133 0 CA-C-O 126.082 2.849 . . . . 0.0 117.118 177.846 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.507 ' CB ' ' SG ' ' A' ' 27' ' ' CYS 0.338 8.6 t -74.57 -7.34 52.81 Favored 'General case' 0 C--N 1.282 -2.365 1 CA-C-N 106.446 -4.888 . . . . 0.0 113.218 171.59 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -74.36 -49.32 23.23 Favored 'General case' 0 N--CA 1.414 -2.27 1 CA-C-O 110.547 -4.549 . . . . 0.0 104.433 173.381 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -63.07 -5.2 2.83 Favored 'General case' 1 N--CA 1.551 4.6 2 CA-C-N 127.553 4.706 . . . . 0.0 118.255 175.521 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.325 . . -83.14 -39.71 20.71 Favored 'General case' 0 N--CA 1.53 3.565 1 CA-C-O 111.03 -4.319 . . . . 0.0 112.945 166.059 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.7 m -47.3 -39.17 14.07 Favored 'General case' 0 N--CA 1.529 3.506 1 CA-C-O 109.941 -4.838 . . . . 0.0 113.75 168.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.269 5.1 mp -55.91 -38.98 70.95 Favored 'General case' 0 CA--C 1.611 3.292 1 O-C-N 132.834 6.334 . . . . 0.0 121.263 168.031 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 21.7 mt-30 -62.58 -52.84 62.24 Favored Pre-proline 0 CA--C 1.6 2.875 1 CA-C-N 126.953 4.433 . . . . 0.0 109.356 -176.442 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD3' ' HB2' ' A' ' 36' ' ' GLN . 7.7 Cg_endo -57.68 -26.08 71.16 Favored 'Trans proline' 0 C--N 1.409 3.741 1 O-C-N 111.638 -4.98 . . . . 0.0 115.177 164.066 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.299 3.2 pt-20 . . . . . 0 N--CA 1.493 1.706 0 CA-C-N 125.67 3.85 . . . . 0.0 109.19 167.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.284 1.1 p-90 . . . . . 0 CA--C 1.62 3.672 0 N-CA-C 118.346 2.721 . . . . 0.0 118.346 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 1.517 ' CA ' ' C ' ' A' ' 2' ' ' LEU . 5.9 mp -57.59 -30.0 64.93 Favored 'General case' 2 CA--C 1.766 9.285 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 148.428 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.703 ' N ' ' CA ' ' A' ' 2' ' ' LEU . 5.2 tp -78.5 -19.49 13.31 Favored 'Isoleucine or valine' 2 N--CA 1.596 6.857 0 CA-C-N 108.769 -3.832 . . . . 0.0 112.398 165.335 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.315 9.6 t -81.7 -62.48 1.63 Allowed 'General case' 1 CA--C 1.727 7.752 0 O-C-N 127.478 2.986 . . . . 0.0 107.36 169.868 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.502 7.2 pt-20 -44.23 -74.4 0.04 OUTLIER 'General case' 1 C--N 1.45 4.948 0 N-CA-C 119.374 3.101 . . . . 0.0 119.374 -177.534 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.459 51.5 tp10 -57.49 -65.34 1.84 Allowed Pre-proline 1 C--N 1.49 6.716 0 CA-C-O 115.756 -2.069 . . . . 0.0 111.779 -167.59 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -75.8 -58.18 0.05 OUTLIER 'Trans proline' 0 N--CA 1.531 3.732 1 CA-C-O 107.232 -5.403 . . . . 0.0 120.48 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.257 6.3 m -67.06 -40.08 87.01 Favored 'General case' 0 C--N 1.39 2.338 0 CA-C-N 125.176 3.625 . . . . 0.0 112.899 -172.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.498 ' SG ' ' NE ' ' A' ' 12' ' ' ARG 0.495 33.4 m -65.24 -32.37 74.01 Favored 'General case' 1 CA--C 1.666 5.423 0 C-N-CA 130.731 3.612 . . . . 0.0 113.829 175.501 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.301 34.1 ttt-85 -65.46 -59.04 4.41 Favored 'General case' 0 N--CA 1.53 3.536 0 CA-C-O 115.101 -2.38 . . . . 0.0 110.593 170.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -52.3 -37.41 55.68 Favored 'General case' 1 N--CA 1.666 10.369 0 O-C-N 126.506 2.379 . . . . 0.0 109.686 165.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.498 ' NE ' ' SG ' ' A' ' 9' ' ' CYS 0.824 1.2 ttp-105 -54.82 -40.16 69.25 Favored 'General case' 0 C--O 1.178 -2.694 0 N-CA-C 117.978 2.585 . . . . 0.0 117.978 162.524 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.358 45.1 m -63.67 -25.21 68.11 Favored 'General case' 1 N--CA 1.554 4.74 0 O-C-N 117.752 -3.092 . . . . 0.0 111.1 166.684 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -72.54 -25.01 61.21 Favored 'General case' 1 CA--C 1.685 6.141 0 O-C-N 117.118 -3.489 . . . . 0.0 108.58 164.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.3 59.2 m170 -54.26 -25.0 20.94 Favored 'General case' 1 C--N 1.428 4.001 0 O-C-N 119.497 -2.002 . . . . 0.0 114.38 161.908 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.269 0.2 OUTLIER -53.42 -56.67 22.21 Favored Pre-proline 0 N--CA 1.49 1.54 1 CA-C-O 107.788 -5.863 . . . . 0.0 112.182 -175.797 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -54.41 -56.09 2.8 Favored 'Trans proline' 1 CA--C 1.693 8.459 1 CA-C-O 110.177 -4.176 . . . . 0.0 117.763 175.423 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.578 4.5 pp -44.46 -44.69 8.68 Favored 'General case' 0 C--N 1.413 3.368 1 O-C-N 131.879 5.737 . . . . 0.0 119.645 169.643 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 1.463 ' NE2' HE22 ' A' ' 19' ' ' GLN 0.406 0.4 OUTLIER 63.83 3.11 1.5 Allowed 'General case' 1 CA--C 1.662 5.277 1 N-CA-C 125.388 5.329 . . . . 0.0 125.388 163.383 . . . . . . . . 6 4 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.319 11.9 p90 -79.67 -14.88 58.47 Favored 'General case' 1 CA--C 1.657 5.062 0 CA-C-O 117.089 -1.434 . . . . 0.0 114.644 166.929 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 1.566 ' CA ' ' HA ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -104.07 46.25 0.93 Allowed 'General case' 2 N--CA 1.564 5.234 0 CA-C-O 127.059 3.314 . . . . 0.0 116.015 169.154 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.593 0.0 OUTLIER -56.65 -34.84 67.72 Favored 'General case' 1 N--CA 1.543 4.213 0 CA-C-N 110.36 -3.109 . . . . 0.0 116.796 172.587 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 p -109.49 -66.49 1.06 Allowed 'General case' 0 CA--C 1.619 3.6 3 O-C-N 130.698 4.999 . . . . 0.0 98.088 -170.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.79 103.27 0.02 OUTLIER Glycine 3 CA--C 1.609 5.914 1 N-CA-C 101.832 -4.507 . . . . 0.0 101.832 166.978 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -94.55 84.44 0.13 Allowed 'Trans proline' 1 C--N 1.449 5.817 0 C-N-CA 124.025 3.15 . . . . 0.0 109.99 -178.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -137.1 -75.05 0.42 Allowed 'General case' 1 CA--C 1.645 4.613 1 N-CA-C 96.423 -5.399 . . . . 0.0 96.423 172.538 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.545 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 31.9 p -118.36 163.29 25.95 Favored Pre-proline 0 CA--C 1.462 -2.44 2 O-C-N 112.207 -6.558 . . . . 0.0 112.821 -167.795 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -82.89 76.02 4.25 Favored 'Trans proline' 2 N--CA 1.652 10.821 0 O-C-N 115.025 -3.197 . . . . 0.0 117.013 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.47 . . 60.63 39.42 17.78 Favored 'General case' 2 N--CA 1.648 9.452 1 CA-C-O 135.543 7.354 . . . . 0.0 116.442 170.845 . . . . . . . . 4 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.545 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.544 17.1 t -79.32 -3.13 44.66 Favored 'General case' 1 CA--C 1.646 4.646 1 CA-C-N 105.223 -5.444 . . . . 0.0 109.386 176.551 . . . . . . . . 5 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -53.78 18.07 Favored 'General case' 0 C--O 1.185 -2.312 0 N-CA-C 103.057 -2.942 . . . . 0.0 103.057 171.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -55.71 -25.44 40.15 Favored 'General case' 0 CA--C 1.623 3.755 1 CA-C-N 128.113 4.96 . . . . 0.0 113.35 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.406 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.364 . . -63.26 -45.6 90.75 Favored 'General case' 1 C--N 1.503 7.253 0 CA-C-O 112.026 -3.845 . . . . 0.0 116.134 169.718 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 m -49.23 -39.01 28.39 Favored 'General case' 1 N--CA 1.545 4.284 1 O-C-N 129.479 4.237 . . . . 0.0 117.111 172.292 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -56.37 -43.7 79.45 Favored 'General case' 0 CA--C 1.61 3.263 0 O-C-N 128.952 3.908 . . . . 0.0 111.727 169.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -66.7 -52.94 31.06 Favored Pre-proline 2 N--CA 1.558 4.974 2 CA-C-N 131.923 6.692 . . . . 0.0 105.765 -170.442 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.288 1.7 Cg_endo -52.28 -23.76 19.07 Favored 'Trans proline' 1 CA--C 1.64 5.811 1 C-N-CA 125.62 4.213 . . . . 0.0 110.541 167.489 . . . . . . . . 5 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.661 2.2 pt-20 . . . . . 0 N--CA 1.535 3.786 0 CA-C-O 114.447 -2.692 . . . . 0.0 106.918 172.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.468 1.5 p-90 . . . . . 0 CA--C 1.627 3.913 1 N-CA-C 122.18 4.141 . . . . 0.0 122.18 . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.467 6.1 mp -81.13 -31.03 34.37 Favored 'General case' 1 N--CA 1.598 6.973 1 CA-C-O 110.6 -4.524 . . . . 0.0 100.489 175.188 . . . . . . . . 4 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.7 tp -72.44 -24.15 21.74 Favored 'Isoleucine or valine' 1 CA--C 1.705 6.924 0 CA-C-O 126.977 3.275 . . . . 0.0 109.245 166.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.38 2.6 t -63.41 -59.69 4.35 Favored 'General case' 0 C--O 1.181 -2.542 1 O-C-N 114.494 -5.129 . . . . 0.0 120.214 164.228 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.327 2.9 pt-20 -61.87 -61.42 2.51 Favored 'General case' 1 N--CA 1.628 8.464 0 O-C-N 128.812 3.82 . . . . 0.0 120.189 -175.587 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -68.66 -58.49 6.82 Favored Pre-proline 0 CA--C 1.598 2.799 0 O-C-N 116.734 -3.729 . . . . 0.0 107.805 -173.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.387 52.6 Cg_endo -70.79 -61.32 0.05 OUTLIER 'Trans proline' 0 CA--C 1.592 3.402 2 O-C-N 111.991 -4.794 . . . . 0.0 122.005 -178.529 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 m -68.96 -42.0 77.22 Favored 'General case' 0 N--CA 1.531 3.598 0 CA-C-O 114.194 -2.812 . . . . 0.0 114.211 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.581 99.9 m -62.05 -40.23 95.06 Favored 'General case' 0 N--CA 1.526 3.354 1 O-C-N 131.621 5.575 . . . . 0.0 114.506 169.191 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -63.22 -60.57 3.23 Favored 'General case' 2 N--CA 1.573 5.695 1 CA-C-O 111.656 -4.021 . . . . 0.0 110.855 166.379 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -49.9 -33.87 18.63 Favored 'General case' 0 N--CA 1.519 2.997 1 CA-C-N 126.467 4.212 . . . . 0.0 113.557 167.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 1.481 ' CA ' ' C ' ' A' ' 12' ' ' ARG 0.312 0.2 OUTLIER -65.35 -33.24 75.5 Favored 'General case' 2 CA--C 1.799 10.548 0 O-C-N 118.139 -2.85 . . . . 0.0 106.542 169.164 . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.315 40.1 m -64.68 -27.82 69.19 Favored 'General case' 0 C--N 1.376 1.739 0 C-N-CA 112.539 -3.665 . . . . 0.0 113.553 169.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.409 2.6 mpt_? -59.71 -25.93 65.2 Favored 'General case' 1 CA--C 1.633 4.161 0 CA-C-O 126.253 2.93 . . . . 0.0 115.119 161.489 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -62.4 -24.14 67.23 Favored 'General case' 0 N--CA 1.505 2.324 1 O-C-N 115.056 -4.778 . . . . 0.0 114.44 165.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.36 0.3 OUTLIER -50.84 -47.71 85.46 Favored Pre-proline 0 CA--C 1.567 1.596 0 C-N-CA 125.123 1.369 . . . . 0.0 111.271 -176.454 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.506 10.8 Cg_endo -56.85 -50.45 11.53 Favored 'Trans proline' 2 N--CA 1.603 7.932 2 O-C-N 111.342 -5.136 . . . . 0.0 109.89 167.283 . . . . . . . . 4 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.315 4.6 pp -63.07 -44.59 95.39 Favored 'General case' 1 N--CA 1.564 5.227 1 O-C-N 109.989 -7.944 . . . . 0.0 112.484 -171.673 . . . . . . . . 4 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 1.416 ' NE2' HE22 ' A' ' 19' ' ' GLN . 0.0 OUTLIER 65.31 7.64 4.37 Favored 'General case' 0 C--N 1.423 3.77 2 O-C-N 130.695 4.997 . . . . 0.0 121.878 170.881 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -88.03 4.17 46.13 Favored 'General case' 0 N--CA 1.523 3.186 1 CA-C-O 111.414 -4.136 . . . . 0.0 115.923 170.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.48 43.33 1.25 Allowed 'General case' 0 CA--C 1.602 2.955 0 CA-C-N 121.346 1.885 . . . . 0.0 111.009 164.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -34.1 68.07 Favored 'General case' 0 CA--C 1.62 3.657 0 N-CA-C 119.525 3.157 . . . . 0.0 119.525 170.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -97.28 -79.09 0.46 Allowed 'General case' 0 N--CA 1.537 3.875 1 N-CA-C 99.293 -4.336 . . . . 0.0 99.293 178.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.13 95.71 0.65 Allowed Glycine 1 N--CA 1.562 7.088 0 CA-C-O 113.832 -3.76 . . . . 0.0 119.348 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -102.4 69.7 0.03 OUTLIER 'Trans proline' 0 N--CA 1.505 2.168 1 CA-C-N 128.318 6.059 . . . . 0.0 116.636 -161.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -120.83 -72.4 0.69 Allowed 'General case' 1 CA--C 1.673 5.679 1 CA-C-N 105.363 -5.38 . . . . 0.0 105.585 174.912 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 29.9 p -126.42 140.16 36.52 Favored Pre-proline 2 CA--C 1.698 6.64 1 CA-C-O 108.013 -5.756 . . . . 0.0 117.449 -176.816 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.277 24.2 Cg_endo -54.24 80.53 0.03 OUTLIER 'Trans proline' 0 CA--C 1.581 2.834 1 N-CA-C 125.738 5.245 . . . . 0.0 125.738 -177.263 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 1.464 ' CA ' ' C ' ' A' ' 29' ' ' ALA 0.283 . . 46.35 56.53 6.22 Favored 'General case' 1 CA--C 1.837 12.0 0 O-C-N 126.375 2.297 . . . . 0.0 105.681 171.3 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.664 ' N ' ' CA ' ' A' ' 29' ' ' ALA 0.482 49.6 t -78.85 -11.17 59.98 Favored 'General case' 0 N--CA 1.52 3.059 2 CA-C-N 106.763 -4.744 . . . . 0.0 112.746 166.468 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.413 1.7 tmm? -59.33 -49.36 78.11 Favored 'General case' 0 CA--C 1.611 3.3 0 N-CA-C 118.458 2.762 . . . . 0.0 118.458 167.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -65.76 -22.8 66.62 Favored 'General case' 1 N--CA 1.559 5.002 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 169.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.298 . . -67.05 -37.47 84.12 Favored 'General case' 1 N--CA 1.549 4.52 0 O-C-N 119.176 -2.203 . . . . 0.0 115.912 165.839 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 m -61.47 -35.08 76.62 Favored 'General case' 2 N--CA 1.58 6.042 0 CA-C-N 120.935 1.698 . . . . 0.0 111.941 176.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.581 ' C ' ' CA ' ' A' ' 36' ' ' GLN . 2.6 mp -61.02 -43.88 98.24 Favored 'General case' 0 C--O 1.264 1.851 0 CA-C-N 111.532 -2.576 . . . . 0.0 113.391 171.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 1.503 ' N ' ' CA ' ' A' ' 36' ' ' GLN 0.668 0.0 OUTLIER -54.15 -54.21 50.16 Favored Pre-proline 1 N--CA 1.71 12.567 0 CA-C-N 125.55 3.796 . . . . 0.0 117.225 173.968 . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.328 9.4 Cg_endo -59.61 -30.03 91.31 Favored 'Trans proline' 1 C--N 1.465 6.672 0 C-N-CA 124.121 3.214 . . . . 0.0 116.038 161.951 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.308 3.8 pt-20 . . . . . 2 CA--C 1.708 7.021 0 C-N-CA 112.748 -3.581 . . . . 0.0 114.581 160.227 . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 . . . . . 0 CA--C 1.593 2.634 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -69.4 -41.22 76.73 Favored 'General case' 2 C--N 1.454 5.143 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 168.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.61 -17.31 22.35 Favored 'Isoleucine or valine' 0 C--N 1.394 2.5 0 CA-C-N 110.575 -3.011 . . . . 0.0 106.351 161.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.01 -66.53 0.55 Allowed 'General case' 0 CA--C 1.614 3.405 1 CA-C-N 126.197 4.09 . . . . 0.0 118.911 165.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.58 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.397 13.1 pt-20 -56.6 -56.33 22.69 Favored 'General case' 1 N--CA 1.373 -4.309 1 CA-C-N 107.627 -4.351 . . . . 0.0 115.355 -166.774 . . . . . . . . 5 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.334 5.9 tp10 -73.46 -65.18 0.68 Allowed Pre-proline 1 N--CA 1.561 5.121 1 CA-C-O 111.155 -4.259 . . . . 0.0 109.591 -175.004 . . . . . . . . 4 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -60.02 -63.93 0.11 Allowed 'Trans proline' 0 CA--C 1.576 2.592 0 N-CA-C 122.324 3.932 . . . . 0.0 122.324 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 m -64.47 -51.3 63.72 Favored 'General case' 0 C--O 1.296 3.535 0 C-N-CA 130.26 3.424 . . . . 0.0 114.889 -176.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.1 m -67.82 -35.47 78.66 Favored 'General case' 0 N--CA 1.51 2.539 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 170.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -58.65 -38.72 78.75 Favored 'General case' 1 N--CA 1.619 7.994 0 CA-C-O 111.886 -3.912 . . . . 0.0 111.271 168.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.391 3.1 m-80 -63.98 -37.29 86.89 Favored 'General case' 0 C--O 1.273 2.339 0 CA-C-N 121.778 2.081 . . . . 0.0 115.095 173.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.396 0.2 OUTLIER -55.53 -36.74 67.09 Favored 'General case' 0 C--O 1.182 -2.473 0 O-C-N 127.336 2.897 . . . . 0.0 115.121 165.239 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.4 1.5 m -54.92 -34.57 63.28 Favored 'General case' 1 CA--C 1.645 4.6 0 CA-C-N 121.749 2.068 . . . . 0.0 112.892 166.628 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.491 0.7 OUTLIER -62.24 -31.82 72.43 Favored 'General case' 1 CA--C 1.658 5.112 0 C-N-CA 128.987 2.915 . . . . 0.0 107.246 173.476 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.307 18.1 m170 -66.4 -22.3 66.24 Favored 'General case' 1 N--CA 1.569 5.517 0 CA-C-O 112.597 -3.573 . . . . 0.0 113.368 165.519 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -38.82 72.71 Favored Pre-proline 2 N--CA 1.622 8.17 1 CA-C-O 110.126 -4.75 . . . . 0.0 110.996 -179.812 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -70.45 -26.75 24.0 Favored 'Trans proline' 0 CA--C 1.568 2.207 1 CA-C-O 103.153 -7.103 . . . . 0.0 115.376 161.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.547 HD13 ' H ' ' A' ' 20' ' ' PHE 0.264 3.9 pp -70.71 -40.05 73.06 Favored 'General case' 1 N--CA 1.636 8.849 2 CA-C-N 129.156 5.434 . . . . 0.0 113.703 172.24 . . . . . . . . 5 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.495 0.0 OUTLIER 69.86 15.05 7.95 Favored 'General case' 1 N--CA 1.565 5.277 1 CA-C-N 107.915 -4.22 . . . . 0.0 111.367 164.122 . . . . . . . . 5 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.547 ' H ' HD13 ' A' ' 18' ' ' LEU . 2.9 p90 -100.27 -2.08 34.69 Favored 'General case' 0 C--N 1.422 3.741 2 CA-C-N 127.076 4.489 . . . . 0.0 122.177 173.539 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.283 40.4 t -116.82 55.63 0.82 Allowed 'General case' 0 CA--C 1.606 3.117 0 CA-C-O 115.215 -2.326 . . . . 0.0 108.187 169.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -54.07 12.32 Favored 'General case' 0 N--CA 1.527 3.408 1 CA-C-O 132.806 6.05 . . . . 0.0 110.933 167.566 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.3 p -82.98 -74.84 0.34 Allowed 'General case' 0 C--N 1.424 3.846 1 O-C-N 114.798 -4.939 . . . . 0.0 102.515 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.86 109.98 0.01 OUTLIER Glycine 1 N--CA 1.56 6.966 1 CA-C-O 110.375 -5.681 . . . . 0.0 117.786 -166.008 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.36 0.5 OUTLIER -90.83 62.04 1.39 Allowed 'Trans proline' 0 CA--C 1.58 2.807 1 CA-C-N 125.408 4.604 . . . . 0.0 118.038 -172.375 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mp -126.69 -71.7 0.67 Allowed 'General case' 0 C--O 1.282 2.793 0 N-CA-C 103.374 -2.825 . . . . 0.0 103.374 -173.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 1.536 ' CA ' ' C ' ' A' ' 27' ' ' CYS . 13.3 p -115.87 145.26 34.35 Favored Pre-proline 1 CA--C 1.756 8.881 0 O-C-N 118.004 -2.935 . . . . 0.0 115.224 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -85.62 72.03 4.38 Favored 'Trans proline' 1 N--CA 1.594 7.427 0 C-N-CA 123.029 2.486 . . . . 0.0 116.643 -161.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.414 . . 69.6 56.91 0.34 Allowed 'General case' 0 CA--C 1.575 1.907 0 O-C-N 116.426 -3.922 . . . . 0.0 111.871 -175.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' A' ' 5' ' ' GLU 0.411 42.3 t -91.09 -6.58 53.54 Favored 'General case' 1 N--CA 1.571 5.582 0 O-C-N 116.72 -3.738 . . . . 0.0 114.236 175.709 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.6 tmm? -63.76 -43.83 95.24 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 129.365 3.066 . . . . 0.0 112.06 175.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -53.11 -42.45 65.99 Favored 'General case' 0 C--N 1.403 2.925 0 O-C-N 126.511 2.382 . . . . 0.0 113.454 168.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.497 ' O ' ' HD2' ' A' ' 37' ' ' PRO . . . -55.65 -35.74 66.29 Favored 'General case' 0 N--CA 1.498 1.933 2 O-C-N 110.044 -7.91 . . . . 0.0 120.416 169.346 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.255 22.5 m -63.35 -39.4 94.43 Favored 'General case' 0 N--CA 1.53 3.531 0 C-N-CA 124.074 0.95 . . . . 0.0 112.31 168.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mp -59.79 -43.99 94.16 Favored 'General case' 0 C--N 1.383 2.03 1 CA-C-O 110.488 -4.577 . . . . 0.0 111.028 178.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -69.45 -42.06 19.12 Favored Pre-proline 1 CA--C 1.643 4.548 1 CA-C-N 131.366 6.439 . . . . 0.0 115.576 174.282 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.497 ' HD2' ' O ' ' A' ' 33' ' ' ALA . 2.5 Cg_endo -70.72 -10.86 28.65 Favored 'Trans proline' 2 CA--C 1.705 9.05 0 CA-C-N 127.149 3.589 . . . . 0.0 118.588 169.19 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.453 11.9 pt-20 . . . . . 1 C--O 1.309 4.207 2 O-C-N 137.888 9.492 . . . . 0.0 113.696 162.113 . . . . . . . . 3 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.396 14.1 p-90 . . . . . 1 CA--C 1.683 6.083 0 CA-C-O 112.84 -3.457 . . . . 0.0 111.438 . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.464 ' HA ' ' HG2' ' A' ' 5' ' ' GLU . 5.4 mp -63.1 -50.39 70.71 Favored 'General case' 0 C--N 1.263 -3.174 0 CA-C-N 123.12 2.691 . . . . 0.0 111.903 169.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 tp -62.99 -14.69 14.36 Favored 'Isoleucine or valine' 1 CA--C 1.656 5.039 0 CA-C-N 110.953 -2.839 . . . . 0.0 107.077 171.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.0 t -82.25 -62.39 1.64 Allowed 'General case' 2 C--O 1.317 4.617 1 O-C-N 115.004 -4.81 . . . . 0.0 113.418 172.033 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.533 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.334 10.0 pt-20 -57.79 -51.97 67.37 Favored 'General case' 0 N--CA 1.537 3.89 0 O-C-N 126.068 2.105 . . . . 0.0 107.958 -163.477 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.524 4.9 tp10 -74.62 -55.57 2.58 Favored Pre-proline 0 N--CA 1.534 3.763 2 O-C-N 113.382 -5.824 . . . . 0.0 117.235 -173.56 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -69.61 -65.07 0.04 OUTLIER 'Trans proline' 1 N--CA 1.596 7.55 0 N-CA-C 118.916 2.622 . . . . 0.0 118.916 176.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.295 0.3 OUTLIER -53.9 -55.0 30.91 Favored 'General case' 0 C--N 1.403 2.93 0 N-CA-C 119.271 3.063 . . . . 0.0 119.271 179.026 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.2 m -71.39 -34.78 70.7 Favored 'General case' 0 C--O 1.301 3.782 1 O-C-N 130.028 4.58 . . . . 0.0 110.375 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.3 ttt-85 -58.21 -34.47 70.43 Favored 'General case' 0 C--N 1.396 2.602 2 O-C-N 112.557 -6.339 . . . . 0.0 111.548 171.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -71.01 -36.25 72.35 Favored 'General case' 1 N--CA 1.552 4.675 0 CA-C-O 116.309 -1.805 . . . . 0.0 107.296 174.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.461 0.2 OUTLIER -56.29 -34.54 66.56 Favored 'General case' 0 C--O 1.274 2.376 0 CA-C-O 113.252 -3.261 . . . . 0.0 114.908 167.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -61.92 -24.12 66.77 Favored 'General case' 0 N--CA 1.524 3.271 1 CA-C-N 126.684 4.311 . . . . 0.0 117.204 163.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 14' ' ' ARG . 1.6 mtt180 -69.44 -29.74 67.52 Favored 'General case' 0 C--O 1.288 3.102 0 O-C-N 119.432 -2.042 . . . . 0.0 109.147 165.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.341 19.3 m170 -55.76 -30.93 62.06 Favored 'General case' 0 C--N 1.413 3.363 0 CA-C-N 122.539 2.427 . . . . 0.0 116.831 160.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.332 2.3 tt -47.58 -31.1 1.85 Allowed Pre-proline 1 C--N 1.433 4.239 0 C-N-CA 127.477 2.311 . . . . 0.0 113.092 -177.208 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -73.19 -38.67 2.58 Favored 'Trans proline' 0 CA--C 1.498 -1.315 1 C-N-CA 129.432 6.755 . . . . 0.0 115.531 161.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.402 HD13 ' H ' ' A' ' 20' ' ' PHE . 3.1 pp -69.26 -38.09 78.26 Favored 'General case' 2 CA--C 1.695 6.536 1 CA-C-N 126.245 4.112 . . . . 0.0 105.569 176.472 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.281 0.0 OUTLIER 61.21 24.06 14.2 Favored 'General case' 0 CA--C 1.623 3.78 0 C-N-CA 128.999 2.92 . . . . 0.0 113.644 168.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.402 ' H ' HD13 ' A' ' 18' ' ' LEU 0.445 1.4 p90 -95.84 -16.34 21.91 Favored 'General case' 1 N--CA 1.578 5.972 0 N-CA-C 121.057 3.725 . . . . 0.0 121.057 171.429 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.309 28.6 t -109.92 48.07 0.91 Allowed 'General case' 0 N--CA 1.518 2.969 0 N-CA-C 120.018 3.34 . . . . 0.0 120.018 169.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.276 0.0 OUTLIER -50.37 -51.0 49.81 Favored 'General case' 1 C--N 1.463 5.527 0 CA-C-N 110.71 -2.95 . . . . 0.0 110.853 177.574 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -81.32 -70.08 0.56 Allowed 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 108.677 -3.874 . . . . 0.0 103.633 173.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.03 120.16 0.02 OUTLIER Glycine 1 CA--C 1.614 6.262 2 CA-C-O 111.499 -5.056 . . . . 0.0 114.305 -165.345 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -101.84 55.81 0.03 OUTLIER 'Trans proline' 0 N--CA 1.528 3.526 1 CA-C-N 132.276 8.038 . . . . 0.0 112.084 -176.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mp -115.53 -60.9 1.82 Allowed 'General case' 0 CA--C 1.595 2.675 0 CA-C-O 123.572 1.653 . . . . 0.0 111.797 174.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.0 p -119.56 117.64 32.69 Favored Pre-proline 1 N--CA 1.593 6.689 0 CA-C-N 111.11 -2.768 . . . . 0.0 114.804 -177.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -58.58 75.12 0.04 OUTLIER 'Trans proline' 2 C--N 1.49 8.011 2 C-N-CA 129.462 6.775 . . . . 0.0 125.715 -172.936 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 1.544 ' CA ' ' C ' ' A' ' 29' ' ' ALA 0.409 . . 62.06 57.14 2.13 Favored 'General case' 2 CA--C 1.741 8.318 0 CA-C-O 124.212 1.958 . . . . 0.0 111.655 -175.539 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 5' ' ' GLU 0.374 19.4 t -94.73 -2.16 51.63 Favored 'General case' 1 N--CA 1.54 4.054 0 O-C-N 118.992 -2.317 . . . . 0.0 111.885 176.85 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.264 4.9 tmm? -68.64 -37.56 79.78 Favored 'General case' 0 C--N 1.421 3.716 0 O-C-N 118.384 -2.698 . . . . 0.0 113.265 176.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -63.08 -30.98 72.02 Favored 'General case' 1 CA--C 1.7 6.741 0 O-C-N 128.081 3.363 . . . . 0.0 108.643 176.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.65 -30.09 67.7 Favored 'General case' 1 N--CA 1.607 7.388 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 174.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.257 6.6 m -68.92 -36.12 77.63 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 169.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mp -65.75 -31.31 72.22 Favored 'General case' 0 N--CA 1.502 2.149 1 CA-C-O 109.847 -4.882 . . . . 0.0 114.512 177.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -70.82 -46.57 16.29 Favored Pre-proline 2 CA--C 1.67 5.567 0 CA-C-N 125.716 3.871 . . . . 0.0 119.827 163.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -67.72 -9.01 24.09 Favored 'Trans proline' 0 CA--C 1.469 -2.729 1 N-CA-C 125.231 5.05 . . . . 0.0 125.231 167.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.387 9.4 pt-20 . . . . . 0 CA--C 1.601 2.907 0 O-C-N 120.111 -1.618 . . . . 0.0 114.022 156.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.496 ' HA ' ' HB2' ' A' ' 4' ' ' CYS . 8.2 p-90 . . . . . 1 N--CA 1.558 4.951 1 N-CA-C 121.854 4.02 . . . . 0.0 121.854 . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.28 4.7 mp -75.48 -52.66 10.15 Favored 'General case' 0 N--CA 1.507 2.39 1 O-C-N 113.001 -6.062 . . . . 0.0 108.487 164.219 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.389 10.0 tp -53.41 -18.57 1.84 Allowed 'Isoleucine or valine' 2 N--CA 1.548 4.446 0 C-N-CA 115.016 -2.674 . . . . 0.0 116.121 167.195 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 1' ' ' TRP . 1.1 t -73.52 -71.0 0.34 Allowed 'General case' 0 C--N 1.25 -3.731 0 CA-C-O 126.201 2.905 . . . . 0.0 116.961 167.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.561 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.424 9.1 pt-20 -48.65 -60.25 2.87 Favored 'General case' 1 N--CA 1.548 4.451 0 CA-C-N 109.969 -3.287 . . . . 0.0 112.714 -168.686 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.604 4.6 tp10 -65.05 -59.66 9.6 Favored Pre-proline 1 N--CA 1.561 5.11 2 O-C-N 114.712 -4.992 . . . . 0.0 113.816 -172.412 . . . . . . . . 4 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -77.19 -64.01 0.03 OUTLIER 'Trans proline' 0 CA--C 1.591 3.355 1 C-N-CA 126.292 4.661 . . . . 0.0 111.463 -174.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.261 0.2 OUTLIER -56.74 -48.98 76.58 Favored 'General case' 0 N--CA 1.511 2.599 1 N-CA-C 122.239 4.162 . . . . 0.0 122.239 -176.96 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.462 19.7 m -67.87 -40.09 83.66 Favored 'General case' 0 C--O 1.193 -1.909 1 C-N-CA 133.239 4.616 . . . . 0.0 115.102 172.832 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.4 ttt-85 -60.16 -45.6 92.54 Favored 'General case' 0 C--N 1.424 3.815 0 C-N-CA 117.365 -1.734 . . . . 0.0 110.215 168.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 1.509 ' HB3' ' CB ' ' A' ' 11' ' ' ASN . 18.5 m-80 -61.09 -38.32 85.87 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 121.777 2.08 . . . . 0.0 109.418 171.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.472 0.2 OUTLIER -54.1 -38.02 64.92 Favored 'General case' 2 N--CA 1.568 5.469 0 CA-C-O 115.083 -2.389 . . . . 0.0 114.522 168.956 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.328 1.3 m -56.92 -42.94 80.87 Favored 'General case' 0 N--CA 1.529 3.495 0 O-C-N 124.89 1.369 . . . . 0.0 113.668 170.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.465 2.9 mtt180 -45.83 -40.51 9.89 Favored 'General case' 1 N--CA 1.556 4.841 0 C-N-CA 112.43 -3.708 . . . . 0.0 117.037 160.179 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -61.45 -24.34 66.49 Favored 'General case' 0 CA--C 1.624 3.821 1 O-C-N 130.739 5.024 . . . . 0.0 114.847 173.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.4 2.9 tt -47.21 -38.09 12.93 Favored Pre-proline 1 C--N 1.45 4.955 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -176.878 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.26 -39.69 22.05 Favored 'Trans proline' 1 CA--C 1.608 4.176 0 N-CA-C 119.412 2.812 . . . . 0.0 119.412 165.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.328 2.9 pp -63.24 -36.29 83.18 Favored 'General case' 1 CA--C 1.696 6.573 0 O-C-N 116.864 -3.648 . . . . 0.0 109.653 168.029 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 46.47 37.88 4.81 Favored 'General case' 0 C--O 1.266 1.963 0 N-CA-C 120.266 3.432 . . . . 0.0 120.266 177.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.466 4.0 p90 -104.52 -22.51 13.27 Favored 'General case' 1 N--CA 1.643 9.19 0 CA-C-O 114.439 -2.696 . . . . 0.0 113.318 173.67 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.508 13.5 t -100.14 43.7 1.05 Allowed 'General case' 0 C--O 1.302 3.82 0 O-C-N 128.64 3.713 . . . . 0.0 120.19 169.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.328 0.0 OUTLIER -51.71 -61.15 2.43 Favored 'General case' 1 CA--C 1.651 4.852 0 CA-C-N 109.599 -3.455 . . . . 0.0 109.945 -179.475 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.339 46.0 p -64.18 -61.97 1.92 Allowed 'General case' 0 C--N 1.377 1.769 2 O-C-N 134.471 7.357 . . . . 0.0 114.617 162.586 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.92 128.09 0.02 OUTLIER Glycine 1 CA--C 1.658 9.025 0 CA-C-O 114.948 -3.14 . . . . 0.0 107.971 -173.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -112.81 57.16 0.0 OUTLIER 'Trans proline' 2 N--CA 1.63 9.552 2 CA-C-N 130.155 6.978 . . . . 0.0 108.781 176.62 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.72 -61.94 1.67 Allowed 'General case' 2 CA--C 1.663 5.313 0 O-C-N 126.154 2.159 . . . . 0.0 110.037 167.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . 0.318 1.6 p -115.49 110.61 44.74 Favored Pre-proline 0 N--CA 1.529 3.514 0 O-C-N 128.642 3.714 . . . . 0.0 115.631 -175.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER -56.65 82.86 0.04 OUTLIER 'Trans proline' 2 N--CA 1.548 4.699 1 N-CA-C 131.19 7.342 . . . . 0.0 131.19 -176.106 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 1.512 ' CA ' ' C ' ' A' ' 29' ' ' ALA . . . 48.78 65.96 1.22 Allowed 'General case' 1 CA--C 1.77 9.439 0 O-C-N 128.909 3.881 . . . . 0.0 112.004 -168.705 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.572 ' N ' ' CA ' ' A' ' 29' ' ' ALA . 5.2 t -86.27 -11.68 51.62 Favored 'General case' 0 N--CA 1.527 3.395 0 C-N-CA 130.265 3.426 . . . . 0.0 109.731 172.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.309 5.0 tmm? -79.64 -28.37 40.86 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 126.131 2.144 . . . . 0.0 113.244 -175.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.326 8.0 pttt -62.65 -29.05 70.34 Favored 'General case' 1 CA--C 1.665 5.368 0 C-N-CA 125.52 1.528 . . . . 0.0 114.308 166.714 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.24 -34.17 65.72 Favored 'General case' 1 CA--C 1.691 6.396 1 O-C-N 130.346 4.779 . . . . 0.0 114.262 175.259 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.366 1.3 m -59.24 -46.04 89.55 Favored 'General case' 0 CA--C 1.627 3.937 0 CA-C-O 125.68 2.657 . . . . 0.0 113.302 169.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.682 ' C ' ' CA ' ' A' ' 36' ' ' GLN . 6.5 mp -55.39 -37.72 67.96 Favored 'General case' 0 C--O 1.292 3.329 0 N-CA-C 119.183 3.031 . . . . 0.0 119.183 174.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 1.532 ' N ' ' CA ' ' A' ' 36' ' ' GLN . 58.0 mt-30 -64.62 -68.23 0.84 Allowed Pre-proline 2 N--CA 1.676 10.863 0 C-N-CA 116.783 -1.967 . . . . 0.0 114.103 165.004 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -50.48 -18.5 3.8 Favored 'Trans proline' 0 C--N 1.388 2.611 2 C-N-CA 128.686 6.257 . . . . 0.0 116.582 176.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.353 13.0 pt-20 . . . . . 0 C--O 1.303 3.912 1 CA-C-O 130.141 4.781 . . . . 0.0 110.054 161.284 . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 . . . . . 1 CA--C 1.629 4.018 0 N-CA-C 120.673 3.583 . . . . 0.0 120.673 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.463 ' HA ' ' HG2' ' A' ' 5' ' ' GLU . 4.5 mp -89.85 -45.1 9.49 Favored 'General case' 0 N--CA 1.52 3.048 0 O-C-N 116.427 -3.921 . . . . 0.0 101.121 173.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.441 9.8 tp -52.63 -21.5 2.91 Favored 'Isoleucine or valine' 1 C--N 1.434 4.267 1 O-C-N 116.203 -4.061 . . . . 0.0 120.985 162.177 . . . . . . . . 4 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -77.88 -59.56 2.73 Favored 'General case' 0 C--N 1.396 2.599 0 N-CA-C 120.457 3.503 . . . . 0.0 120.457 163.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' A' ' 2' ' ' LEU 0.358 11.5 pt-20 -50.8 -63.99 0.95 Allowed 'General case' 0 C--N 1.259 -3.367 0 CA-C-N 123.414 2.825 . . . . 0.0 117.878 -170.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -68.99 -55.67 10.16 Favored Pre-proline 2 CA--C 1.692 6.43 1 CA-C-O 109.205 -5.188 . . . . 0.0 113.536 -176.306 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -71.14 -56.82 0.11 Allowed 'Trans proline' 0 CA--C 1.559 1.733 0 O-C-N 126.163 2.665 . . . . 0.0 114.418 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -69.85 -45.86 66.85 Favored 'General case' 1 CA--C 1.721 7.556 0 C-N-CA 125.785 1.634 . . . . 0.0 114.502 -162.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.404 ' HG ' ' HE ' ' A' ' 12' ' ' ARG 0.377 5.5 m -73.01 -37.41 66.97 Favored 'General case' 2 N--CA 1.585 6.297 3 O-C-N 134.004 7.065 . . . . 0.0 114.907 171.288 . . . . . . . . 5 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -55.94 -52.27 64.72 Favored 'General case' 1 N--CA 1.575 5.821 0 N-CA-C 117.383 2.364 . . . . 0.0 117.383 159.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -55.84 -36.87 68.0 Favored 'General case' 0 CA--C 1.605 3.058 0 CA-C-N 119.779 1.172 . . . . 0.0 113.807 162.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.404 ' HE ' ' HG ' ' A' ' 9' ' ' CYS 0.367 0.6 OUTLIER -58.02 -33.69 69.22 Favored 'General case' 2 N--CA 1.595 6.786 1 O-C-N 116.249 -4.032 . . . . 0.0 117.548 166.601 . . . . . . . . 6 4 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.2 m -63.15 -34.21 77.13 Favored 'General case' 1 CA--C 1.673 5.701 1 O-C-N 116.222 -4.049 . . . . 0.0 113.345 174.051 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.259 1.3 mtt180 -55.54 -29.18 58.47 Favored 'General case' 0 N--CA 1.404 -2.766 0 C-N-CA 117.273 -1.771 . . . . 0.0 115.184 159.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.356 19.0 m170 -66.16 -27.89 68.36 Favored 'General case' 1 CA--C 1.651 4.836 0 CA-C-O 114.956 -2.449 . . . . 0.0 110.132 169.843 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.409 ' H ' ' HD2' ' A' ' 17' ' ' PRO 0.264 0.7 OUTLIER -48.98 -35.43 10.15 Favored Pre-proline 2 N--CA 1.566 5.368 0 CA-C-O 113.056 -3.354 . . . . 0.0 108.504 -172.233 . . . . . . . . 5 4 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HD2' ' H ' ' A' ' 16' ' ' LEU . 56.5 Cg_endo -70.58 -33.6 13.24 Favored 'Trans proline' 1 CA--C 1.714 9.5 1 C-N-CA 130.151 7.234 . . . . 0.0 117.44 170.444 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.458 2.6 pp -67.57 -40.36 84.89 Favored 'General case' 0 N--CA 1.524 3.253 0 CA-C-O 114.409 -2.71 . . . . 0.0 110.764 158.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 42.14 41.7 2.15 Favored 'General case' 1 N--CA 1.597 6.897 1 N-CA-C 123.177 4.51 . . . . 0.0 123.177 -177.089 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -111.04 -18.04 13.13 Favored 'General case' 1 C--N 1.445 4.751 0 O-C-N 120.598 -1.314 . . . . 0.0 113.498 174.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 t -112.86 55.02 0.7 Allowed 'General case' 1 CA--C 1.647 4.687 1 CA-C-O 131.707 5.527 . . . . 0.0 108.951 174.23 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.301 0.0 OUTLIER -56.82 -66.81 0.38 Allowed 'General case' 0 C--O 1.273 2.328 0 CA-C-N 108.504 -3.953 . . . . 0.0 107.003 171.545 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -57.85 -63.39 1.27 Allowed 'General case' 0 C--N 1.426 3.913 0 CA-C-O 114.565 -2.636 . . . . 0.0 114.073 163.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.88 118.33 0.01 OUTLIER Glycine 2 CA--C 1.676 10.124 0 CA-C-O 114.73 -3.261 . . . . 0.0 110.592 -172.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -99.87 51.8 0.05 OUTLIER 'Trans proline' 1 N--CA 1.63 9.549 1 CA-C-N 124.397 4.098 . . . . 0.0 117.478 177.13 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp -106.8 -76.24 0.62 Allowed 'General case' 1 CA--C 1.678 5.873 0 CA-C-O 127.51 3.529 . . . . 0.0 109.186 175.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . 0.345 1.3 p -111.45 131.39 22.32 Favored Pre-proline 1 C--N 1.509 7.541 1 CA-C-N 108.1 -4.136 . . . . 0.0 111.009 -176.237 . . . . . . . . 4 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -80.27 79.82 3.22 Favored 'Trans proline' 1 CA--C 1.672 7.407 0 N-CA-C 121.149 3.48 . . . . 0.0 121.149 -168.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 55.35 60.69 3.24 Favored 'General case' 1 CA--C 1.694 6.493 1 C-N-CA 133.393 4.677 . . . . 0.0 110.15 -171.678 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . 0.255 4.2 t -78.63 -5.77 53.84 Favored 'General case' 0 C--O 1.179 -2.649 0 N-CA-C 121.472 3.879 . . . . 0.0 121.472 165.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 tmm? -77.16 -37.53 53.69 Favored 'General case' 0 CA--C 1.595 2.692 0 C-N-CA 129.859 3.263 . . . . 0.0 110.5 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.271 16.0 pttt -55.41 -38.86 69.49 Favored 'General case' 1 N--CA 1.557 4.913 0 O-C-N 118.735 -2.478 . . . . 0.0 116.493 162.359 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.344 . . -60.41 -36.35 77.93 Favored 'General case' 0 C--N 1.4 2.762 1 N-CA-C 123.316 4.562 . . . . 0.0 123.316 169.709 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.51 -40.25 96.56 Favored 'General case' 1 N--CA 1.553 4.7 1 O-C-N 114.498 -5.126 . . . . 0.0 113.084 166.867 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.289 4.5 mp -47.33 -40.71 17.8 Favored 'General case' 0 C--O 1.266 1.932 0 C-N-CA 128.893 2.877 . . . . 0.0 117.004 169.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -72.93 -57.69 2.92 Favored Pre-proline 1 CA--C 1.685 6.159 0 N-CA-C 120.56 3.541 . . . . 0.0 120.56 171.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -59.11 -13.14 18.07 Favored 'Trans proline' 1 N--CA 1.554 5.046 0 C-N-CA 123.332 2.688 . . . . 0.0 113.168 170.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 1 CA--C 1.66 5.21 0 CA-C-N 124.542 3.337 . . . . 0.0 105.992 161.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.413 33.0 p-90 . . . . . 0 CA--C 1.601 2.92 1 N-CA-C 125.551 5.389 . . . . 0.0 125.551 . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.272 4.7 mp -76.93 -45.16 28.83 Favored 'General case' 1 CA--C 1.693 6.47 1 CA-C-N 108.383 -4.008 . . . . 0.0 106.879 174.641 . . . . . . . . 4 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 tp -63.14 -19.28 23.34 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.21 0 CA-C-N 122.407 2.367 . . . . 0.0 111.545 168.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.5 t -75.89 -62.12 1.7 Allowed 'General case' 0 C--O 1.197 -1.681 0 CA-C-O 115.999 -1.953 . . . . 0.0 115.479 166.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.514 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.344 10.5 pt-20 -51.39 -61.53 2.19 Favored 'General case' 0 N--CA 1.524 3.272 0 N-CA-C 120.85 3.648 . . . . 0.0 120.85 -168.317 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.32 -54.91 22.29 Favored Pre-proline 0 N--CA 1.392 -3.368 0 N-CA-C 119.642 3.201 . . . . 0.0 119.642 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.312 87.9 Cg_endo -70.02 -56.9 0.12 Allowed 'Trans proline' 0 C--N 1.381 2.282 2 O-C-N 110.43 -5.616 . . . . 0.0 115.988 174.25 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 m -68.94 -49.65 56.21 Favored 'General case' 1 N--CA 1.543 4.21 0 CA-C-O 126.224 2.916 . . . . 0.0 114.291 -162.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.453 ' HG ' ' HE ' ' A' ' 12' ' ' ARG 0.514 3.9 m -58.34 -47.55 83.4 Favored 'General case' 1 C--N 1.436 4.335 0 C-N-CA 129.127 2.971 . . . . 0.0 118.519 171.367 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.254 11.7 ttt-85 -51.94 -48.3 64.32 Favored 'General case' 1 CA--C 1.633 4.16 0 N-CA-C 121.642 3.942 . . . . 0.0 121.642 163.156 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.276 14.0 m-80 -56.26 -39.64 72.94 Favored 'General case' 1 CA--C 1.681 5.982 0 CA-C-O 114.183 -2.817 . . . . 0.0 109.46 153.991 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.453 ' HE ' ' HG ' ' A' ' 9' ' ' CYS 0.523 0.5 OUTLIER -54.55 -36.16 64.01 Favored 'General case' 1 CA--C 1.642 4.486 2 CA-C-N 130.994 6.27 . . . . 0.0 117.58 172.737 . . . . . . . . 6 4 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -57.81 -35.11 70.39 Favored 'General case' 1 N--CA 1.548 4.436 0 CA-C-O 127.225 3.393 . . . . 0.0 118.229 170.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -63.06 -35.47 80.35 Favored 'General case' 1 N--CA 1.592 6.644 0 CA-C-N 110.899 -2.864 . . . . 0.0 106.729 166.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.344 12.1 m170 -57.69 -32.79 67.69 Favored 'General case' 2 N--CA 1.608 7.459 1 O-C-N 115.976 -4.202 . . . . 0.0 113.608 165.226 . . . . . . . . 4 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.258 0.6 OUTLIER -44.31 -33.12 1.06 Allowed Pre-proline 1 CA--C 1.649 4.751 2 O-C-N 113.687 -5.633 . . . . 0.0 110.956 -173.329 . . . . . . . . 5 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -69.81 -33.6 16.09 Favored 'Trans proline' 1 N--CA 1.541 4.267 1 C-N-CA 133.026 9.151 . . . . 0.0 119.836 166.966 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.59 1.4 pp -69.84 -43.99 70.84 Favored 'General case' 1 N--CA 1.56 5.029 0 CA-C-N 111.48 -2.6 . . . . 0.0 110.185 160.239 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.266 0.0 OUTLIER 47.78 35.01 4.23 Favored 'General case' 0 CA--C 1.625 3.852 0 N-CA-C 121.366 3.839 . . . . 0.0 121.366 178.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -107.62 -19.88 13.41 Favored 'General case' 0 C--O 1.273 2.323 0 CA-C-N 123.93 3.059 . . . . 0.0 117.036 171.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 t -113.95 62.75 0.66 Allowed 'General case' 0 CA--C 1.628 3.948 0 CA-C-O 128.395 3.95 . . . . 0.0 105.991 169.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.374 0.0 OUTLIER -59.77 -61.16 2.82 Favored 'General case' 0 CA--C 1.556 1.19 1 O-C-N 114.043 -5.411 . . . . 0.0 111.463 161.687 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -69.76 -69.14 0.36 Allowed 'General case' 1 N--CA 1.548 4.43 0 O-C-N 128.861 3.851 . . . . 0.0 106.908 167.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.35 112.55 0.01 OUTLIER Glycine 0 C--N 1.388 3.445 0 CA-C-N 125.081 3.582 . . . . 0.0 117.35 -161.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.276 3.6 Cg_endo -82.38 45.89 2.05 Favored 'Trans proline' 1 CA--C 1.727 10.134 1 N-CA-C 123.515 4.39 . . . . 0.0 123.515 -179.783 . . . . . . . . 4 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -115.95 -71.16 0.75 Allowed 'General case' 0 CA--C 1.622 3.717 0 C-N-CA 130.133 3.373 . . . . 0.0 110.963 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.582 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 1.3 p -116.4 142.23 29.15 Favored Pre-proline 0 N--CA 1.52 3.07 1 N-CA-C 98.695 -4.557 . . . . 0.0 98.695 -173.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.298 89.7 Cg_endo -101.42 72.42 0.04 OUTLIER 'Trans proline' 2 CA--C 1.696 8.587 0 O-C-N 117.046 -2.134 . . . . 0.0 109.226 -158.647 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.604 . . 79.19 44.6 0.06 Allowed 'General case' 0 C--N 1.403 2.901 0 O-C-N 116.355 -3.966 . . . . 0.0 115.035 -176.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.582 ' HB2' ' SG ' ' A' ' 27' ' ' CYS 0.361 4.8 t -83.18 -3.99 57.94 Favored 'General case' 0 CA--C 1.613 3.377 0 N-CA-C 119.46 3.133 . . . . 0.0 119.46 174.604 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -76.46 -37.64 56.62 Favored 'General case' 2 N--CA 1.605 7.312 0 C-N-CA 130.455 3.502 . . . . 0.0 105.831 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.282 12.8 pttt -57.89 -43.91 86.38 Favored 'General case' 1 N--CA 1.558 4.939 0 CA-C-O 114.78 -2.533 . . . . 0.0 113.182 165.555 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.24 69.4 Favored 'General case' 1 N--CA 1.592 6.656 0 CA-C-O 112.755 -3.498 . . . . 0.0 117.303 169.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -72.94 -38.76 66.67 Favored 'General case' 2 N--CA 1.625 8.281 0 CA-C-N 124.354 3.252 . . . . 0.0 109.826 166.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.254 7.1 mp -44.24 -32.05 1.17 Allowed 'General case' 1 N--CA 1.561 5.094 0 CA-C-O 113.962 -2.923 . . . . 0.0 116.663 168.275 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -78.72 -57.0 0.86 Allowed Pre-proline 0 CA--C 1.599 2.853 0 N-CA-C 121.738 3.977 . . . . 0.0 121.738 171.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 1.518 ' CB ' ' CA ' ' A' ' 37' ' ' PRO 0.394 37.3 Cg_endo -59.85 -16.46 38.14 Favored 'Trans proline' 1 C--N 1.452 5.974 1 C-N-CA 128.536 6.157 . . . . 0.0 113.941 167.793 . . . . . . . . 5 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.483 11.0 pt-20 . . . . . 2 C--N 1.486 6.521 0 CA-C-N 122.275 2.307 . . . . 0.0 104.935 165.635 . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 . . . . . 0 CA--C 1.617 3.557 1 CA-C-O 110.903 -4.38 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.333 2.4 mp -63.88 -50.17 69.83 Favored 'General case' 0 C--N 1.391 2.411 1 O-C-N 130.006 4.566 . . . . 0.0 114.264 162.309 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.507 9.8 tp -50.32 -30.95 7.87 Favored 'Isoleucine or valine' 0 C--O 1.303 3.886 1 N-CA-C 125.944 5.535 . . . . 0.0 125.944 170.722 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -66.38 -60.69 2.52 Favored 'General case' 1 CA--C 1.655 4.986 0 CA-C-N 108.596 -3.911 . . . . 0.0 116.503 168.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.514 3.4 pt-20 -49.09 -58.69 4.54 Favored 'General case' 0 CA--C 1.589 2.446 0 N-CA-C 121.138 3.755 . . . . 0.0 121.138 -168.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -69.17 -58.28 6.38 Favored Pre-proline 0 N--CA 1.534 3.757 1 CA-C-O 108.489 -5.529 . . . . 0.0 114.158 175.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.37 0.7 OUTLIER -75.76 -57.56 0.05 OUTLIER 'Trans proline' 1 CA--C 1.625 5.054 0 CA-C-N 125.286 2.924 . . . . 0.0 118.517 -179.73 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.294 0.8 OUTLIER -52.82 -57.99 8.39 Favored 'General case' 1 C--N 1.444 4.71 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -177.587 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.454 ' C ' ' H ' ' A' ' 12' ' ' ARG . 61.0 m -77.2 -36.94 54.43 Favored 'General case' 2 C--N 1.228 -4.699 0 C-N-CA 127.435 2.294 . . . . 0.0 108.579 -168.827 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -54.57 -38.54 66.81 Favored 'General case' 2 N--CA 1.553 4.686 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 167.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -61.41 -40.6 95.01 Favored 'General case' 2 CA--C 1.665 5.367 0 CA-C-O 116.729 -1.605 . . . . 0.0 109.529 164.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.454 ' H ' ' C ' ' A' ' 9' ' ' CYS 0.564 0.6 OUTLIER -63.63 -33.92 76.68 Favored 'General case' 1 N--CA 1.646 9.375 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 175.512 . . . . . . . . 5 4 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -60.52 -32.7 71.71 Favored 'General case' 2 C--N 1.437 4.412 1 CA-C-O 111.232 -4.223 . . . . 0.0 118.488 169.514 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.9 -34.68 75.04 Favored 'General case' 1 CA--C 1.641 4.458 2 O-C-N 131.906 5.754 . . . . 0.0 114.651 158.319 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.403 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.38 45.1 m170 -55.03 -34.63 63.67 Favored 'General case' 1 CA--C 1.721 7.537 1 O-C-N 132.574 6.171 . . . . 0.0 111.8 166.033 . . . . . . . . 5 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 1.53 ' CD2' ' CG ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -43.54 -36.12 1.98 Allowed Pre-proline 1 N--CA 1.549 4.522 0 CA-C-O 113.045 -3.359 . . . . 0.0 118.362 -178.933 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -57.95 -42.27 60.08 Favored 'Trans proline' 2 N--CA 1.572 6.097 1 C-N-CA 132.103 8.535 . . . . 0.0 111.79 164.179 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 15' ' ' HIS . 1.7 pp -71.99 -48.79 42.36 Favored 'General case' 0 N--CA 1.526 3.373 0 CA-C-O 116.772 -1.585 . . . . 0.0 109.923 168.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.01 38.71 10.79 Favored 'General case' 1 N--CA 1.542 4.129 0 CA-C-N 122.615 2.462 . . . . 0.0 110.061 164.87 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -106.31 -31.16 8.74 Favored 'General case' 1 N--CA 1.557 4.885 0 CA-C-N 122.911 2.596 . . . . 0.0 117.868 161.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' A' ' 21' ' ' SER . 2.0 t -90.91 43.78 1.16 Allowed 'General case' 0 CA--C 1.49 -1.36 0 O-C-N 126.867 2.605 . . . . 0.0 116.074 165.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.426 0.0 OUTLIER -45.26 -56.98 4.3 Favored 'General case' 1 CA--C 1.633 4.157 0 CA-C-O 124.908 2.29 . . . . 0.0 108.624 172.326 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.5 p -68.79 -69.65 0.32 Allowed 'General case' 1 N--CA 1.558 4.945 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 170.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.88 126.83 0.1 OUTLIER Glycine 0 CA--C 1.573 3.66 1 CA-C-O 112.182 -4.677 . . . . 0.0 111.633 -174.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.38 0.0 OUTLIER -93.04 53.94 0.45 Allowed 'Trans proline' 1 N--CA 1.553 5.023 2 CA-C-N 126.755 5.278 . . . . 0.0 117.085 176.506 . . . . . . . . 5 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.312 7.0 mp -127.66 -52.34 1.36 Allowed 'General case' 1 N--CA 1.557 4.911 1 O-C-N 116.183 -4.073 . . . . 0.0 109.348 -179.877 . . . . . . . . 4 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 1.7 p -139.36 122.25 10.51 Favored Pre-proline 0 C--O 1.189 -2.112 1 O-C-N 115.983 -4.198 . . . . 0.0 100.513 -168.192 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -84.09 68.56 6.62 Favored 'Trans proline' 1 CA--C 1.429 -4.754 0 N-CA-C 119.139 2.707 . . . . 0.0 119.139 -162.267 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.31 70.83 0.26 Allowed 'General case' 1 CA--C 1.662 5.274 0 O-C-N 126.521 2.388 . . . . 0.0 115.409 -173.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.536 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 5.6 t -99.14 -17.38 18.22 Favored 'General case' 1 CA--C 1.697 6.61 1 CA-C-N 106.165 -5.016 . . . . 0.0 111.047 179.313 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -35.29 76.95 Favored 'General case' 0 C--N 1.426 3.926 0 N-CA-C 120.413 3.486 . . . . 0.0 120.413 168.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -74.09 -35.41 64.19 Favored 'General case' 1 CA--C 1.709 7.073 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.6 171.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.14 -31.77 69.26 Favored 'General case' 0 N--CA 1.519 2.995 0 CA-C-O 112.63 -3.557 . . . . 0.0 120.196 163.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 m -61.2 -39.78 91.5 Favored 'General case' 1 CA--C 1.652 4.866 0 CA-C-N 125.437 3.744 . . . . 0.0 111.293 165.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.27 -28.24 67.9 Favored 'General case' 0 CA--C 1.584 2.283 0 C-N-CA 126.823 2.049 . . . . 0.0 109.69 -171.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -72.74 -60.05 2.12 Favored Pre-proline 2 N--CA 1.589 6.517 1 CA-C-O 107.626 -5.94 . . . . 0.0 118.291 164.193 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -61.84 -13.17 29.16 Favored 'Trans proline' 0 N--CA 1.523 3.228 1 C-N-CA 126.406 4.737 . . . . 0.0 113.951 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 2 CA--C 1.697 6.616 1 CA-C-O 106.951 -6.261 . . . . 0.0 117.384 163.332 . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 4.0 p-90 . . . . . 0 CA--C 1.615 3.451 0 CA-C-O 116.171 -1.871 . . . . 0.0 107.945 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mp -83.93 -46.3 12.25 Favored 'General case' 0 CA--C 1.621 3.686 0 N-CA-C 101.223 -3.621 . . . . 0.0 101.223 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.411 9.9 tp -55.1 -34.33 31.97 Favored 'Isoleucine or valine' 2 CA--C 1.709 7.064 0 CA-C-N 123.214 2.734 . . . . 0.0 114.31 175.381 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.341 2.5 t -70.69 -56.12 7.15 Favored 'General case' 0 CA--C 1.605 3.086 2 O-C-N 132.511 6.132 . . . . 0.0 114.751 172.86 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.429 3.3 pt-20 -53.94 -60.94 2.67 Favored 'General case' 0 N--CA 1.533 3.711 0 N-CA-C 117.393 2.368 . . . . 0.0 117.393 -168.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.53 -51.38 32.39 Favored Pre-proline 0 C--N 1.4 2.775 0 CA-C-O 113.154 -3.308 . . . . 0.0 115.464 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.364 0.1 OUTLIER -80.69 -53.05 0.04 OUTLIER 'Trans proline' 1 C--N 1.453 6.038 0 N-CA-C 121.143 3.478 . . . . 0.0 121.143 173.841 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.5 m -56.92 -60.02 4.2 Favored 'General case' 1 N--CA 1.586 6.336 0 CA-C-O 128.348 3.927 . . . . 0.0 114.443 -176.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.33 6.0 m -69.14 -35.34 76.26 Favored 'General case' 0 C--O 1.288 3.114 1 O-C-N 115.742 -4.349 . . . . 0.0 115.709 -178.851 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.323 11.2 ttt-85 -50.56 -38.45 45.13 Favored 'General case' 0 C--N 1.419 3.593 0 CA-C-N 123.641 2.928 . . . . 0.0 112.799 170.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -62.73 -41.72 99.32 Favored 'General case' 1 N--CA 1.546 4.355 1 CA-C-N 108.2 -4.091 . . . . 0.0 114.398 167.495 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.358 0.1 OUTLIER -68.2 -33.57 74.68 Favored 'General case' 1 N--CA 1.602 7.164 0 CA-C-O 112.46 -3.638 . . . . 0.0 112.359 174.604 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.4 m -56.99 -38.9 73.69 Favored 'General case' 0 N--CA 1.519 3.005 1 CA-C-O 110.913 -4.375 . . . . 0.0 113.174 170.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' HD2' HH11 ' A' ' 14' ' ' ARG . 0.6 OUTLIER -62.35 -29.17 70.27 Favored 'General case' 0 N--CA 1.506 2.345 1 O-C-N 129.459 4.224 . . . . 0.0 111.216 166.3 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.317 10.3 m170 -56.27 -32.47 64.57 Favored 'General case' 0 C--N 1.409 3.17 0 O-C-N 118.723 -2.486 . . . . 0.0 111.678 163.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.29 -38.81 16.03 Favored Pre-proline 1 CA--C 1.737 8.141 2 O-C-N 112.296 -6.502 . . . . 0.0 115.055 -175.258 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.267 22.2 Cg_endo -64.04 -27.44 65.78 Favored 'Trans proline' 0 C--N 1.285 -2.778 1 C-N-CA 127.904 5.736 . . . . 0.0 114.936 167.034 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.368 1.7 pp -74.02 -52.38 12.93 Favored 'General case' 1 N--CA 1.579 6.022 1 O-C-N 116.249 -4.032 . . . . 0.0 108.109 158.997 . . . . . . . . 4 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 64.36 39.21 7.29 Favored 'General case' 0 N--CA 1.529 3.519 0 CA-C-N 121.441 1.928 . . . . 0.0 110.721 168.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.416 47.4 p90 -109.04 -32.57 7.19 Favored 'General case' 0 N--CA 1.525 3.318 0 O-C-N 125.465 1.728 . . . . 0.0 114.004 171.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 t -96.09 51.21 1.21 Allowed 'General case' 0 N--CA 1.527 3.417 0 CA-C-O 112.698 -3.525 . . . . 0.0 104.747 171.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.439 0.0 OUTLIER -50.69 -52.41 40.37 Favored 'General case' 1 CA--C 1.644 4.595 0 CA-C-N 123.507 2.867 . . . . 0.0 110.495 167.425 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.6 p -69.45 -68.89 0.37 Allowed 'General case' 1 N--CA 1.641 9.119 0 N-CA-C 121.653 3.946 . . . . 0.0 121.653 168.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.07 133.12 0.01 OUTLIER Glycine 1 CA--C 1.594 4.989 0 CA-C-N 109.409 -3.541 . . . . 0.0 114.257 -175.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.297 2.5 Cg_endo -94.43 42.64 0.2 Allowed 'Trans proline' 0 C--N 1.406 3.568 0 CA-C-N 121.201 2.5 . . . . 0.0 114.792 -173.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.295 8.0 mp -113.57 -67.57 0.99 Allowed 'General case' 1 CA--C 1.688 6.273 1 O-C-N 115.285 -4.634 . . . . 0.0 107.966 -174.604 . . . . . . . . 4 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' A' ' 30' ' ' CYS 0.363 0.8 OUTLIER -122.15 120.71 28.16 Favored Pre-proline 1 N--CA 1.577 5.918 1 O-C-N 133.082 6.489 . . . . 0.0 103.712 -168.656 . . . . . . . . 6 4 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -84.08 79.61 2.59 Favored 'Trans proline' 0 C--O 1.284 2.798 0 C-N-CA 123.601 2.867 . . . . 0.0 113.0 -161.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.33 67.05 0.99 Allowed 'General case' 1 CA--C 1.682 6.031 0 CA-C-O 126.249 2.928 . . . . 0.0 115.067 -174.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.627 ' HB2' ' SG ' ' A' ' 27' ' ' CYS 0.402 5.4 t -91.38 -5.25 54.77 Favored 'General case' 0 C--N 1.428 3.993 1 CA-C-O 110.614 -4.517 . . . . 0.0 115.999 163.714 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -33.39 71.49 Favored 'General case' 1 N--CA 1.569 5.482 0 O-C-N 128.403 3.564 . . . . 0.0 115.696 169.325 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.314 24.7 pttt -73.92 -39.59 63.71 Favored 'General case' 1 CA--C 1.724 7.661 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 177.029 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.52 -34.15 64.41 Favored 'General case' 0 N--CA 1.532 3.66 0 N-CA-C 119.029 2.974 . . . . 0.0 119.029 168.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.8 m -58.91 -45.95 89.1 Favored 'General case' 2 N--CA 1.587 6.415 0 O-C-N 120.941 -1.099 . . . . 0.0 108.145 167.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -56.79 -40.03 75.18 Favored 'General case' 1 CA--C 1.632 4.098 0 CA-C-O 112.727 -3.511 . . . . 0.0 108.425 -168.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -58.24 -65.78 1.72 Allowed Pre-proline 0 CA--C 1.614 3.436 0 N-CA-C 120.471 3.508 . . . . 0.0 120.471 166.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -69.47 -3.19 11.32 Favored 'Trans proline' 1 C--N 1.44 5.378 1 N-CA-C 123.288 4.303 . . . . 0.0 123.288 176.646 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 CA--C 1.629 3.998 0 O-C-N 117.921 -2.987 . . . . 0.0 110.014 165.536 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.553 7.6 p-90 . . . . . 0 C--O 1.252 1.199 0 CA-C-O 126.773 3.177 . . . . 0.0 118.719 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp -93.88 -39.47 10.68 Favored 'General case' 1 N--CA 1.599 6.992 0 O-C-N 116.64 -3.787 . . . . 0.0 104.194 -173.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.0 tp -59.21 -25.94 31.95 Favored 'Isoleucine or valine' 2 N--CA 1.611 7.582 0 CA-C-N 121.417 1.917 . . . . 0.0 112.118 169.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.21 -66.82 0.49 Allowed 'General case' 0 N--CA 1.415 -2.212 0 C-N-CA 130.802 3.641 . . . . 0.0 118.878 163.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -52.4 -61.96 1.95 Allowed 'General case' 2 C--N 1.478 6.172 1 CA-C-O 109.033 -5.27 . . . . 0.0 113.183 -167.628 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.4 -55.84 32.07 Favored Pre-proline 0 N--CA 1.529 3.508 1 O-C-N 130.206 4.691 . . . . 0.0 110.077 -171.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.363 0.1 OUTLIER -79.77 -54.29 0.04 OUTLIER 'Trans proline' 1 N--CA 1.641 10.16 0 C-N-CA 125.018 3.812 . . . . 0.0 118.416 178.115 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 3.6 m -64.02 -59.4 4.52 Favored 'General case' 0 CA--C 1.629 3.998 0 CA-C-N 121.0 1.727 . . . . 0.0 112.937 -171.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -64.14 -38.22 90.29 Favored 'General case' 2 N--CA 1.573 5.706 1 CA-C-O 110.673 -4.489 . . . . 0.0 121.088 175.282 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -52.84 -32.92 47.06 Favored 'General case' 1 N--CA 1.639 8.981 1 O-C-N 133.062 6.476 . . . . 0.0 110.524 167.885 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 8' ' ' THR . 5.1 m-80 -64.34 -47.55 78.92 Favored 'General case' 0 C--O 1.261 1.665 0 CA-C-O 112.425 -3.655 . . . . 0.0 111.67 167.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.32 0.0 OUTLIER -62.19 -31.6 72.14 Favored 'General case' 0 C--O 1.186 -2.286 1 N-CA-C 123.603 4.668 . . . . 0.0 123.603 168.39 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -55.81 -36.23 67.21 Favored 'General case' 0 C--O 1.197 -1.682 0 N-CA-C 118.495 2.776 . . . . 0.0 118.495 165.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -25.21 66.95 Favored 'General case' 1 N--CA 1.587 6.387 0 C-N-CA 127.747 2.419 . . . . 0.0 106.363 167.499 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.425 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 15.6 m170 -69.22 -27.76 65.77 Favored 'General case' 1 N--CA 1.592 6.662 0 CA-C-O 113.611 -3.09 . . . . 0.0 107.879 168.691 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 1.577 ' CB ' ' CG ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -51.05 -38.68 48.3 Favored Pre-proline 2 N--CA 1.548 4.454 0 CA-C-N 122.399 2.363 . . . . 0.0 117.198 -177.066 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -47.99 -44.17 28.37 Favored 'Trans proline' 1 CA--C 1.624 4.998 1 C-N-CA 126.702 4.935 . . . . 0.0 109.645 163.025 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.498 HD13 ' H ' ' A' ' 20' ' ' PHE . 2.8 pp -78.37 -32.27 48.86 Favored 'General case' 0 C--N 1.405 2.996 0 CA-C-N 123.044 2.656 . . . . 0.0 112.151 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.76 36.75 27.85 Favored 'General case' 0 C--O 1.278 2.569 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 166.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.498 ' H ' HD13 ' A' ' 18' ' ' LEU 0.355 30.1 p90 -111.32 -30.86 7.26 Favored 'General case' 0 C--O 1.268 2.062 0 CA-C-N 122.274 2.306 . . . . 0.0 108.624 179.264 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.3 t -96.67 61.31 1.89 Allowed 'General case' 0 N--CA 1.423 -1.818 1 O-C-N 115.72 -4.363 . . . . 0.0 101.975 167.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.315 0.0 OUTLIER -63.01 -38.32 90.73 Favored 'General case' 0 N--CA 1.524 3.234 0 O-C-N 118.347 -2.721 . . . . 0.0 116.094 162.576 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -81.39 -70.68 0.52 Allowed 'General case' 0 CA--C 1.605 3.087 1 O-C-N 116.226 -4.047 . . . . 0.0 117.33 168.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.82 125.98 0.07 OUTLIER Glycine 0 C--O 1.289 3.557 0 N-CA-C 122.637 3.815 . . . . 0.0 122.637 -174.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -83.4 25.94 0.67 Allowed 'Trans proline' 1 CA--C 1.662 6.89 0 CA-C-O 112.764 -3.098 . . . . 0.0 116.486 -170.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp -102.5 -71.43 0.72 Allowed 'General case' 0 N--CA 1.512 2.633 0 O-C-N 126.152 2.157 . . . . 0.0 113.883 -175.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.729 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.446 0.6 OUTLIER -106.61 131.25 21.86 Favored Pre-proline 0 C--N 1.378 1.818 0 C-N-CA 128.521 2.728 . . . . 0.0 103.904 -177.402 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -96.97 85.79 0.08 OUTLIER 'Trans proline' 1 CA--C 1.608 4.212 0 C-N-CA 113.992 -3.538 . . . . 0.0 110.552 -165.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 59.28 57.67 3.33 Favored 'General case' 3 CA--C 1.649 4.773 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 -168.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.729 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.522 6.0 t -86.86 5.35 37.24 Favored 'General case' 0 C--N 1.271 -2.804 0 CA-C-O 112.418 -3.658 . . . . 0.0 113.017 165.763 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -34.7 55.39 Favored 'General case' 1 N--CA 1.599 6.998 0 CA-C-N 122.422 2.374 . . . . 0.0 109.86 172.803 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.437 38.3 pttt -68.37 -38.42 81.36 Favored 'General case' 0 C--N 1.39 2.369 0 O-C-N 116.578 -3.826 . . . . 0.0 114.351 176.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.407 . . -54.91 -30.51 58.55 Favored 'General case' 0 C--O 1.261 1.693 1 O-C-N 112.639 -6.288 . . . . 0.0 119.972 167.454 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -62.04 -45.44 93.56 Favored 'General case' 1 CA--C 1.668 5.49 0 CA-C-O 125.451 2.548 . . . . 0.0 114.783 165.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.341 4.9 mp -51.47 -33.57 31.71 Favored 'General case' 0 C--O 1.254 1.312 0 N-CA-C 121.625 3.935 . . . . 0.0 121.625 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -72.98 -57.43 2.98 Favored Pre-proline 0 N--CA 1.537 3.921 0 O-C-N 128.608 3.692 . . . . 0.0 114.78 164.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -68.0 -15.82 44.07 Favored 'Trans proline' 2 CA--C 1.682 7.922 0 CA-C-O 111.319 -3.701 . . . . 0.0 119.39 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 . . . . . 1 CA--C 1.636 4.283 1 O-C-N 132.279 5.987 . . . . 0.0 106.541 173.446 . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.348 6.3 p-90 . . . . . 0 N--CA 1.519 2.993 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.29 -46.98 12.94 Favored 'General case' 0 N--CA 1.511 2.609 0 C-N-CA 128.344 2.658 . . . . 0.0 114.75 -165.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.6 tp -64.36 -23.29 33.05 Favored 'Isoleucine or valine' 0 C--O 1.157 -3.79 0 O-C-N 127.337 2.898 . . . . 0.0 111.932 166.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 t -69.81 -63.78 1.01 Allowed 'General case' 1 N--CA 1.601 7.087 0 C-N-CA 128.997 2.919 . . . . 0.0 108.576 174.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.33 12.6 pt-20 -52.35 -56.24 16.22 Favored 'General case' 0 C--O 1.302 3.829 0 N-CA-C 118.274 2.694 . . . . 0.0 118.274 -174.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.483 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 3.8 tp10 -65.02 -60.93 7.0 Favored Pre-proline 1 CA--C 1.652 4.868 1 O-C-N 114.396 -5.19 . . . . 0.0 114.584 -178.111 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 6' ' ' GLU . 49.9 Cg_endo -70.64 -49.46 0.43 Allowed 'Trans proline' 0 CA--C 1.588 3.219 1 C-N-CA 125.696 4.264 . . . . 0.0 120.782 175.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 m -68.31 -51.44 44.72 Favored 'General case' 0 C--N 1.383 2.046 1 N-CA-C 123.389 4.588 . . . . 0.0 123.389 -174.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.2 m -73.57 -39.38 64.7 Favored 'General case' 1 N--CA 1.586 6.368 1 CA-C-N 103.675 -6.148 . . . . 0.0 107.099 -174.233 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.38 34.7 ttt-85 -56.3 -43.64 79.09 Favored 'General case' 0 C--N 1.374 1.639 0 CA-C-N 125.468 3.758 . . . . 0.0 116.87 163.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -50.17 -38.69 40.94 Favored 'General case' 0 CA--C 1.596 2.714 0 O-C-N 126.158 2.161 . . . . 0.0 116.043 163.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.445 1.5 ptp180 -71.29 -36.07 71.55 Favored 'General case' 0 C--O 1.285 2.961 0 CA-C-O 114.643 -2.599 . . . . 0.0 114.911 171.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 1.557 HG23 ' CG2' ' A' ' 13' ' ' THR 0.373 2.9 m -53.45 -40.33 65.13 Favored 'General case' 0 CA--C 1.629 4.0 0 CA-C-N 121.769 2.077 . . . . 0.0 112.682 176.245 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -33.96 74.52 Favored 'General case' 0 C--O 1.271 2.225 1 CA-C-O 108.743 -5.408 . . . . 0.0 107.79 162.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.492 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.323 44.4 m170 -57.69 -30.44 65.48 Favored 'General case' 0 CA--C 1.605 3.091 0 CA-C-N 123.27 2.759 . . . . 0.0 110.728 173.12 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 1.502 ' C ' ' CA ' ' A' ' 16' ' ' LEU 0.391 4.7 tt -44.99 -48.84 30.42 Favored Pre-proline 1 CA--C 1.745 8.467 0 O-C-N 118.398 -2.689 . . . . 0.0 109.581 -173.588 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HD2' ' H ' ' A' ' 16' ' ' LEU . 5.1 Cg_exo -40.72 -52.11 3.33 Favored 'Trans proline' 0 N--CA 1.534 3.894 0 C-N-CA 123.556 2.837 . . . . 0.0 111.384 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 15' ' ' HIS 0.399 4.2 pp -58.8 -49.9 75.95 Favored 'General case' 1 N--CA 1.564 5.23 0 C-N-CA 127.977 2.511 . . . . 0.0 115.37 170.728 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.409 ' HB2' HE21 ' A' ' 19' ' ' GLN . 0.0 OUTLIER 53.46 47.05 24.94 Favored 'General case' 1 N--CA 1.55 4.529 0 O-C-N 117.824 -3.047 . . . . 0.0 118.848 176.845 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.535 1.7 p90 -104.16 -45.67 4.65 Favored 'General case' 1 N--CA 1.587 6.416 0 O-C-N 120.257 -1.527 . . . . 0.0 113.037 166.454 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 t -91.2 73.52 6.25 Favored 'General case' 1 N--CA 1.563 5.205 1 N-CA-C 98.731 -4.544 . . . . 0.0 98.731 177.282 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.443 0.0 OUTLIER -91.23 -33.06 15.52 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 127.009 2.693 . . . . 0.0 115.614 170.757 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 p -90.89 -68.87 0.76 Allowed 'General case' 1 CA--C 1.645 4.6 0 CA-C-O 113.33 -3.224 . . . . 0.0 108.363 161.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.97 116.56 0.55 Allowed Glycine 1 C--N 1.447 6.71 2 CA-C-O 109.128 -6.373 . . . . 0.0 119.77 -167.324 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.274 60.7 Cg_endo -65.16 2.77 1.25 Allowed 'Trans proline' 1 N--CA 1.629 9.453 2 CA-C-N 127.829 5.814 . . . . 0.0 126.266 167.973 . . . . . . . . 4 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.26 1.1 mp -88.15 -76.28 0.39 Allowed 'General case' 0 C--N 1.425 3.87 0 CA-C-O 121.856 0.836 . . . . 0.0 112.291 -170.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.7 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 23.3 p -100.04 124.61 42.88 Favored Pre-proline 0 C--O 1.301 3.77 2 O-C-N 130.614 4.946 . . . . 0.0 104.63 -179.836 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -84.86 82.36 1.76 Allowed 'Trans proline' 1 CA--C 1.609 4.243 0 N-CA-C 117.286 1.995 . . . . 0.0 117.286 -178.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 51.25 76.46 0.16 Allowed 'General case' 1 N--CA 1.558 4.945 2 N-CA-C 126.096 5.591 . . . . 0.0 126.096 -156.729 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.7 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 9.6 t -102.74 10.75 38.36 Favored 'General case' 0 CA--C 1.62 3.663 2 O-C-N 132.464 6.103 . . . . 0.0 113.243 176.052 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.05 -37.53 22.0 Favored 'General case' 0 C--N 1.423 3.785 1 O-C-N 131.392 5.432 . . . . 0.0 109.156 175.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -74.34 -31.85 62.59 Favored 'General case' 0 C--O 1.198 -1.65 0 CA-C-N 121.768 2.077 . . . . 0.0 114.637 -176.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.332 . . -61.06 -34.61 75.16 Favored 'General case' 0 CA--C 1.6 2.891 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 166.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.413 ' H ' ' HG1' ' A' ' 34' ' ' THR . 1.8 m -55.65 -44.69 77.44 Favored 'General case' 1 N--CA 1.597 6.925 0 CA-C-O 123.615 1.674 . . . . 0.0 114.11 165.74 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -32.1 67.46 Favored 'General case' 0 C--N 1.255 -3.526 0 CA-C-O 112.281 -3.723 . . . . 0.0 111.066 177.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.349 54.4 mt-30 -67.34 -62.53 3.49 Favored Pre-proline 0 CA--C 1.622 3.717 1 CA-C-N 127.881 4.855 . . . . 0.0 111.677 171.553 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.293 8.5 Cg_endo -45.13 -42.32 16.38 Favored 'Trans proline' 1 C--N 1.5 8.541 1 N-CA-C 123.88 4.531 . . . . 0.0 123.88 170.812 . . . . . . . . 4 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.429 14.5 pt-20 . . . . . 2 C--N 1.493 6.83 0 N-CA-C 105.291 -2.115 . . . . 0.0 105.291 -178.655 . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.411 ' H2 ' ' H ' ' A' ' 2' ' ' LEU 0.486 1.8 p-90 . . . . . 0 CA--C 1.594 2.638 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.411 ' H ' ' H2 ' ' A' ' 1' ' ' TRP . 1.0 OUTLIER -81.94 -48.49 11.42 Favored 'General case' 1 CA--C 1.409 -4.474 0 N-CA-C 121.614 3.931 . . . . 0.0 121.614 -171.475 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 tp -60.92 -34.25 58.85 Favored 'Isoleucine or valine' 1 CA--C 1.657 5.089 0 CA-C-O 124.349 2.023 . . . . 0.0 108.685 170.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 t -50.75 -63.53 1.1 Allowed 'General case' 0 CA--C 1.456 -2.671 2 O-C-N 113.79 -5.569 . . . . 0.0 122.292 168.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.293 11.4 pt-20 -54.24 -52.46 61.26 Favored 'General case' 1 N--CA 1.566 5.363 0 CA-C-N 110.6 -3.0 . . . . 0.0 118.76 -178.519 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.454 0.2 OUTLIER -60.83 -71.38 0.34 Allowed Pre-proline 1 N--CA 1.57 5.575 0 CA-C-O 114.172 -2.823 . . . . 0.0 110.575 179.141 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.57 -47.04 1.07 Allowed 'Trans proline' 0 N--CA 1.533 3.844 1 C-N-CA 127.974 5.783 . . . . 0.0 120.633 -176.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 m -72.77 -56.29 5.47 Favored 'General case' 2 N--CA 1.584 6.243 0 O-C-N 129.072 3.982 . . . . 0.0 112.798 -170.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.0 m -71.84 -38.97 70.03 Favored 'General case' 1 CA--C 1.698 6.637 0 CA-C-N 111.291 -2.686 . . . . 0.0 115.286 -171.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.278 59.8 ttt-85 -55.08 -43.56 74.04 Favored 'General case' 0 C--O 1.28 2.675 0 CA-C-O 113.491 -3.147 . . . . 0.0 111.963 161.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -49.27 -40.33 33.94 Favored 'General case' 0 C--N 1.385 2.116 0 CA-C-N 120.757 1.617 . . . . 0.0 111.794 163.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.481 1.0 OUTLIER -69.25 -35.21 75.88 Favored 'General case' 0 CA--C 1.458 -2.568 0 N-CA-C 120.157 3.391 . . . . 0.0 120.157 173.177 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.275 4.0 m -57.76 -39.53 77.64 Favored 'General case' 1 C--N 1.462 5.458 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -179.553 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -53.79 -29.9 42.35 Favored 'General case' 1 N--CA 1.549 4.516 0 O-C-N 127.703 3.127 . . . . 0.0 116.951 159.293 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.252 36.3 m170 -61.02 -26.09 67.37 Favored 'General case' 3 CA--C 1.67 5.592 0 N-CA-C 103.84 -2.652 . . . . 0.0 103.84 176.881 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.322 7.1 tt -55.51 -32.15 11.81 Favored Pre-proline 2 CA--C 1.648 4.743 0 CA-C-N 121.818 2.099 . . . . 0.0 112.436 -170.419 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.329 2.8 Cg_endo -49.34 -51.51 10.55 Favored 'Trans proline' 2 N--CA 1.601 7.849 0 C-N-CA 124.383 3.389 . . . . 0.0 112.351 172.071 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.32 4.3 pp -59.66 -47.52 85.31 Favored 'General case' 1 N--CA 1.602 7.17 0 O-C-N 126.294 2.246 . . . . 0.0 115.528 170.85 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.495 HE21 ' HB2' ' A' ' 19' ' ' GLN 0.343 0.8 OUTLIER 53.79 46.99 24.66 Favored 'General case' 1 CA--C 1.632 4.114 1 N-CA-C 122.118 4.118 . . . . 0.0 122.118 178.933 . . . . . . . . 6 4 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.352 7.4 p90 -108.88 -50.43 3.01 Favored 'General case' 1 C--O 1.349 6.323 0 O-C-N 120.139 -1.601 . . . . 0.0 110.898 168.004 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.24 68.17 9.78 Favored 'General case' 0 CA--C 1.584 2.274 0 O-C-N 119.43 -2.044 . . . . 0.0 111.249 173.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.29 0.0 OUTLIER -81.55 -28.69 33.77 Favored 'General case' 0 C--N 1.428 3.997 0 CA-C-N 112.583 -2.099 . . . . 0.0 116.517 170.498 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 p -93.94 -73.51 0.57 Allowed 'General case' 1 CA--C 1.68 5.967 0 CA-C-O 112.036 -3.84 . . . . 0.0 103.789 166.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.533 ' C ' ' CA ' ' A' ' 25' ' ' PRO . . . 84.3 121.83 0.94 Allowed Glycine 1 N--CA 1.579 8.216 1 CA-C-O 109.604 -6.109 . . . . 0.0 118.642 -166.712 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 1.44 ' CA ' ' N ' ' A' ' 25' ' ' PRO . 13.1 Cg_endo -74.6 6.07 3.43 Favored 'Trans proline' 2 N--CA 1.681 12.5 1 CA-C-N 126.143 4.971 . . . . 0.0 117.666 173.303 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.252 4.9 mp -87.09 -81.52 0.23 Allowed 'General case' 0 N--CA 1.52 3.052 0 CA-C-O 127.083 3.325 . . . . 0.0 111.604 -172.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 29.3 p -104.38 122.12 44.99 Favored Pre-proline 0 N--CA 1.389 -3.486 1 CA-C-O 131.999 5.666 . . . . 0.0 103.855 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -79.62 77.15 4.19 Favored 'Trans proline' 2 N--CA 1.588 7.033 1 O-C-N 112.245 -4.661 . . . . 0.0 119.469 -178.538 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 57.04 74.43 0.41 Allowed 'General case' 0 CA--C 1.606 3.104 0 CA-C-N 111.474 -2.603 . . . . 0.0 116.06 -161.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.529 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 9.9 t -98.3 3.34 48.71 Favored 'General case' 0 C--O 1.263 1.788 0 C-N-CA 128.916 2.887 . . . . 0.0 116.664 168.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -44.15 48.26 Favored 'General case' 2 N--CA 1.574 5.754 0 CA-C-O 113.361 -3.209 . . . . 0.0 110.236 169.331 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -64.54 -30.45 71.48 Favored 'General case' 1 N--CA 1.551 4.577 0 CA-C-N 125.37 3.714 . . . . 0.0 120.75 176.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.426 ' O ' ' CD ' ' A' ' 37' ' ' PRO 0.385 . . -61.38 -32.81 72.74 Favored 'General case' 0 C--O 1.26 1.64 0 N-CA-C 118.911 2.93 . . . . 0.0 118.911 164.847 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -53.39 -49.3 67.53 Favored 'General case' 2 N--CA 1.593 6.689 0 CA-C-O 125.358 2.504 . . . . 0.0 112.858 166.476 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.269 0.6 OUTLIER -48.53 -47.25 39.29 Favored 'General case' 0 C--N 1.392 2.451 0 C-N-CA 130.178 3.391 . . . . 0.0 113.708 172.189 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -68.14 -61.88 3.68 Favored Pre-proline 1 CA--C 1.67 5.564 1 CA-C-O 111.382 -4.152 . . . . 0.0 105.648 -179.455 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.426 ' CD ' ' O ' ' A' ' 33' ' ' ALA 0.276 0.9 OUTLIER -50.93 -40.22 58.39 Favored 'Trans proline' 1 CA--C 1.63 5.322 1 C-N-CA 127.586 5.524 . . . . 0.0 119.877 172.594 . . . . . . . . 6 4 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.288 14.0 pt-20 . . . . . 1 N--CA 1.591 6.578 0 CA-C-N 125.521 3.782 . . . . 0.0 112.302 177.328 . . . . . . . . 2 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.469 2.5 p-90 . . . . . 0 CA--C 1.587 2.403 0 CA-C-O 123.807 1.765 . . . . 0.0 110.076 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.68 -46.23 12.54 Favored 'General case' 1 CA--C 1.641 4.474 0 N-CA-C 120.119 3.377 . . . . 0.0 120.119 -166.359 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.319 5.0 tp -61.65 -29.18 45.61 Favored 'Isoleucine or valine' 1 CA--C 1.716 7.328 1 O-C-N 129.217 4.073 . . . . 0.0 111.042 166.434 . . . . . . . . 4 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.408 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 4.3 t -69.38 -55.31 10.74 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 110.139 -3.209 . . . . 0.0 115.161 176.524 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -55.32 -53.19 59.28 Favored 'General case' 1 C--O 1.31 4.246 0 O-C-N 126.401 2.313 . . . . 0.0 112.824 -175.029 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.444 0.0 OUTLIER -65.08 -56.51 19.97 Favored Pre-proline 1 N--CA 1.573 5.709 0 CA-C-N 124.78 3.446 . . . . 0.0 114.868 -179.18 . . . . . . . . 4 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -83.79 -43.4 0.07 OUTLIER 'Trans proline' 1 C--N 1.467 6.787 0 O-C-N 115.602 -2.894 . . . . 0.0 116.675 -177.855 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m -73.76 -52.16 14.07 Favored 'General case' 0 CA--C 1.584 2.287 1 CA-C-O 129.189 4.328 . . . . 0.0 114.928 -166.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.483 84.2 m -66.86 -50.95 60.9 Favored 'General case' 0 C--O 1.288 3.081 1 CA-C-N 108.325 -4.034 . . . . 0.0 113.471 179.832 . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.268 73.6 ttt-85 -59.18 -41.08 87.6 Favored 'General case' 1 N--CA 1.633 8.694 0 CA-C-O 112.01 -3.852 . . . . 0.0 104.873 174.465 . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -54.6 -33.38 60.29 Favored 'General case' 1 C--N 1.439 4.477 0 CA-C-N 125.558 3.799 . . . . 0.0 108.459 167.085 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.411 2.0 ptp180 -72.25 -35.46 68.8 Favored 'General case' 1 C--O 1.309 4.223 0 CA-C-N 125.006 3.548 . . . . 0.0 112.7 169.5 . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.278 5.6 m -62.14 -41.77 98.6 Favored 'General case' 0 N--CA 1.518 2.961 0 CA-C-N 122.563 2.438 . . . . 0.0 112.142 -177.577 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.393 0.5 OUTLIER -50.07 -31.56 13.44 Favored 'General case' 1 C--O 1.31 4.27 0 O-C-N 125.863 1.977 . . . . 0.0 115.482 160.303 . . . . . . . . 4 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.508 17.1 m170 -57.73 -34.7 69.78 Favored 'General case' 0 C--O 1.259 1.577 0 C-N-CA 128.285 2.634 . . . . 0.0 109.035 168.49 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.478 ' H ' ' HD2' ' A' ' 17' ' ' PRO 0.587 8.5 tt -42.43 -42.54 6.81 Favored Pre-proline 2 N--CA 1.56 5.04 0 O-C-N 116.956 -3.59 . . . . 0.0 115.101 -176.837 . . . . . . . . 4 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.478 ' HD2' ' H ' ' A' ' 16' ' ' LEU 0.422 1.9 Cg_endo -46.55 -53.4 6.11 Favored 'Trans proline' 1 N--CA 1.585 6.873 0 C-N-CA 124.204 3.269 . . . . 0.0 114.537 172.755 . . . . . . . . 4 3 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.357 4.7 pp -57.72 -50.07 74.45 Favored 'General case' 1 C--N 1.46 5.407 0 N-CA-C 118.322 2.712 . . . . 0.0 118.322 169.767 . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.412 ' HB2' HE21 ' A' ' 19' ' ' GLN 0.25 1.2 tt0 52.16 58.12 5.76 Favored 'General case' 1 CA--C 1.683 6.071 0 N-CA-C 121.563 3.912 . . . . 0.0 121.563 -177.717 . . . . . . . . 4 3 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.289 4.5 p90 -114.35 -57.37 2.28 Favored 'General case' 0 CA--C 1.605 3.094 0 N-CA-C 105.729 -1.952 . . . . 0.0 105.729 164.404 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.07 56.84 0.79 Allowed 'General case' 1 C--N 1.441 4.575 0 C-N-CA 116.499 -2.08 . . . . 0.0 116.468 173.862 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' A' ' 19' ' ' GLN 0.301 0.0 OUTLIER -70.48 -31.44 68.57 Favored 'General case' 2 N--CA 1.608 7.468 0 C-N-CA 127.647 2.379 . . . . 0.0 116.102 167.821 . . . . . . . . 5 4 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -97.3 -66.38 0.91 Allowed 'General case' 0 CA--C 1.619 3.633 0 CA-C-N 112.256 -2.247 . . . . 0.0 106.762 171.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.94 127.53 0.52 Allowed Glycine 2 N--CA 1.642 12.368 0 CA-C-O 115.526 -2.819 . . . . 0.0 116.018 -176.154 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -84.65 11.81 3.25 Favored 'Trans proline' 1 CA--C 1.653 6.426 2 CA-C-N 126.761 5.28 . . . . 0.0 123.316 176.897 . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mp -96.91 -78.69 0.47 Allowed 'General case' 1 CA--C 1.679 5.92 0 O-C-N 116.665 -3.772 . . . . 0.0 108.496 -171.646 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 24.2 p -99.41 125.44 41.11 Favored Pre-proline 1 N--CA 1.541 4.092 0 CA-C-O 125.222 2.439 . . . . 0.0 108.061 173.771 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -78.85 79.52 3.35 Favored 'Trans proline' 1 N--CA 1.555 5.104 0 N-CA-C 116.453 1.674 . . . . 0.0 116.453 -178.426 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 57.71 83.5 0.11 Allowed 'General case' 1 CA--C 1.694 6.484 0 C-N-CA 129.057 2.943 . . . . 0.0 109.751 -168.794 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.592 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.33 7.1 t -111.62 3.03 17.62 Favored 'General case' 0 N--CA 1.534 3.743 0 CA-C-N 110.119 -3.218 . . . . 0.0 113.415 172.701 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -38.15 69.79 Favored 'General case' 0 N--CA 1.517 2.884 0 N-CA-C 119.472 3.138 . . . . 0.0 119.472 161.152 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -56.74 -35.23 68.36 Favored 'General case' 1 N--CA 1.612 7.66 1 N-CA-C 123.418 4.599 . . . . 0.0 123.418 165.061 . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.16 76.63 Favored 'General case' 2 N--CA 1.546 4.351 0 CA-C-O 114.446 -2.692 . . . . 0.0 115.327 167.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -34.8 77.99 Favored 'General case' 1 CA--C 1.631 4.068 0 O-C-N 127.203 2.814 . . . . 0.0 116.303 171.686 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.262 0.6 OUTLIER -48.92 -54.25 16.26 Favored 'General case' 0 C--N 1.41 3.226 1 O-C-N 130.355 4.784 . . . . 0.0 117.106 163.109 . . . . . . . . 4 3 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.255 53.2 mt-30 -62.32 -61.93 6.71 Favored Pre-proline 2 CA--C 1.645 4.617 1 CA-C-O 111.026 -4.321 . . . . 0.0 106.652 179.843 . . . . . . . . 4 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -48.05 -42.82 31.84 Favored 'Trans proline' 0 C--O 1.178 -2.493 3 N-CA-C 124.915 4.929 . . . . 0.0 124.915 169.414 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.297 10.9 pt-20 . . . . . 1 C--O 1.306 4.045 2 O-C-N 111.102 -7.248 . . . . 0.0 120.154 179.637 . . . . . . . . 3 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.62 65.7 p-90 . . . . . 1 C--O 1.316 4.587 0 N-CA-C 118.11 2.633 . . . . 0.0 118.11 . . . . . . . . . 2 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.4 mp -91.83 -45.99 8.1 Favored 'General case' 1 CA--C 1.713 7.236 0 CA-C-O 123.022 1.392 . . . . 0.0 112.81 -162.429 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.1 tp -73.24 -25.58 21.66 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.296 0 CA-C-N 111.8 -2.455 . . . . 0.0 110.303 168.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 t -66.37 -65.39 0.68 Allowed 'General case' 0 N--CA 1.401 -2.89 0 N-CA-C 118.105 2.632 . . . . 0.0 118.105 171.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.252 6.5 pt-20 -33.79 -61.66 0.33 Allowed 'General case' 1 N--CA 1.621 8.123 0 N-CA-C 117.022 2.23 . . . . 0.0 117.022 -174.727 . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.61 -51.94 37.78 Favored Pre-proline 1 N--CA 1.553 4.706 0 O-C-N 119.433 -2.042 . . . . 0.0 116.0 177.479 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.353 60.6 Cg_endo -76.07 -62.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.526 3.416 0 N-CA-C 121.545 3.633 . . . . 0.0 121.545 -174.59 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.3 m -76.31 -46.06 29.48 Favored 'General case' 1 N--CA 1.579 6.02 1 O-C-N 113.63 -5.669 . . . . 0.0 111.55 -176.214 . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.33 81.3 m -56.67 -32.07 65.05 Favored 'General case' 0 N--CA 1.534 3.741 1 O-C-N 130.708 5.005 . . . . 0.0 117.574 175.591 . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.3 ttt-85 -71.21 -61.94 1.58 Allowed 'General case' 0 C--O 1.282 2.808 0 C-N-CA 127.949 2.499 . . . . 0.0 106.372 171.062 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -44.09 -39.92 4.56 Favored 'General case' 2 C--N 1.453 5.067 1 C-N-CA 109.011 -5.076 . . . . 0.0 121.604 163.091 . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER -58.48 -40.1 81.8 Favored 'General case' 0 C--O 1.266 1.97 0 N-CA-C 119.468 3.136 . . . . 0.0 119.468 171.364 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.2 m -48.24 -40.3 24.14 Favored 'General case' 1 N--CA 1.544 4.274 1 N-CA-C 122.785 4.365 . . . . 0.0 122.785 167.369 . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.39 -28.43 19.63 Favored 'General case' 1 N--CA 1.583 6.181 0 N-CA-C 120.641 3.571 . . . . 0.0 120.641 162.355 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.386 12.4 m170 -54.46 -32.26 57.28 Favored 'General case' 0 CA--C 1.599 2.836 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 166.49 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' CD1' ' HE2' ' A' ' 31' ' ' MET . 1.4 tt -52.19 -49.74 83.07 Favored Pre-proline 0 N--CA 1.53 3.562 0 CA-C-O 112.178 -3.772 . . . . 0.0 117.435 -170.227 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 1.468 ' HB2' ' CB ' ' A' ' 17' ' ' PRO . 8.1 Cg_exo -44.89 -38.32 13.05 Favored 'Trans proline' 0 C--N 1.403 3.433 1 CA-C-N 131.21 5.039 . . . . 0.0 114.828 162.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.484 0.3 OUTLIER -63.1 -54.5 36.92 Favored 'General case' 2 CA--C 1.677 5.834 0 CA-C-O 112.824 -3.465 . . . . 0.0 113.379 171.813 . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 69.25 64.75 0.28 Allowed 'General case' 0 CA--C 1.626 3.884 0 O-C-N 127.143 2.777 . . . . 0.0 113.277 170.256 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -129.96 -27.22 2.31 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 111.763 -3.97 . . . . 0.0 120.571 160.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.5 t -98.34 47.34 0.99 Allowed 'General case' 1 C--N 1.455 5.174 0 CA-C-N 124.65 3.386 . . . . 0.0 108.053 158.086 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER -54.09 -41.4 68.19 Favored 'General case' 2 CA--C 1.655 4.987 0 O-C-N 124.981 1.426 . . . . 0.0 113.05 172.235 . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.15 -35.81 19.92 Favored 'General case' 0 N--CA 1.491 1.576 1 N-CA-C 126.356 5.687 . . . . 0.0 126.356 171.637 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.78 104.33 0.71 Allowed Glycine 1 N--CA 1.521 4.343 0 N-CA-C 121.547 3.379 . . . . 0.0 121.547 176.832 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -79.39 -21.64 8.76 Favored 'Trans proline' 1 CA--C 1.616 4.621 0 N-CA-C 120.104 3.078 . . . . 0.0 120.104 171.209 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.276 0.3 OUTLIER -78.68 -50.75 10.91 Favored 'General case' 0 C--N 1.389 2.285 1 CA-C-O 108.106 -5.711 . . . . 0.0 115.654 172.115 . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.582 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 27.7 p -130.47 98.6 20.11 Favored Pre-proline 0 C--N 1.428 3.996 0 CA-C-N 125.132 3.606 . . . . 0.0 101.738 169.056 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 1.439 ' CB ' ' CG ' ' A' ' 28' ' ' PRO . 60.2 Cg_endo -83.75 145.48 11.51 Favored 'Trans proline' 2 C--N 1.44 5.362 0 N-CA-C 109.676 -0.932 . . . . 0.0 109.676 -170.185 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 49.46 30.24 3.29 Favored 'General case' 1 CA--C 1.642 4.511 0 CA-C-O 113.495 -3.145 . . . . 0.0 117.832 -167.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . 0.262 3.7 t -71.98 -18.44 61.99 Favored 'General case' 2 CA--C 1.683 6.074 1 N-CA-C 125.509 5.374 . . . . 0.0 125.509 163.331 . . . . . . . . 4 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.451 ' HE2' ' CD1' ' A' ' 16' ' ' LEU . 2.3 ttt -70.27 -55.12 10.01 Favored 'General case' 2 N--CA 1.592 6.647 0 CA-C-O 114.078 -2.868 . . . . 0.0 107.406 -178.758 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -45.1 -45.3 11.09 Favored 'General case' 1 N--CA 1.541 4.097 0 O-C-N 126.293 2.246 . . . . 0.0 116.491 -178.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.14 -26.79 65.06 Favored 'General case' 1 N--CA 1.555 4.776 1 N-CA-C 122.656 4.317 . . . . 0.0 122.656 173.978 . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' ' 38' ' ' GLU 0.329 60.1 m -47.96 -44.21 30.1 Favored 'General case' 1 CA--C 1.739 8.243 0 O-C-N 127.365 2.916 . . . . 0.0 109.007 171.745 . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.404 1.1 mt -64.21 -28.21 69.59 Favored 'General case' 0 C--N 1.383 2.035 0 CA-C-N 109.633 -3.439 . . . . 0.0 114.144 -170.7 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -66.0 -60.38 7.18 Favored Pre-proline 0 CA--C 1.607 3.168 1 CA-C-O 108.059 -5.734 . . . . 0.0 107.567 173.301 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -77.52 -26.57 7.06 Favored 'Trans proline' 0 CA--C 1.588 3.182 0 CA-C-N 124.975 2.812 . . . . 0.0 119.392 -175.05 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 34' ' ' THR 0.294 5.3 pt-20 . . . . . 0 CA--C 1.573 1.853 0 CA-C-N 119.52 1.055 . . . . 0.0 110.237 -171.791 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.574 68.7 p-90 . . . . . 0 N--CA 1.52 3.052 1 N-CA-C 122.353 4.205 . . . . 0.0 122.353 . . . . . . . . . 2 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.8 mp -83.3 -58.9 2.64 Favored 'General case' 1 CA--C 1.736 8.109 1 O-C-N 129.709 4.381 . . . . 0.0 113.547 -164.964 . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.32 5.7 tp -61.66 -24.37 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.2 0 CA-C-N 111.462 -2.608 . . . . 0.0 112.078 163.413 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.8 t -77.23 -54.15 6.85 Favored 'General case' 0 N--CA 1.528 3.452 0 O-C-N 118.076 -2.89 . . . . 0.0 117.713 175.224 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.306 2.4 pt-20 -43.94 -62.13 1.22 Allowed 'General case' 1 CA--C 1.63 4.058 0 C-N-CA 125.313 1.445 . . . . 0.0 113.785 -169.896 . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.414 2.2 tp10 -59.02 -57.86 23.91 Favored Pre-proline 1 CA--C 1.63 4.041 0 O-C-N 126.854 2.596 . . . . 0.0 112.09 178.543 . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.324 58.2 Cg_endo -76.61 -64.16 0.03 OUTLIER 'Trans proline' 1 N--CA 1.56 5.425 1 N-CA-C 122.589 4.034 . . . . 0.0 122.589 -174.212 . . . . . . . . 4 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.282 51.8 m -73.21 -38.93 65.91 Favored 'General case' 0 CA--C 1.598 2.79 1 O-C-N 115.19 -4.694 . . . . 0.0 114.804 -172.531 . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.287 81.1 m -66.68 -33.72 76.28 Favored 'General case' 1 C--N 1.453 5.085 0 C-N-CA 129.242 3.017 . . . . 0.0 110.989 -177.117 . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.8 ttt-85 -66.37 -53.45 35.9 Favored 'General case' 0 N--CA 1.518 2.929 0 O-C-N 126.099 2.125 . . . . 0.0 112.242 166.627 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -52.67 -45.96 67.0 Favored 'General case' 0 CA--C 1.586 2.338 0 CA-C-N 122.561 2.437 . . . . 0.0 106.099 166.393 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.43 0.0 OUTLIER -52.33 -48.13 65.64 Favored 'General case' 0 C--N 1.389 2.285 0 N-CA-C 119.934 3.309 . . . . 0.0 119.934 176.126 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.3 m -49.61 -34.71 18.76 Favored 'General case' 2 N--CA 1.613 7.724 0 O-C-N 117.609 -3.182 . . . . 0.0 115.295 175.813 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -59.37 -38.31 80.15 Favored 'General case' 2 CA--C 1.65 4.802 0 O-C-N 127.219 2.825 . . . . 0.0 110.72 172.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.467 ' HB3' HD12 ' A' ' 18' ' ' LEU 0.454 12.0 m170 -41.37 -28.25 0.11 Allowed 'General case' 1 CA--C 1.662 5.25 0 O-C-N 119.684 -1.885 . . . . 0.0 114.865 167.596 . . . . . . . . 4 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' CD1' ' HE2' ' A' ' 31' ' ' MET 0.264 1.4 tt -59.55 -55.61 44.15 Favored Pre-proline 1 N--CA 1.555 4.786 1 CA-C-O 108.523 -5.513 . . . . 0.0 113.372 -164.983 . . . . . . . . 5 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -47.1 -37.39 23.01 Favored 'Trans proline' 1 CA--C 1.626 5.111 1 CA-C-O 110.379 -4.092 . . . . 0.0 109.662 169.99 . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 15' ' ' HIS 0.597 3.9 pp -59.69 -54.35 47.39 Favored 'General case' 1 N--CA 1.572 5.635 1 N-CA-C 122.572 4.286 . . . . 0.0 122.572 167.375 . . . . . . . . 5 3 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.328 13.6 tt0 69.53 62.05 0.28 Allowed 'General case' 0 C--O 1.26 1.632 0 N-CA-C 118.863 2.912 . . . . 0.0 118.863 170.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.295 16.5 p90 -126.05 -36.22 2.37 Favored 'General case' 0 N--CA 1.527 3.398 1 N-CA-C 123.556 4.65 . . . . 0.0 123.556 166.502 . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.4 t -105.41 49.88 0.79 Allowed 'General case' 0 N--CA 1.534 3.733 0 CA-C-O 127.547 3.546 . . . . 0.0 107.976 164.211 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -39.85 88.96 Favored 'General case' 0 C--N 1.412 3.286 1 O-C-N 115.486 -4.509 . . . . 0.0 110.246 170.52 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.428 3.0 p -79.79 -53.12 7.09 Favored 'General case' 0 CA--C 1.607 3.157 0 N-CA-C 121.645 3.943 . . . . 0.0 121.645 170.751 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.32 110.08 2.92 Favored Glycine 1 CA--C 1.587 4.533 0 O-C-N 127.634 3.084 . . . . 0.0 115.4 176.481 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.251 82.1 Cg_endo -82.81 -31.76 0.7 Allowed 'Trans proline' 1 CA--C 1.613 4.428 0 CA-C-N 121.741 2.77 . . . . 0.0 119.113 168.982 . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.91 -69.05 0.39 Allowed 'General case' 0 C--N 1.287 -2.109 1 CA-C-O 109.814 -4.898 . . . . 0.0 105.627 175.927 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.504 ' O ' ' SG ' ' A' ' 27' ' ' CYS 0.254 32.1 p -107.92 91.84 8.26 Favored Pre-proline 2 N--CA 1.6 7.042 2 CA-C-O 107.689 -5.91 . . . . 0.0 106.799 173.543 . . . . . . . . 5 3 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -74.97 145.8 31.99 Favored 'Trans proline' 1 N--CA 1.564 5.676 0 CA-C-N 128.28 3.993 . . . . 0.0 109.324 -175.634 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 53.53 26.46 5.63 Favored 'General case' 1 CA--C 1.647 4.684 1 N-CA-C 121.831 4.012 . . . . 0.0 121.831 -174.391 . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.9 t -80.08 -14.15 58.74 Favored 'General case' 0 C--N 1.423 3.78 1 CA-C-O 110.25 -4.691 . . . . 0.0 116.778 171.811 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.441 ' HE2' ' CD1' ' A' ' 16' ' ' LEU . 1.6 ttt -77.29 -53.17 8.03 Favored 'General case' 1 CA--C 1.682 6.024 2 CA-C-N 134.66 7.936 . . . . 0.0 106.986 -173.187 . . . . . . . . 4 3 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -44.07 -44.87 7.75 Favored 'General case' 0 C--N 1.393 2.466 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.312 . . -59.34 -48.09 82.94 Favored 'General case' 1 N--CA 1.602 7.161 0 CA-C-O 112.184 -3.769 . . . . 0.0 113.138 174.9 . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -32.61 -49.55 0.22 Allowed 'General case' 1 CA--C 1.704 6.898 1 O-C-N 129.372 4.17 . . . . 0.0 114.214 169.652 . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.473 1.1 mt -60.33 -38.35 83.47 Favored 'General case' 0 CA--C 1.446 -3.041 0 C-N-CA 129.435 3.094 . . . . 0.0 114.922 -172.145 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.402 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 2.0 mt-30 -60.19 -63.27 4.46 Favored Pre-proline 1 N--CA 1.541 4.106 1 CA-C-O 108.372 -5.585 . . . . 0.0 112.145 170.362 . . . . . . . . 4 3 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' A' ' 36' ' ' GLN 0.291 18.5 Cg_endo -64.39 -35.66 48.81 Favored 'Trans proline' 0 C--O 1.306 3.877 2 C-N-CA 129.157 6.571 . . . . 0.0 121.259 178.547 . . . . . . . . 4 3 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.42 5.0 pt-20 . . . . . 0 C--N 1.413 3.332 0 O-C-N 126.901 2.626 . . . . 0.0 107.36 -167.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.416 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 53.3 p-90 . . . . . 0 C--O 1.257 1.486 1 CA-C-O 109.615 -4.993 . . . . 0.0 113.479 . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -54.23 -58.13 8.56 Favored 'General case' 1 CA--C 1.632 4.102 0 O-C-N 127.906 3.254 . . . . 0.0 111.522 -175.433 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.334 2.0 tp -54.17 -48.14 66.36 Favored 'Isoleucine or valine' 1 CA--C 1.68 5.956 0 CA-C-O 116.879 -1.534 . . . . 0.0 112.882 167.679 . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.279 7.2 t -62.7 -50.63 70.38 Favored 'General case' 0 C--N 1.383 2.041 2 O-C-N 135.26 7.85 . . . . 0.0 119.38 -169.141 . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.312 0.6 OUTLIER -41.69 -63.46 0.71 Allowed 'General case' 1 C--N 1.443 4.669 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -170.28 . . . . . . . . 4 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.293 12.4 tp10 -62.99 -53.04 58.79 Favored Pre-proline 1 N--CA 1.58 6.058 1 CA-C-O 110.326 -4.654 . . . . 0.0 109.55 -168.455 . . . . . . . . 4 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -70.09 -52.14 0.32 Allowed 'Trans proline' 1 N--CA 1.588 7.051 2 CA-C-N 131.533 5.155 . . . . 0.0 125.023 178.725 . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 m -73.1 -63.7 1.12 Allowed 'General case' 1 CA--C 1.7 6.741 1 O-C-N 115.696 -4.377 . . . . 0.0 112.452 -173.48 . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.422 80.7 m -45.38 -35.36 3.57 Favored 'General case' 1 C--O 1.329 5.278 0 O-C-N 128.482 3.614 . . . . 0.0 115.104 -176.657 . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.262 4.2 ttt180 -67.54 -52.97 32.58 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-O 115.005 -2.426 . . . . 0.0 107.665 175.613 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.604 62.6 m-20 -54.12 -49.96 67.97 Favored 'General case' 3 C--O 1.323 4.962 0 CA-C-O 111.763 -3.97 . . . . 0.0 113.202 166.163 . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.258 2.2 ptp180 -56.37 -37.71 70.44 Favored 'General case' 1 CA--C 1.634 4.178 0 O-C-N 129.072 3.983 . . . . 0.0 109.918 177.033 . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.399 4.9 m -40.89 -33.54 0.31 Allowed 'General case' 1 N--CA 1.54 4.031 0 N-CA-C 120.937 3.681 . . . . 0.0 120.937 167.629 . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.331 3.6 mpt_? -64.1 -27.45 69.1 Favored 'General case' 2 CA--C 1.665 5.399 0 O-C-N 116.994 -3.566 . . . . 0.0 111.558 171.636 . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -65.07 -34.3 78.09 Favored 'General case' 0 C--O 1.275 2.429 1 CA-C-O 111.065 -4.302 . . . . 0.0 109.524 165.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.313 5.7 tt -47.58 -42.4 43.25 Favored Pre-proline 0 N--CA 1.529 3.522 1 N-CA-C 121.824 4.009 . . . . 0.0 121.824 -165.927 . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -45.87 -45.33 17.32 Favored 'Trans proline' 1 N--CA 1.589 7.146 0 C-N-CA 124.716 3.611 . . . . 0.0 117.83 163.294 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 pp -71.01 -32.12 68.82 Favored 'General case' 2 N--CA 1.548 4.455 0 O-C-N 116.673 -3.767 . . . . 0.0 116.259 175.356 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.626 3.8 tt0 61.71 62.2 1.32 Allowed 'General case' 0 CA--C 1.601 2.906 1 O-C-N 114.332 -5.23 . . . . 0.0 116.221 169.995 . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.53 -42.31 1.65 Allowed 'General case' 1 C--O 1.315 4.528 0 O-C-N 125.193 1.558 . . . . 0.0 112.986 165.237 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.306 0.3 OUTLIER -108.13 65.6 0.64 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 118.005 -2.934 . . . . 0.0 108.754 172.222 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.653 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -72.45 -55.07 7.6 Favored 'General case' 0 CA--C 1.575 1.925 0 N-CA-C 118.772 2.879 . . . . 0.0 118.772 168.646 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 p -77.82 -26.66 49.65 Favored 'General case' 1 CA--C 1.669 5.525 0 CA-C-N 110.811 -2.904 . . . . 0.0 115.954 162.362 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.91 101.07 0.04 OUTLIER Glycine 1 CA--C 1.602 5.483 0 CA-C-O 118.984 -0.898 . . . . 0.0 115.041 172.468 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.357 7.2 Cg_endo -62.62 -5.34 6.98 Favored 'Trans proline' 0 C--N 1.379 2.15 2 CA-C-N 126.907 5.353 . . . . 0.0 125.236 -170.879 . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.278 1.1 mp -104.75 -35.5 7.75 Favored 'General case' 1 CA--C 1.673 5.708 0 CA-C-O 115.241 -2.314 . . . . 0.0 112.679 -178.817 . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.684 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 15.3 p -123.04 104.61 35.34 Favored Pre-proline 1 CA--C 1.737 8.154 0 CA-C-O 124.992 2.329 . . . . 0.0 104.75 169.274 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -92.42 90.29 0.19 Allowed 'Trans proline' 0 CA--C 1.591 3.348 1 CA-C-O 131.774 4.822 . . . . 0.0 110.651 -171.634 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 87.56 55.16 0.01 OUTLIER 'General case' 1 N--CA 1.543 4.213 1 CA-C-N 105.624 -5.262 . . . . 0.0 112.801 -175.083 . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.684 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.448 37.1 t -97.7 -11.53 23.38 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 119.492 3.145 . . . . 0.0 119.492 167.226 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.303 2.5 ttp -76.05 -14.55 60.21 Favored 'General case' 0 C--N 1.398 2.681 1 O-C-N 116.276 -4.015 . . . . 0.0 120.084 -178.02 . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.526 ' C ' ' CA ' ' A' ' 33' ' ' ALA . 4.1 pttt -79.04 -35.13 43.14 Favored 'General case' 0 C--N 1.381 1.967 0 C-N-CA 124.684 1.194 . . . . 0.0 111.958 174.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 1.551 ' N ' ' CA ' ' A' ' 33' ' ' ALA 0.376 . . -69.67 -36.79 76.33 Favored 'General case' 1 N--CA 1.694 11.757 0 O-C-N 118.75 -2.469 . . . . 0.0 108.669 174.052 . . . . . . . . 4 3 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 1.527 HG23 ' CG2' ' A' ' 34' ' ' THR . 1.8 m -43.36 -39.65 3.26 Favored 'General case' 0 C--O 1.188 -2.145 0 N-CA-C 120.817 3.636 . . . . 0.0 120.817 179.186 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mp -67.12 -39.38 86.63 Favored 'General case' 0 CA--C 1.612 3.363 1 CA-C-O 111.647 -4.025 . . . . 0.0 115.02 176.281 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.298 7.3 mt-30 -64.07 -64.56 2.72 Favored Pre-proline 0 CA--C 1.602 2.944 2 CA-C-O 109.083 -5.246 . . . . 0.0 110.652 -175.232 . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -74.42 -15.34 22.34 Favored 'Trans proline' 0 C--O 1.286 2.905 0 CA-C-N 126.383 3.315 . . . . 0.0 115.193 166.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.319 0.2 OUTLIER . . . . . 0 N--CA 1.523 3.197 2 CA-C-N 129.673 5.669 . . . . 0.0 113.085 168.496 . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.647 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 61.0 p-90 . . . . . 0 N--CA 1.494 1.746 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.365 1.4 mp -50.02 -48.01 52.82 Favored 'General case' 1 C--N 1.466 5.655 1 N-CA-C 121.848 4.018 . . . . 0.0 121.848 177.954 . . . . . . . . 4 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 tp -71.96 -35.84 55.59 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.983 0 C-N-CA 125.455 1.502 . . . . 0.0 112.165 165.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.274 13.2 t -67.53 -53.48 28.14 Favored 'General case' 0 C--N 1.424 3.817 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.996 -169.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.34 -67.91 0.18 Allowed 'General case' 2 C--N 1.497 6.986 0 CA-C-O 123.564 1.649 . . . . 0.0 114.107 -165.227 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.266 14.2 tp10 -55.35 -53.54 60.86 Favored Pre-proline 0 N--CA 1.531 3.587 0 CA-C-O 112.416 -3.659 . . . . 0.0 119.445 -172.264 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 1.503 ' CA ' ' C ' ' A' ' 7' ' ' PRO . 20.0 Cg_endo -71.67 -55.13 0.13 Allowed 'Trans proline' 2 CA--C 1.77 12.309 1 CA-C-N 133.226 5.759 . . . . 0.0 115.372 177.529 . . . . . . . . 4 3 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.452 ' N ' ' CA ' ' A' ' 7' ' ' PRO . 2.4 m -71.24 -57.14 4.77 Favored 'General case' 0 CA--C 1.609 3.227 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -171.596 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.286 77.8 m -55.71 -33.76 64.49 Favored 'General case' 0 CA--C 1.625 3.828 0 N-CA-C 118.825 2.898 . . . . 0.0 118.825 -174.875 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -55.09 -56.48 19.35 Favored 'General case' 0 CA--C 1.607 3.149 0 CA-C-O 113.603 -3.094 . . . . 0.0 109.922 166.481 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.452 75.3 m-20 -56.95 -45.04 83.09 Favored 'General case' 1 CA--C 1.648 4.726 0 CA-C-N 121.498 1.953 . . . . 0.0 113.768 171.878 . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.52 0.3 OUTLIER -54.79 -34.67 62.97 Favored 'General case' 0 CA--C 1.579 2.067 1 CA-C-O 110.915 -4.374 . . . . 0.0 111.663 170.353 . . . . . . . . 5 4 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.391 4.8 m -52.56 -31.51 36.33 Favored 'General case' 1 CA--C 1.65 4.81 0 CA-C-N 124.191 3.178 . . . . 0.0 116.932 170.815 . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.344 2.1 mpt_? -61.13 -32.22 71.92 Favored 'General case' 1 C--O 1.359 6.866 0 O-C-N 127.951 3.282 . . . . 0.0 113.426 168.35 . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 44.0 m170 -58.6 -23.71 59.34 Favored 'General case' 1 CA--C 1.664 5.33 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 169.145 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.541 4.8 tt -49.51 -51.54 57.82 Favored Pre-proline 0 N--CA 1.521 3.091 0 N-CA-C 117.423 2.379 . . . . 0.0 117.423 -166.118 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 1.565 ' CD ' ' CG ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -48.11 -38.79 33.05 Favored 'Trans proline' 1 N--CA 1.539 4.168 1 CA-C-O 108.808 -4.747 . . . . 0.0 115.807 164.302 . . . . . . . . 5 4 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 pp -74.37 -34.38 63.34 Favored 'General case' 1 N--CA 1.567 5.419 0 CA-C-N 123.889 3.04 . . . . 0.0 117.089 170.791 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.518 4.0 tt0 66.58 63.06 0.52 Allowed 'General case' 1 N--CA 1.561 5.105 0 C-N-CA 131.211 3.804 . . . . 0.0 115.208 168.295 . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -123.67 -37.44 2.63 Favored 'General case' 0 CA--C 1.628 3.961 1 O-C-N 114.93 -4.856 . . . . 0.0 115.904 161.941 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.51 61.59 0.67 Allowed 'General case' 1 CA--C 1.643 4.539 0 O-C-N 128.777 3.798 . . . . 0.0 112.571 173.392 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -52.69 37.48 Favored 'General case' 0 C--O 1.271 2.229 0 O-C-N 128.608 3.693 . . . . 0.0 118.996 167.747 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.362 54.2 p -90.77 -11.39 39.64 Favored 'General case' 0 CA--C 1.589 2.465 0 CA-C-O 125.083 2.373 . . . . 0.0 113.997 167.305 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.25 95.16 0.01 OUTLIER Glycine 3 CA--C 1.625 6.943 2 O-C-N 113.289 -5.882 . . . . 0.0 117.364 173.137 . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.555 10.0 Cg_endo -45.91 -16.94 0.23 Allowed 'Trans proline' 0 CA--C 1.589 3.251 1 N-CA-C 125.558 5.176 . . . . 0.0 125.558 -176.149 . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.97 -44.44 8.06 Favored 'General case' 0 C--N 1.264 -3.124 0 N-CA-C 119.127 3.01 . . . . 0.0 119.127 177.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.566 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 12.2 p -117.54 91.94 39.42 Favored Pre-proline 2 CA--C 1.68 5.953 0 C-N-CA 128.737 2.815 . . . . 0.0 111.578 171.261 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.93 92.1 1.16 Allowed 'Trans proline' 2 N--CA 1.546 4.61 0 C-N-CA 123.156 2.57 . . . . 0.0 112.168 -169.72 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.362 . . 81.88 50.75 0.02 OUTLIER 'General case' 0 CA--C 1.602 2.943 0 N-CA-C 118.799 2.888 . . . . 0.0 118.799 -170.399 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.647 ' SG ' ' HB2' ' A' ' 1' ' ' TRP . 47.0 t -100.44 -16.6 17.52 Favored 'General case' 1 CA--C 1.662 5.258 0 CA-C-O 116.273 -1.822 . . . . 0.0 112.436 177.354 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ttp -73.39 -16.1 61.34 Favored 'General case' 0 N--CA 1.5 2.03 1 N-CA-C 124.044 4.831 . . . . 0.0 124.044 179.75 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -82.78 -35.49 26.46 Favored 'General case' 0 C--N 1.257 -3.439 0 CA-C-N 112.418 -2.173 . . . . 0.0 113.953 177.244 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.4 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.321 . . -67.64 -35.63 79.27 Favored 'General case' 1 C--N 1.47 5.834 0 CA-C-O 116.335 -1.793 . . . . 0.0 114.199 168.697 . . . . . . . . 4 3 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 m -42.47 -40.33 2.55 Favored 'General case' 0 N--CA 1.526 3.368 0 CA-C-O 115.469 -2.205 . . . . 0.0 116.48 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mp -69.46 -37.45 77.31 Favored 'General case' 0 C--N 1.267 -3.018 0 CA-C-O 114.547 -2.644 . . . . 0.0 113.946 179.272 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -73.39 -56.33 3.2 Favored Pre-proline 0 CA--C 1.596 2.732 0 CA-C-O 113.109 -3.329 . . . . 0.0 108.084 -171.814 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -74.0 -18.7 21.21 Favored 'Trans proline' 1 CA--C 1.619 4.726 1 CA-C-O 110.184 -4.173 . . . . 0.0 118.856 167.701 . . . . . . . . 5 4 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 2 CA--C 1.648 4.725 0 O-C-N 126.964 2.665 . . . . 0.0 114.986 168.164 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 1.615 ' CG ' ' CB ' ' A' ' 1' ' ' TRP . 49.2 p-90 . . . . . 0 CA--C 1.614 3.424 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.271 6.8 mp -44.62 -51.0 9.49 Favored 'General case' 0 N--CA 1.533 3.713 0 N-CA-C 120.619 3.563 . . . . 0.0 120.619 176.299 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 tp -78.65 -29.84 14.78 Favored 'Isoleucine or valine' 0 C--O 1.158 -3.728 0 C-N-CA 117.475 -1.69 . . . . 0.0 114.086 161.817 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.8 t -63.88 -63.15 1.24 Allowed 'General case' 2 N--CA 1.595 6.777 2 CA-C-O 111.166 -4.254 . . . . 0.0 107.737 -172.248 . . . . . . . . 3 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.449 ' HB2' ' HG1' ' A' ' 34' ' ' THR 0.31 1.7 pt-20 -33.35 -66.71 0.14 Allowed 'General case' 0 N--CA 1.538 3.967 0 O-C-N 128.485 3.616 . . . . 0.0 118.47 -167.645 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.363 16.1 tp10 -55.95 -51.87 77.03 Favored Pre-proline 0 C--N 1.273 -2.748 1 N-CA-C 126.815 5.857 . . . . 0.0 126.815 -177.187 . . . . . . . . 3 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 1.515 ' CA ' ' C ' ' A' ' 7' ' ' PRO . 36.5 Cg_endo -72.65 -49.85 0.25 Allowed 'Trans proline' 1 CA--C 1.769 12.258 0 CA-C-N 124.82 2.757 . . . . 0.0 118.121 169.597 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -45.95 17.26 Favored 'General case' 0 CA--C 1.478 -1.796 2 N-CA-C 123.011 4.448 . . . . 0.0 123.011 -174.577 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.9 m -68.64 -33.02 73.29 Favored 'General case' 1 C--O 1.325 5.066 0 O-C-N 116.345 -3.972 . . . . 0.0 116.07 -179.86 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.349 2.6 ttt180 -57.8 -47.97 81.05 Favored 'General case' 1 N--CA 1.557 4.876 2 O-C-N 115.967 -4.208 . . . . 0.0 115.758 160.897 . . . . . . . . 4 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -66.26 -25.14 66.75 Favored 'General case' 0 N--CA 1.512 2.664 1 CA-C-N 126.492 4.224 . . . . 0.0 113.831 170.846 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.445 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.552 0.2 OUTLIER -62.56 -35.97 81.17 Favored 'General case' 1 N--CA 1.583 6.175 1 O-C-N 114.374 -5.204 . . . . 0.0 112.924 164.94 . . . . . . . . 6 4 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -55.42 -33.17 63.31 Favored 'General case' 0 C--N 1.415 3.437 0 O-C-N 116.924 -3.61 . . . . 0.0 117.743 172.605 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.297 2.1 mpt_? -52.19 -34.56 45.86 Favored 'General case' 1 CA--C 1.63 4.035 0 O-C-N 128.877 3.861 . . . . 0.0 118.934 165.657 . . . . . . . . 3 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.273 53.0 m170 -50.33 -34.97 25.61 Favored 'General case' 1 CA--C 1.666 5.427 1 CA-C-N 105.301 -5.409 . . . . 0.0 118.708 167.736 . . . . . . . . 5 3 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.401 3.9 tt -50.64 -53.02 50.82 Favored Pre-proline 1 N--CA 1.595 6.798 2 O-C-N 115.077 -4.764 . . . . 0.0 106.612 -155.796 . . . . . . . . 4 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -47.55 -45.89 22.03 Favored 'Trans proline' 2 N--CA 1.38 -5.163 2 C-N-CA 127.386 5.391 . . . . 0.0 113.503 164.714 . . . . . . . . 3 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.506 1.7 pp -57.33 -47.53 81.32 Favored 'General case' 0 CA--C 1.608 3.189 2 CA-C-N 128.195 4.998 . . . . 0.0 122.028 170.103 . . . . . . . . 3 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.356 6.3 tt0 70.52 56.81 0.26 Allowed 'General case' 0 C--N 1.415 3.425 0 N-CA-C 119.795 3.257 . . . . 0.0 119.795 172.363 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -123.71 -32.34 3.33 Favored 'General case' 2 N--CA 1.616 7.858 1 O-C-N 116.223 -4.048 . . . . 0.0 111.446 168.669 . . . . . . . . 3 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.305 0.2 OUTLIER -116.34 48.65 1.23 Allowed 'General case' 0 CA--C 1.572 1.818 0 CA-C-O 126.988 3.28 . . . . 0.0 118.236 177.804 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.491 0.0 OUTLIER -58.07 -67.41 0.35 Allowed 'General case' 0 C--N 1.393 2.462 1 C-N-CA 133.126 4.57 . . . . 0.0 112.284 171.868 . . . . . . . . 4 3 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 52.8 p -84.19 -9.19 58.75 Favored 'General case' 1 CA--C 1.636 4.257 1 O-C-N 129.607 4.317 . . . . 0.0 111.1 173.684 . . . . . . . . 3 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.67 97.48 0.01 OUTLIER Glycine 2 N--CA 1.6 9.608 1 CA-C-O 113.208 -4.107 . . . . 0.0 120.059 -177.571 . . . . . . . . 3 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.323 1.7 Cg_endo -48.15 -15.96 0.53 Allowed 'Trans proline' 2 N--CA 1.572 6.119 0 CA-C-N 123.761 3.781 . . . . 0.0 118.577 -179.208 . . . . . . . . 3 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.53 -35.78 9.41 Favored 'General case' 1 C--N 1.429 4.053 0 O-C-N 118.167 -2.833 . . . . 0.0 117.279 -176.466 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 16.1 p -123.09 88.01 51.07 Favored Pre-proline 1 C--N 1.443 4.651 0 O-C-N 120.002 -1.686 . . . . 0.0 112.578 171.263 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -68.01 93.9 0.4 Allowed 'Trans proline' 2 C--N 1.511 9.103 1 C-N-CA 126.356 4.704 . . . . 0.0 116.829 -170.412 . . . . . . . . 3 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.371 . . 76.74 58.96 0.04 OUTLIER 'General case' 1 CA--C 1.652 4.903 1 O-C-N 129.767 4.417 . . . . 0.0 115.932 -169.696 . . . . . . . . 4 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.719 ' SG ' ' HB2' ' A' ' 1' ' ' TRP . 53.8 t -110.31 -14.72 14.1 Favored 'General case' 0 CA--C 1.62 3.638 0 O-C-N 119.289 -2.132 . . . . 0.0 111.996 176.724 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ttp -73.75 -16.96 61.16 Favored 'General case' 0 CA--C 1.607 3.168 0 N-CA-C 121.456 3.873 . . . . 0.0 121.456 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -86.39 -27.24 24.33 Favored 'General case' 0 CA--C 1.619 3.601 1 CA-C-O 110.621 -4.514 . . . . 0.0 119.613 171.72 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.338 . . -69.62 -34.74 74.51 Favored 'General case' 0 C--O 1.209 -1.032 1 O-C-N 131.33 5.394 . . . . 0.0 115.898 165.688 . . . . . . . . 3 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.449 ' HG1' ' HB2' ' A' ' 5' ' ' GLU 0.288 17.2 m -48.92 -37.97 21.45 Favored 'General case' 0 CA--C 1.618 3.567 0 N-CA-C 121.309 3.818 . . . . 0.0 121.309 -176.446 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.296 4.6 mp -58.36 -49.19 78.11 Favored 'General case' 1 C--N 1.432 4.164 0 CA-C-N 111.964 -2.38 . . . . 0.0 113.254 174.211 . . . . . . . . 3 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -65.24 -56.45 19.79 Favored Pre-proline 1 C--N 1.444 4.694 0 C-N-CA 114.678 -2.809 . . . . 0.0 112.236 -168.679 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.452 6.3 Cg_exo -64.11 -30.47 65.56 Favored 'Trans proline' 1 C--N 1.428 4.741 1 CA-C-O 108.853 -4.728 . . . . 0.0 115.819 171.72 . . . . . . . . 4 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.292 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.841 1 CA-C-N 128.719 5.236 . . . . 0.0 113.12 171.347 . . . . . . . . 3 2 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.572 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 61.4 p-90 . . . . . 1 N--CA 1.547 4.423 0 N-CA-C 119.211 3.041 . . . . 0.0 119.211 . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 mp -51.56 -41.39 61.09 Favored 'General case' 0 C--N 1.385 2.134 1 O-C-N 133.389 6.681 . . . . 0.0 116.832 177.326 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.553 1.2 tp -75.53 -35.49 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.094 0 O-C-N 119.967 -1.708 . . . . 0.0 113.294 162.438 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.0 t -63.38 -69.05 0.29 Allowed 'General case' 2 N--CA 1.583 6.2 0 CA-C-O 115.07 -2.395 . . . . 0.0 108.582 -164.117 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.634 ' HG3' ' H ' ' A' ' 6' ' ' GLU 0.354 0.6 OUTLIER -21.44 -79.58 0.01 OUTLIER 'General case' 1 CA--C 1.698 6.651 0 CA-C-O 112.096 -3.811 . . . . 0.0 114.702 -172.783 . . . . . . . . 5 4 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.634 ' H ' ' HG3' ' A' ' 5' ' ' GLU . 12.5 tp10 -54.91 -41.09 88.58 Favored Pre-proline 0 CA--C 1.612 3.336 2 O-C-N 130.764 5.04 . . . . 0.0 123.25 -164.163 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.35 -62.92 0.03 OUTLIER 'Trans proline' 1 N--CA 1.54 4.252 0 C-N-CA 123.659 2.906 . . . . 0.0 113.384 172.497 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.324 1.6 m -70.58 -45.44 65.37 Favored 'General case' 2 C--N 1.448 4.88 0 N-CA-C 120.464 3.505 . . . . 0.0 120.464 -164.613 . . . . . . . . 3 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.437 45.0 m -72.31 -36.81 68.99 Favored 'General case' 1 N--CA 1.591 6.608 2 O-C-N 131.845 5.716 . . . . 0.0 110.514 -166.181 . . . . . . . . 4 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.392 3.9 ttt180 -65.37 -36.28 83.5 Favored 'General case' 0 C--N 1.428 3.99 0 N-CA-C 118.192 2.664 . . . . 0.0 118.192 174.475 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -70.23 -34.21 72.58 Favored 'General case' 0 C--O 1.169 -3.146 0 CA-C-O 115.176 -2.345 . . . . 0.0 112.3 165.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.3 0.1 OUTLIER -60.98 -30.19 70.12 Favored 'General case' 0 CA--C 1.44 -3.267 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 162.326 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.334 54.9 m -50.68 -45.85 58.4 Favored 'General case' 2 N--CA 1.552 4.635 0 CA-C-O 126.776 3.179 . . . . 0.0 109.833 178.239 . . . . . . . . 3 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -52.12 -31.94 33.15 Favored 'General case' 1 N--CA 1.542 4.128 1 CA-C-O 109.082 -5.247 . . . . 0.0 109.909 169.412 . . . . . . . . 3 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.334 2.9 m170 -55.92 -29.86 60.74 Favored 'General case' 0 C--O 1.153 -3.981 1 CA-C-N 129.759 5.709 . . . . 0.0 116.04 168.687 . . . . . . . . 3 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -51.01 -52.06 61.74 Favored Pre-proline 1 CA--C 1.635 4.213 1 CA-C-O 108.219 -5.658 . . . . 0.0 109.527 -167.333 . . . . . . . . 3 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 1.477 ' CD ' ' CG ' ' A' ' 17' ' ' PRO 0.377 41.7 Cg_exo -42.63 -36.1 4.55 Favored 'Trans proline' 0 CA--C 1.579 2.733 1 CA-C-N 128.599 4.107 . . . . 0.0 121.744 165.655 . . . . . . . . 4 3 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.598 HD21 ' CZ ' ' A' ' 20' ' ' PHE 0.449 2.0 pp -74.47 -50.33 18.72 Favored 'General case' 1 N--CA 1.56 5.057 0 O-C-N 119.492 -2.005 . . . . 0.0 109.67 -176.392 . . . . . . . . 4 3 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 72.17 57.35 0.15 Allowed 'General case' 0 C--O 1.205 -1.276 1 N-CA-C 126.819 5.859 . . . . 0.0 126.819 172.755 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 2.3 p90 -127.71 -34.32 2.2 Favored 'General case' 0 N--CA 1.53 3.528 0 CA-C-N 112.574 -2.103 . . . . 0.0 112.438 171.347 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.41 65.0 0.83 Allowed 'General case' 0 C--N 1.384 2.099 0 CA-C-O 124.99 2.329 . . . . 0.0 107.162 174.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.553 ' H ' ' HD3' ' A' ' 22' ' ' ARG 0.251 0.0 OUTLIER -68.14 -51.61 44.11 Favored 'General case' 0 C--O 1.289 3.136 1 C-N-CA 132.336 4.255 . . . . 0.0 113.183 165.17 . . . . . . . . 5 4 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.3 p -100.6 5.52 43.94 Favored 'General case' 0 CA--C 1.619 3.602 0 CA-C-N 109.415 -3.538 . . . . 0.0 114.899 179.192 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 30.95 96.92 0.01 OUTLIER Glycine 1 N--CA 1.663 13.773 0 O-C-N 127.432 2.958 . . . . 0.0 120.383 -169.829 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.38 4.0 Cg_exo -29.68 -19.64 0.01 OUTLIER 'Trans proline' 1 N--CA 1.611 8.419 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 172.483 . . . . . . . . 3 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.17 -44.86 7.44 Favored 'General case' 0 CA--C 1.454 -2.73 0 N-CA-C 119.549 3.166 . . . . 0.0 119.549 -179.212 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 26.1 p -120.04 104.3 44.11 Favored Pre-proline 0 C--N 1.251 -3.679 2 O-C-N 110.118 -7.864 . . . . 0.0 103.03 174.016 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -85.25 99.96 0.69 Allowed 'Trans proline' 2 CA--C 1.636 5.613 3 C-N-CA 128.571 6.18 . . . . 0.0 108.608 -164.853 . . . . . . . . 3 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.534 . . 77.11 59.21 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 124.337 3.244 . . . . 0.0 111.425 -175.702 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' A' ' 1' ' ' TRP . 53.5 t -112.11 -27.78 8.24 Favored 'General case' 0 CA--C 1.606 3.122 0 CA-C-N 111.081 -2.781 . . . . 0.0 114.061 167.243 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.5 ttp -52.34 -16.79 0.93 Allowed 'General case' 1 C--N 1.432 4.16 0 N-CA-C 119.497 3.147 . . . . 0.0 119.497 173.847 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -93.03 -32.8 14.36 Favored 'General case' 1 CA--C 1.689 6.323 0 O-C-N 117.765 -3.084 . . . . 0.0 109.627 -170.218 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.46 ' O ' ' HD2' ' A' ' 37' ' ' PRO . . . -56.77 -34.75 67.92 Favored 'General case' 0 N--CA 1.529 3.492 1 CA-C-O 110.463 -4.589 . . . . 0.0 114.011 160.829 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.5 m -50.49 -36.47 33.94 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 124.717 3.417 . . . . 0.0 111.468 -171.782 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.331 5.2 mp -65.78 -53.45 40.26 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 174.398 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.255 33.6 mt-30 -58.14 -53.95 60.68 Favored Pre-proline 1 N--CA 1.545 4.286 1 O-C-N 111.602 -6.936 . . . . 0.0 115.39 178.274 . . . . . . . . 4 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.343 7.7 Cg_exo -57.64 -36.92 98.37 Favored 'Trans proline' 1 N--CA 1.563 5.559 0 C-N-CA 124.791 3.661 . . . . 0.0 115.226 172.303 . . . . . . . . 4 3 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.383 0.0 OUTLIER . . . . . 1 C--N 1.506 7.374 0 O-C-N 127.355 2.909 . . . . 0.0 116.686 -178.814 . . . . . . . . 3 2 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.408 ' H3 ' HD12 ' A' ' 2' ' ' LEU . 33.7 p-90 . . . . . 0 N--CA 1.521 3.082 0 CA-C-O 127.608 3.575 . . . . 0.0 120.421 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.408 HD12 ' H3 ' ' A' ' 1' ' ' TRP 0.278 1.9 mp -65.28 -47.89 75.09 Favored 'General case' 1 N--CA 1.59 6.531 0 O-C-N 118.759 -2.463 . . . . 0.0 112.573 -164.744 . . . . . . . . 4 3 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.443 3.6 tp -89.55 -12.47 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.61 1 O-C-N 132.634 6.209 . . . . 0.0 109.785 -179.647 . . . . . . . . 3 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.405 6.2 t -66.56 -62.86 1.24 Allowed 'General case' 1 N--CA 1.547 4.399 0 C-N-CA 127.977 2.511 . . . . 0.0 113.262 165.603 . . . . . . . . 3 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.461 ' OE1' ' HG2' ' A' ' 37' ' ' PRO 0.337 1.1 pt-20 -29.14 -66.53 0.09 Allowed 'General case' 0 C--N 1.276 -2.627 1 O-C-N 132.15 5.906 . . . . 0.0 121.733 -172.393 . . . . . . . . 4 3 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.596 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 15.3 tp10 -69.37 -61.37 3.3 Favored Pre-proline 1 CA--C 1.69 6.358 2 N-CA-C 125.078 5.214 . . . . 0.0 125.078 -168.024 . . . . . . . . 4 3 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.596 ' HD3' ' HB3' ' A' ' 6' ' ' GLU . 95.3 Cg_endo -72.11 -40.36 2.53 Favored 'Trans proline' 0 CA--C 1.486 -1.894 0 C-N-CA 124.536 3.491 . . . . 0.0 118.543 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.6 m -73.67 -46.21 47.88 Favored 'General case' 1 C--N 1.443 4.642 0 N-CA-C 117.055 2.242 . . . . 0.0 117.055 175.59 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.428 29.7 m -72.56 -40.89 66.3 Favored 'General case' 0 CA--C 1.623 3.776 0 CA-C-N 109.331 -3.577 . . . . 0.0 114.148 -170.518 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.22 -40.79 74.62 Favored 'General case' 1 CA--C 1.636 4.256 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 165.631 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -64.52 -39.87 94.57 Favored 'General case' 1 N--CA 1.55 4.553 0 CA-C-N 124.361 3.255 . . . . 0.0 105.99 168.063 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.587 ' HB2' HH11 ' A' ' 12' ' ' ARG 0.526 0.3 OUTLIER -49.24 -30.24 6.86 Favored 'General case' 1 C--N 1.473 5.951 0 N-CA-C 121.602 3.927 . . . . 0.0 121.602 164.762 . . . . . . . . 5 4 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.432 28.6 m -56.24 -35.17 67.08 Favored 'General case' 0 C--N 1.414 3.382 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 179.075 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.21 -32.63 56.27 Favored 'General case' 0 C--N 1.391 2.392 0 CA-C-N 111.738 -2.483 . . . . 0.0 116.615 165.285 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.584 ' HD1' ' HG ' ' A' ' 21' ' ' SER 0.418 0.5 OUTLIER -49.48 -26.84 3.69 Favored 'General case' 1 N--CA 1.541 4.103 0 N-CA-C 118.824 2.898 . . . . 0.0 118.824 159.089 . . . . . . . . 5 4 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -40.73 86.62 Favored Pre-proline 1 N--CA 1.541 4.122 2 CA-C-O 108.937 -5.316 . . . . 0.0 113.435 -173.437 . . . . . . . . 4 3 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.436 6.1 Cg_exo -53.13 -52.34 8.99 Favored 'Trans proline' 0 CA--C 1.587 3.171 2 C-N-CA 129.896 7.064 . . . . 0.0 118.713 172.469 . . . . . . . . 3 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.353 4.1 pp -67.64 -30.36 69.9 Favored 'General case' 1 N--CA 1.586 6.368 1 CA-C-N 104.209 -5.905 . . . . 0.0 118.632 -173.936 . . . . . . . . 4 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 1.416 ' NE2' HE21 ' A' ' 19' ' ' GLN 0.278 7.1 tt0 62.26 58.35 1.79 Allowed 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 123.428 1.585 . . . . 0.0 114.445 172.827 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.498 0.8 OUTLIER -145.36 -29.79 0.43 Allowed 'General case' 1 N--CA 1.547 4.376 0 N-CA-C 117.699 2.481 . . . . 0.0 117.699 170.878 . . . . . . . . 4 3 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.584 ' HG ' ' HD1' ' A' ' 15' ' ' HIS 0.381 6.6 t -126.64 80.85 1.96 Allowed 'General case' 0 N--CA 1.496 1.874 1 N-CA-C 99.297 -4.334 . . . . 0.0 99.297 161.137 . . . . . . . . 4 3 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.536 ' H ' ' HD3' ' A' ' 22' ' ' ARG 0.362 0.0 OUTLIER -88.12 -51.73 5.63 Favored 'General case' 1 N--CA 1.623 8.222 0 CA-C-N 111.832 -2.44 . . . . 0.0 116.36 164.072 . . . . . . . . 5 4 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 p -74.94 -59.93 2.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 118.064 -2.897 . . . . 0.0 112.292 160.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.08 117.48 4.3 Favored Glycine 1 CA--C 1.661 9.201 0 CA-C-O 113.684 -3.842 . . . . 0.0 112.996 -168.504 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -77.48 4.95 5.51 Favored 'Trans proline' 0 C--N 1.382 2.328 0 CA-C-N 122.35 3.075 . . . . 0.0 116.172 170.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.49 2.5 mp -84.43 -74.78 0.37 Allowed 'General case' 1 N--CA 1.609 7.478 0 CA-C-O 114.441 -2.695 . . . . 0.0 108.058 166.559 . . . . . . . . 3 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.886 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 28.4 p -89.96 109.34 32.11 Favored Pre-proline 0 CA--C 1.567 1.631 0 C-N-CA 130.347 3.459 . . . . 0.0 107.38 169.185 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -67.21 114.18 3.13 Favored 'Trans proline' 1 CA--C 1.663 6.945 0 CA-C-N 121.583 1.601 . . . . 0.0 113.682 166.41 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.24 72.2 0.54 Allowed 'General case' 1 N--CA 1.574 5.761 2 O-C-N 135.206 7.816 . . . . 0.0 121.44 178.483 . . . . . . . . 3 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.886 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.343 44.3 t -115.11 -7.62 12.46 Favored 'General case' 0 CA--C 1.628 3.978 0 C-N-CA 125.219 1.407 . . . . 0.0 113.048 -166.903 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.365 33.5 ttp -87.1 -30.85 20.8 Favored 'General case' 1 CA--C 1.634 4.196 0 CA-C-O 111.773 -3.965 . . . . 0.0 116.852 -161.21 . . . . . . . . 3 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -70.16 -33.06 71.31 Favored 'General case' 0 CA--C 1.611 3.324 0 O-C-N 126.639 2.462 . . . . 0.0 114.619 -169.58 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.305 . . -67.8 -40.18 83.9 Favored 'General case' 1 N--CA 1.594 6.737 0 C-N-CA 131.143 3.777 . . . . 0.0 119.732 173.274 . . . . . . . . 3 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.257 26.9 m -39.56 -59.88 1.04 Allowed 'General case' 1 CA--C 1.71 7.097 0 C-N-CA 128.006 2.522 . . . . 0.0 107.452 160.472 . . . . . . . . 3 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mp -47.63 -40.7 20.27 Favored 'General case' 2 CA--C 1.702 6.798 1 CA-C-O 109.72 -4.943 . . . . 0.0 110.039 178.549 . . . . . . . . 3 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.358 4.6 mt-30 -65.83 -65.64 1.71 Allowed Pre-proline 2 N--CA 1.615 7.8 1 CA-C-O 111.668 -4.015 . . . . 0.0 106.467 170.394 . . . . . . . . 4 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HG2' ' OE1' ' A' ' 5' ' ' GLU 0.515 2.1 Cg_endo -58.0 -17.56 31.57 Favored 'Trans proline' 1 CA--C 1.604 4.015 1 CA-C-N 130.2 4.678 . . . . 0.0 116.655 -175.584 . . . . . . . . 5 3 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.351 1.7 pp20? . . . . . 2 CA--C 1.651 4.848 1 O-C-N 113.596 -5.69 . . . . 0.0 112.199 170.153 . . . . . . . . 3 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.379 6.0 p-90 . . . . . 0 N--CA 1.494 1.755 0 N-CA-C 119.143 3.016 . . . . 0.0 119.143 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mp -54.34 -44.5 72.18 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 167.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.279 6.6 tp -54.85 -36.75 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 163.35 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -61.17 -67.53 0.4 Allowed 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 116.998 -1.477 . . . . 0.0 111.625 167.466 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.286 3.7 pt-20 -51.24 -62.86 1.36 Allowed 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.669 1.577 . . . . 0.0 114.143 -170.236 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.27 8.1 tp10 -68.47 -68.19 0.66 Allowed Pre-proline 0 CA--C 1.576 1.971 0 CA-C-O 113.884 -2.96 . . . . 0.0 113.579 -177.535 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.266 10.6 Cg_endo -71.23 -57.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.375 1.953 0 CA-C-N 127.488 3.71 . . . . 0.0 115.344 -177.179 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.276 15.8 m -73.62 -38.44 65.07 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 120.294 3.442 . . . . 0.0 120.294 -174.554 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -72.06 -30.28 64.98 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -62.92 -39.46 94.61 Favored 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 165.368 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -63.69 -29.22 70.47 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 164.12 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.46 1.3 ptp180 -66.89 -28.73 68.56 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 120.766 1.621 . . . . 0.0 114.786 165.194 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.303 7.1 m -60.18 -28.2 67.75 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 159.844 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.328 1.4 mpt_? -65.19 -24.64 67.43 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 163.429 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -67.31 -27.57 67.27 Favored 'General case' 0 CA--C 1.58 2.119 0 CA-C-N 119.048 0.84 . . . . 0.0 111.207 162.32 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.259 6.2 tt -65.48 -36.83 16.04 Favored Pre-proline 0 N--CA 1.499 1.99 0 CA-C-O 115.663 -2.113 . . . . 0.0 112.708 -175.785 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -48.17 -32.27 18.63 Favored 'Trans proline' 0 CA--C 1.578 2.704 0 CA-C-N 125.302 2.929 . . . . 0.0 116.531 160.457 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -87.89 -46.04 9.75 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 167.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.343 13.2 tt0 66.77 19.09 10.74 Favored 'General case' 0 CA--C 1.578 2.053 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 174.665 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.307 29.6 p90 -83.25 -36.02 24.89 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 119.918 -1.739 . . . . 0.0 113.727 165.388 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.2 t -86.34 45.55 1.25 Allowed 'General case' 0 CA--C 1.58 2.104 0 O-C-N 120.701 -1.25 . . . . 0.0 113.809 166.005 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -46.14 79.86 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 169.02 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -67.24 -54.44 20.92 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 110.784 -2.916 . . . . 0.0 113.616 166.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.86 78.16 0.12 Allowed Glycine 0 CA--C 1.559 2.782 0 CA-C-O 116.029 -2.539 . . . . 0.0 119.325 169.475 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -68.26 69.41 0.97 Allowed 'Trans proline' 0 CA--C 1.575 2.568 0 CA-C-N 123.35 3.575 . . . . 0.0 118.786 -175.348 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -126.44 -52.41 1.49 Allowed 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 124.376 1.07 . . . . 0.0 112.409 -176.426 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 7.0 p -137.04 144.14 45.06 Favored Pre-proline 0 CA--C 1.58 2.133 0 CA-C-N 119.572 1.078 . . . . 0.0 113.333 -176.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -76.11 98.59 1.21 Allowed 'Trans proline' 0 CA--C 1.569 2.259 0 C-N-CA 122.631 2.221 . . . . 0.0 115.099 -174.446 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.31 47.53 18.96 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -179.718 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.54 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 48.7 t -99.62 -10.45 21.99 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 -169.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -74.12 -37.77 64.01 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 170.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -58.56 -36.86 74.59 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 169.065 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.1 -41.75 75.72 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 167.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.2 m -49.43 -36.71 23.17 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 165.758 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.418 0.9 OUTLIER -72.56 -26.02 61.57 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 168.56 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.8 -45.48 79.91 Favored Pre-proline 0 CA--C 1.59 2.502 0 CA-C-N 121.264 1.847 . . . . 0.0 110.469 161.544 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -72.95 -49.03 0.25 Allowed 'Trans proline' 0 CA--C 1.578 2.715 0 CA-C-N 123.459 2.271 . . . . 0.0 117.191 160.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 N--CA 1.49 1.531 0 CA-C-N 122.956 2.616 . . . . 0.0 112.825 -175.238 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 116.998 -1.477 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.286 3.7 pt-20 -51.24 -62.86 1.36 Allowed 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.669 1.577 . . . . 0.0 114.143 -170.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.27 8.0 tp10 -68.47 -68.19 0.66 Allowed Pre-proline 0 CA--C 1.576 1.971 0 CA-C-O 113.884 -2.96 . . . . 0.0 113.579 -177.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.266 10.6 Cg_endo -71.23 -57.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.375 1.953 0 CA-C-N 127.488 3.71 . . . . 0.0 115.344 -177.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.276 15.8 m -73.62 -38.44 65.07 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 120.294 3.442 . . . . 0.0 120.294 -174.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -72.06 -30.28 64.98 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -62.92 -39.46 94.61 Favored 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 165.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -63.69 -29.22 70.47 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 164.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.46 1.3 ptp180 -66.89 -28.73 68.56 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 120.766 1.621 . . . . 0.0 114.786 165.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.303 7.1 m -60.18 -28.2 67.75 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 159.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.328 1.4 mpt_? -65.19 -24.64 67.43 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 163.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -67.31 -27.57 67.27 Favored 'General case' 0 CA--C 1.58 2.119 0 CA-C-N 119.048 0.84 . . . . 0.0 111.207 162.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.259 6.2 tt -65.48 -36.83 16.04 Favored Pre-proline 0 N--CA 1.499 1.99 0 CA-C-O 115.663 -2.113 . . . . 0.0 112.708 -175.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -48.17 -32.27 18.63 Favored 'Trans proline' 0 CA--C 1.578 2.704 0 CA-C-N 125.302 2.929 . . . . 0.0 116.531 160.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -87.89 -46.04 9.75 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 167.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.343 13.2 tt0 66.77 19.09 10.74 Favored 'General case' 0 CA--C 1.578 2.053 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 174.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.307 29.6 p90 -83.25 -36.02 24.89 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 119.918 -1.739 . . . . 0.0 113.727 165.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.2 t -86.34 45.55 1.25 Allowed 'General case' 0 CA--C 1.58 2.104 0 O-C-N 120.701 -1.25 . . . . 0.0 113.809 166.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -46.14 79.86 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 169.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -67.24 -54.44 20.92 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 110.784 -2.916 . . . . 0.0 113.616 166.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.86 78.16 0.12 Allowed Glycine 0 CA--C 1.559 2.782 0 CA-C-O 116.029 -2.539 . . . . 0.0 119.325 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -68.26 69.41 0.97 Allowed 'Trans proline' 0 CA--C 1.575 2.568 0 CA-C-N 123.35 3.575 . . . . 0.0 118.786 -175.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -126.44 -52.41 1.49 Allowed 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 124.376 1.07 . . . . 0.0 112.409 -176.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 7.0 p -137.04 144.14 45.06 Favored Pre-proline 0 CA--C 1.58 2.133 0 CA-C-N 119.572 1.078 . . . . 0.0 113.333 -176.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -76.11 98.59 1.21 Allowed 'Trans proline' 0 CA--C 1.569 2.259 0 C-N-CA 122.631 2.221 . . . . 0.0 115.099 -174.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.31 47.53 18.96 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.528 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 48.7 t -99.62 -10.45 21.99 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 -169.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -74.12 -37.77 64.01 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 170.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -58.56 -36.86 74.59 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 169.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.1 -41.75 75.72 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 167.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.2 m -49.43 -36.71 23.17 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 165.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.418 0.9 OUTLIER -72.56 -26.02 61.57 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 168.56 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.8 -45.48 79.91 Favored Pre-proline 0 CA--C 1.59 2.502 0 CA-C-N 121.264 1.847 . . . . 0.0 110.469 161.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -72.95 -49.03 0.25 Allowed 'Trans proline' 0 CA--C 1.578 2.715 0 CA-C-N 123.459 2.271 . . . . 0.0 117.191 160.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--O 1.27 2.156 0 CA-C-N 122.956 2.616 . . . . 0.0 112.825 -175.238 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 9' ' ' CYS 0.278 4.1 t . . . . . 1 CA--C 1.641 4.471 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 . . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -66.21 -43.18 87.47 Favored 'General case' 0 CA--C 1.609 3.238 0 CA-C-O 114.074 -2.87 . . . . 0.0 114.67 -166.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 10' ' ' ARG 0.307 7.5 tp10 -75.97 -65.0 0.48 Allowed Pre-proline 0 C--N 1.366 1.325 0 CA-C-O 114.843 -2.503 . . . . 0.0 115.885 177.254 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -72.43 -54.3 0.13 Allowed 'Trans proline' 1 N--CA 1.578 6.465 0 CA-C-N 126.634 3.405 . . . . 0.0 109.751 -177.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.276 93.9 m -77.76 -45.51 24.41 Favored 'General case' 1 N--CA 1.552 4.645 0 CA-C-O 125.168 2.414 . . . . 0.0 109.563 -161.403 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 4' ' ' CYS 0.319 0.5 OUTLIER -68.4 -33.39 74.15 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 118.044 -2.91 . . . . 0.0 113.513 178.849 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 6' ' ' GLU . 50.1 ttt-85 -57.88 -40.87 81.29 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 162.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.267 22.6 m-80 -60.88 -39.41 89.12 Favored 'General case' 1 N--CA 1.589 6.511 0 O-C-N 120.379 -1.451 . . . . 0.0 113.727 160.148 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.722 0.7 OUTLIER -49.84 -44.79 49.69 Favored 'General case' 1 CA--C 1.705 6.941 1 O-C-N 115.892 -4.255 . . . . 0.0 108.83 168.677 . . . . . . . . 6 4 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 1.475 ' CA ' ' C ' ' A' ' 13' ' ' THR . 75.1 m -60.51 -34.65 74.39 Favored 'General case' 1 CA--C 1.8 10.573 2 N-CA-C 98.717 -4.549 . . . . 0.0 98.717 -176.787 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.43 1.9 mpt_? -56.03 -35.31 66.72 Favored 'General case' 0 CA--C 1.612 3.35 0 O-C-N 118.227 -2.796 . . . . 0.0 112.209 166.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.375 9.9 m170 -51.8 -36.29 47.23 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 114.029 -2.891 . . . . 0.0 115.219 157.669 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.377 8.1 tt -67.83 -36.54 9.83 Favored Pre-proline 1 N--CA 1.616 7.829 0 C-N-CA 129.041 2.936 . . . . 0.0 103.693 -169.409 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' A' ' 13' ' ' THR . 94.9 Cg_exo -52.96 -41.18 73.08 Favored 'Trans proline' 0 CA--C 1.484 -1.983 2 O-C-N 109.822 -5.936 . . . . 0.0 113.919 167.135 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 pp -81.48 -39.48 24.72 Favored 'General case' 1 N--CA 1.589 6.503 1 O-C-N 109.607 -8.183 . . . . 0.0 120.988 170.298 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.456 12.9 tt0 75.03 6.73 4.27 Favored 'General case' 2 CA--C 1.692 6.405 0 C-N-CA 130.935 3.694 . . . . 0.0 113.434 165.243 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.496 1.3 p90 -73.57 -37.58 65.46 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 171.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -95.51 56.55 1.83 Allowed 'General case' 1 CA--C 1.699 6.696 0 CA-C-O 125.616 2.626 . . . . 0.0 107.962 172.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -29.75 43.56 Favored 'General case' 0 CA--C 1.619 3.603 1 N-CA-C 122.731 4.345 . . . . 0.0 122.731 170.527 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 p -88.72 -44.53 10.5 Favored 'General case' 0 CA--C 1.618 3.581 1 CA-C-N 101.423 -7.171 . . . . 0.0 109.524 170.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.59 80.66 0.05 OUTLIER Glycine 1 CA--C 1.638 7.738 1 CA-C-O 113.098 -4.168 . . . . 0.0 118.159 172.203 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -74.64 79.03 2.64 Favored 'Trans proline' 0 C--N 1.397 3.085 2 CA-C-O 131.23 4.596 . . . . 0.0 114.592 -166.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.25 4.1 mp -139.08 -48.62 0.49 Allowed 'General case' 2 N--CA 1.604 7.247 1 O-C-N 112.415 -6.428 . . . . 0.0 105.446 -164.18 . . . . . . . . 4 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.479 20.4 p -135.8 147.94 63.22 Favored Pre-proline 1 N--CA 1.587 6.419 0 CA-C-O 115.637 -2.125 . . . . 0.0 109.073 -175.569 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.372 79.1 Cg_endo -69.2 104.48 1.24 Allowed 'Trans proline' 2 N--CA 1.66 11.316 0 C-N-CA 123.323 2.682 . . . . 0.0 113.92 166.973 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.311 . . 54.47 50.82 15.28 Favored 'General case' 2 CA--C 1.665 5.403 0 CA-C-O 116.51 -1.709 . . . . 0.0 112.491 167.484 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.302 41.1 t -108.25 -10.56 15.36 Favored 'General case' 0 C--O 1.279 2.611 0 O-C-N 116.777 -3.702 . . . . 0.0 116.006 -168.705 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.451 1.2 tmt? -65.94 -49.58 67.42 Favored 'General case' 0 C--N 1.398 2.688 0 CA-C-O 115.279 -2.296 . . . . 0.0 114.685 170.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -56.15 -28.16 56.97 Favored 'General case' 1 N--CA 1.624 8.258 0 N-CA-C 120.976 3.695 . . . . 0.0 120.976 172.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 36' ' ' GLN . . . -59.79 -46.75 88.25 Favored 'General case' 1 N--CA 1.578 5.955 0 CA-C-O 114.853 -2.499 . . . . 0.0 116.847 165.802 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 m -48.15 -42.69 30.16 Favored 'General case' 0 CA--C 1.593 2.608 1 O-C-N 131.292 5.37 . . . . 0.0 113.31 164.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.575 0.9 OUTLIER -60.21 -32.08 70.77 Favored 'General case' 1 N--CA 1.554 4.77 0 C-N-CA 129.184 2.994 . . . . 0.0 113.866 165.714 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 61.5 mt-30 -59.5 -44.73 98.33 Favored Pre-proline 1 N--CA 1.557 4.882 0 O-C-N 117.295 -3.378 . . . . 0.0 105.396 170.429 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -73.28 -44.27 0.58 Allowed 'Trans proline' 0 N--CA 1.517 2.877 1 CA-C-N 132.298 5.428 . . . . 0.0 118.6 158.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.385 35.9 tt0 . . . . . 1 CA--C 1.631 4.074 0 CA-C-N 124.65 3.386 . . . . 0.0 115.339 -176.535 . . . . . . . . 2 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 3.7 t . . . . . 0 CA--C 1.588 2.413 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.274 2.8 pt-20 -55.06 -53.0 61.44 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 118.518 -2.614 . . . . 0.0 115.935 -170.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 10' ' ' ARG 0.378 5.5 tp10 -73.48 -66.28 0.55 Allowed Pre-proline 0 C--N 1.427 3.938 0 O-C-N 116.305 -3.997 . . . . 0.0 117.625 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -65.93 -58.97 0.15 Allowed 'Trans proline' 0 C--O 1.246 0.923 0 CA-C-N 127.643 3.765 . . . . 0.0 114.868 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.396 97.6 m -68.41 -49.09 62.56 Favored 'General case' 0 C--N 1.415 3.428 2 CA-C-O 130.978 5.18 . . . . 0.0 119.985 -169.721 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 4' ' ' CYS 0.384 0.1 OUTLIER -62.86 -38.26 90.1 Favored 'General case' 0 C--O 1.284 2.902 0 CA-C-N 109.843 -3.344 . . . . 0.0 115.984 174.461 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 6' ' ' GLU . 45.8 ttt-85 -60.82 -42.34 97.5 Favored 'General case' 0 N--CA 1.53 3.555 1 CA-C-O 110.195 -4.717 . . . . 0.0 103.918 166.66 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -68.65 -30.09 68.72 Favored 'General case' 0 CA--C 1.617 3.54 1 CA-C-N 126.233 4.106 . . . . 0.0 117.304 166.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.386 3.0 ptp180 -57.87 -28.58 64.3 Favored 'General case' 0 C--N 1.371 1.54 1 O-C-N 115.844 -4.285 . . . . 0.0 114.39 165.776 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.472 ' O ' ' HD2' ' A' ' 17' ' ' PRO . 59.2 m -62.45 -34.11 76.15 Favored 'General case' 2 CA--C 1.705 6.925 0 CA-C-O 115.716 -2.087 . . . . 0.0 106.375 171.504 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.359 1.4 mpt_? -55.44 -32.92 63.15 Favored 'General case' 1 N--CA 1.544 4.239 0 CA-C-N 120.964 1.711 . . . . 0.0 112.08 164.805 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.33 23.9 m170 -58.64 -30.53 67.38 Favored 'General case' 0 CA--C 1.627 3.933 1 CA-C-O 109.753 -4.927 . . . . 0.0 116.565 160.999 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.291 8.8 tt -70.57 -31.11 2.03 Favored Pre-proline 0 N--CA 1.517 2.915 1 O-C-N 129.441 4.213 . . . . 0.0 106.196 -173.062 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.472 ' HD2' ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -60.81 -31.9 92.25 Favored 'Trans proline' 1 N--CA 1.558 5.318 0 O-C-N 113.893 -3.793 . . . . 0.0 111.341 168.064 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 15' ' ' HIS . 3.6 pp -81.54 -48.65 11.54 Favored 'General case' 0 CA--C 1.623 3.777 1 O-C-N 111.391 -7.068 . . . . 0.0 115.017 171.128 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.754 14.5 tt0 76.77 2.96 3.41 Favored 'General case' 0 C--O 1.271 2.198 1 N-CA-C 123.836 4.754 . . . . 0.0 123.836 175.406 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.268 2.2 p90 -82.19 -28.88 31.77 Favored 'General case' 0 C--N 1.41 3.238 1 O-C-N 115.864 -4.272 . . . . 0.0 114.346 177.445 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.305 46.2 t -94.94 58.23 2.19 Favored 'General case' 1 CA--C 1.665 5.366 1 CA-C-O 130.504 4.954 . . . . 0.0 111.133 165.86 . . . . . . . . 4 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -18.76 28.74 Favored 'General case' 1 C--O 1.352 6.462 3 N-CA-C 126.027 5.566 . . . . 0.0 126.027 173.361 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -90.43 -51.11 5.58 Favored 'General case' 0 CA--C 1.606 3.109 1 CA-C-N 105.004 -5.544 . . . . 0.0 103.855 171.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.24 72.38 0.57 Allowed Glycine 2 C--N 1.445 6.636 1 CA-C-O 108.809 -6.55 . . . . 0.0 118.234 175.68 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -69.77 81.16 0.84 Allowed 'Trans proline' 1 N--CA 1.633 9.681 1 CA-C-N 128.447 6.124 . . . . 0.0 108.444 -164.632 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.457 6.2 mp -146.53 -40.15 0.21 Allowed 'General case' 0 C--N 1.256 -3.46 0 CA-C-O 124.355 2.026 . . . . 0.0 111.057 -168.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . 0.312 16.3 p -140.64 145.88 42.24 Favored Pre-proline 0 N--CA 1.507 2.379 0 O-C-N 116.786 -3.696 . . . . 0.0 110.8 174.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -67.81 108.57 1.7 Allowed 'Trans proline' 1 C--N 1.421 4.362 0 CA-C-N 124.227 2.545 . . . . 0.0 111.885 175.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 53.16 49.65 19.49 Favored 'General case' 1 CA--C 1.641 4.466 1 O-C-N 115.305 -4.622 . . . . 0.0 113.546 166.304 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 4' ' ' CYS 0.392 14.1 t -115.26 3.99 14.38 Favored 'General case' 1 N--CA 1.593 6.707 1 O-C-N 113.988 -5.445 . . . . 0.0 113.441 -169.101 . . . . . . . . 5 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.364 1.4 tmt? -73.3 -44.39 59.21 Favored 'General case' 0 C--N 1.398 2.704 1 O-C-N 131.769 5.668 . . . . 0.0 111.997 170.733 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -60.43 -25.27 65.83 Favored 'General case' 1 C--N 1.475 6.039 0 N-CA-C 121.269 3.803 . . . . 0.0 121.269 174.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 36' ' ' GLN . . . -69.09 -31.93 71.01 Favored 'General case' 0 C--N 1.398 2.691 1 N-CA-C 124.216 4.895 . . . . 0.0 124.216 171.523 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.7 m -60.3 -36.93 79.03 Favored 'General case' 1 CA--C 1.726 7.72 1 CA-C-O 109.676 -4.964 . . . . 0.0 104.577 166.192 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.396 1.2 mp -69.39 -28.94 66.61 Favored 'General case' 0 C--N 1.367 1.354 0 CA-C-N 125.419 3.736 . . . . 0.0 109.966 170.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 51.1 mt-30 -52.16 -53.76 48.71 Favored Pre-proline 1 CA--C 1.639 4.399 0 CA-C-N 123.591 2.905 . . . . 0.0 108.794 164.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.66 -53.02 1.1 Allowed 'Trans proline' 1 N--CA 1.56 5.424 1 CA-C-N 129.621 4.472 . . . . 0.0 115.516 161.779 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.279 50.7 tt0 . . . . . 1 C--O 1.318 4.688 0 CA-C-O 112.083 -3.818 . . . . 0.0 120.726 -175.703 . . . . . . . . 2 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.444 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.429 1.8 t . . . . . 0 CA--C 1.457 -2.632 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.466 2.1 pt-20 -47.53 -61.0 2.13 Favored 'General case' 0 C--N 1.258 -3.392 0 CA-C-O 116.537 -1.697 . . . . 0.0 114.918 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 10' ' ' ARG 0.346 2.3 tp10 -75.94 -64.51 0.53 Allowed Pre-proline 2 N--CA 1.56 5.074 1 CA-C-O 110.83 -4.414 . . . . 0.0 116.937 -175.593 . . . . . . . . 5 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.33 6.3 Cg_endo -56.17 -67.28 0.08 OUTLIER 'Trans proline' 0 C--N 1.291 -2.48 1 CA-C-N 129.752 4.518 . . . . 0.0 118.941 169.661 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.357 90.5 m -70.6 -45.62 64.96 Favored 'General case' 0 N--CA 1.505 2.277 1 N-CA-C 123.874 4.768 . . . . 0.0 123.874 -171.985 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -28.77 65.79 Favored 'General case' 1 CA--C 1.647 4.71 0 CA-C-N 110.908 -2.86 . . . . 0.0 114.894 173.548 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' GLU . 29.1 ttt-85 -63.75 -44.3 93.89 Favored 'General case' 1 C--N 1.436 4.331 0 CA-C-O 114.52 -2.657 . . . . 0.0 107.598 162.083 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -62.63 -37.03 84.72 Favored 'General case' 0 N--CA 1.502 2.141 0 CA-C-N 125.846 3.93 . . . . 0.0 116.677 165.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.424 HH12 HD13 ' A' ' 26' ' ' LEU 0.427 3.8 ptp180 -57.9 -32.43 67.73 Favored 'General case' 1 N--CA 1.576 5.867 0 C-N-CA 117.106 -1.838 . . . . 0.0 110.217 169.731 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.477 8.6 m -49.37 -33.77 14.42 Favored 'General case' 2 N--CA 1.634 8.734 1 N-CA-C 123.679 4.696 . . . . 0.0 123.679 155.332 . . . . . . . . 4 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -66.42 -20.61 66.11 Favored 'General case' 1 N--CA 1.556 4.856 0 O-C-N 126.413 2.321 . . . . 0.0 114.288 165.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.359 55.8 m170 -72.35 -35.57 68.58 Favored 'General case' 1 CA--C 1.659 5.166 1 CA-C-O 111.178 -4.249 . . . . 0.0 106.619 169.493 . . . . . . . . 5 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.366 5.5 tt -54.23 -37.15 50.17 Favored Pre-proline 0 C--N 1.401 2.815 0 N-CA-C 118.871 2.915 . . . . 0.0 118.871 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.301 92.7 Cg_exo -51.56 -31.69 40.91 Favored 'Trans proline' 1 CA--C 1.617 4.651 0 O-C-N 114.917 -3.254 . . . . 0.0 117.2 159.077 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 15' ' ' HIS 0.496 3.7 pp -82.98 -57.09 3.44 Favored 'General case' 0 CA--C 1.607 3.168 0 CA-C-N 118.153 0.433 . . . . 0.0 110.707 171.835 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.424 19.1 tt0 68.96 23.05 6.79 Favored 'General case' 0 CA--C 1.562 1.426 0 O-C-N 128.07 3.356 . . . . 0.0 119.307 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.276 16.6 p90 -91.07 -35.63 14.49 Favored 'General case' 1 N--CA 1.574 5.742 0 O-C-N 120.499 -1.376 . . . . 0.0 111.754 173.009 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.2 t -82.13 52.82 2.08 Favored 'General case' 0 C--O 1.299 3.701 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 161.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.339 0.0 OUTLIER -79.28 -35.15 41.77 Favored 'General case' 2 N--CA 1.578 5.96 0 N-CA-C 121.176 3.769 . . . . 0.0 121.176 179.649 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.3 p -74.76 -51.99 12.67 Favored 'General case' 0 C--N 1.294 -1.819 2 CA-C-N 102.26 -6.791 . . . . 0.0 105.045 169.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.38 71.96 0.7 Allowed Glycine 1 C--N 1.561 13.044 1 CA-C-O 109.717 -6.046 . . . . 0.0 112.83 173.756 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.83 74.32 0.66 Allowed 'Trans proline' 2 N--CA 1.615 8.649 1 CA-C-N 133.853 8.827 . . . . 0.0 114.907 -173.433 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.63 ' CB ' ' CA ' ' A' ' 26' ' ' LEU 0.354 6.0 mp -146.15 -37.89 0.24 Allowed 'General case' 0 C--N 1.425 3.856 0 CA-C-N 120.934 1.697 . . . . 0.0 113.685 -170.292 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 15.6 p -139.97 146.92 48.83 Favored Pre-proline 1 C--O 1.309 4.213 0 C-N-CA 114.49 -2.884 . . . . 0.0 111.226 169.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.472 ' O ' ' HB3' ' A' ' 29' ' ' ALA 0.378 10.3 Cg_endo -73.58 100.39 1.25 Allowed 'Trans proline' 3 CA--C 1.726 10.108 0 CA-C-N 122.938 2.085 . . . . 0.0 112.659 -172.867 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.662 ' C ' ' CA ' ' A' ' 30' ' ' CYS . . . 67.64 30.81 6.37 Favored 'General case' 0 N--CA 1.529 3.513 0 C-N-CA 117.237 -1.785 . . . . 0.0 114.645 172.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 1.515 ' N ' ' CA ' ' A' ' 30' ' ' CYS 0.29 18.1 t -101.08 6.76 43.44 Favored 'General case' 1 N--CA 1.696 11.862 0 CA-C-N 123.999 3.09 . . . . 0.0 115.617 -167.154 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.367 1.5 tmt? -81.43 -41.79 21.33 Favored 'General case' 1 CA--C 1.661 5.216 1 CA-C-O 102.778 -8.248 . . . . 0.0 105.851 176.429 . . . . . . . . 4 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -64.05 -36.92 85.57 Favored 'General case' 1 CA--C 1.654 4.973 1 O-C-N 131.021 5.201 . . . . 0.0 110.498 179.34 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' GLN . . . -55.69 -41.63 74.03 Favored 'General case' 0 C--N 1.398 2.675 0 C-N-CA 129.103 2.961 . . . . 0.0 117.114 -177.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -55.76 -36.43 67.32 Favored 'General case' 1 CA--C 1.673 5.681 1 CA-C-O 110.816 -4.421 . . . . 0.0 104.792 168.364 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.516 3.5 mp -70.7 -33.25 70.68 Favored 'General case' 0 CA--C 1.602 2.945 0 O-C-N 126.753 2.533 . . . . 0.0 111.637 172.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 33' ' ' ALA 0.354 40.2 mt-30 -39.17 -58.03 1.98 Allowed Pre-proline 0 CA--C 1.61 3.27 0 C-N-CA 117.894 -1.522 . . . . 0.0 114.019 158.418 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -72.62 -44.8 0.64 Allowed 'Trans proline' 1 CA--C 1.63 5.317 0 CA-C-N 126.329 3.296 . . . . 0.0 114.68 165.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.426 48.5 tt0 . . . . . 1 CA--C 1.667 5.445 1 CA-C-O 108.456 -5.545 . . . . 0.0 114.652 -178.108 . . . . . . . . 3 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.225 -0.234 1 CA-C-O 111.666 -4.016 . . . . 0.0 116.532 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.49 ' HA ' ' HB2' ' A' ' 9' ' ' CYS 0.389 4.6 pt-20 -50.58 -52.47 38.85 Favored 'General case' 1 C--N 1.432 4.192 1 O-C-N 129.328 4.142 . . . . 0.0 118.76 175.278 . . . . . . . . 5 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.317 1.0 OUTLIER -80.7 -58.59 0.53 Allowed Pre-proline 0 C--N 1.401 2.837 0 O-C-N 118.113 -2.867 . . . . 0.0 112.454 -169.164 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -64.62 -61.18 0.11 Allowed 'Trans proline' 1 C--N 1.482 7.591 1 O-C-N 112.349 -4.606 . . . . 0.0 117.84 171.482 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.279 87.2 m -78.47 -46.45 19.67 Favored 'General case' 1 N--CA 1.589 6.519 0 C-N-CA 126.776 2.031 . . . . 0.0 115.617 -164.705 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 5' ' ' GLU . 0.5 OUTLIER -66.58 -37.09 84.2 Favored 'General case' 0 C--O 1.279 2.618 1 O-C-N 130.62 4.95 . . . . 0.0 108.069 175.524 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.487 ' O ' ' HB ' ' A' ' 13' ' ' THR . 22.9 ttt-85 -57.59 -41.9 82.12 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-O 117.991 -1.005 . . . . 0.0 112.664 164.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -66.02 -35.34 80.3 Favored 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 167.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.584 HH12 HD13 ' A' ' 26' ' ' LEU 0.644 1.8 ptp180 -53.76 -41.87 67.61 Favored 'General case' 0 CA--C 1.578 2.056 0 CA-C-O 112.52 -3.61 . . . . 0.0 108.049 162.427 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' ' 10' ' ' ARG 0.406 23.3 m -49.06 -29.05 4.6 Favored 'General case' 2 N--CA 1.617 7.919 0 N-CA-C 120.904 3.668 . . . . 0.0 120.904 160.597 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.31 0.3 OUTLIER -65.83 -34.7 78.76 Favored 'General case' 0 N--CA 1.531 3.601 1 O-C-N 132.114 5.884 . . . . 0.0 110.758 161.681 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.434 ' C ' ' CA ' ' A' ' 16' ' ' LEU 0.307 51.0 m170 -65.77 -35.73 81.54 Favored 'General case' 0 N--CA 1.514 2.738 0 O-C-N 118.14 -2.85 . . . . 0.0 106.279 174.365 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.532 ' N ' ' CA ' ' A' ' 16' ' ' LEU 0.266 2.2 tt -52.04 -34.35 15.03 Favored Pre-proline 2 N--CA 1.697 11.879 0 N-CA-C 119.328 3.084 . . . . 0.0 119.328 178.514 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.462 51.4 Cg_exo -50.69 -29.46 25.76 Favored 'Trans proline' 0 C--N 1.397 3.103 1 N-CA-C 123.46 4.369 . . . . 0.0 123.46 153.038 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.454 3.7 pp -88.4 -52.08 5.38 Favored 'General case' 2 N--CA 1.544 4.265 0 O-C-N 127.983 3.302 . . . . 0.0 112.546 164.132 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 65.03 30.54 11.69 Favored 'General case' 1 CA--C 1.649 4.769 1 C-N-CA 133.111 4.564 . . . . 0.0 111.503 176.228 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.364 42.3 p90 -90.2 -40.56 12.12 Favored 'General case' 0 C--O 1.275 2.409 0 O-C-N 118.412 -2.68 . . . . 0.0 110.574 169.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.4 t -77.03 42.28 0.31 Allowed 'General case' 1 CA--C 1.659 5.138 0 O-C-N 127.79 3.181 . . . . 0.0 118.654 165.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.36 0.0 OUTLIER -78.99 -38.2 37.37 Favored 'General case' 0 C--O 1.293 3.383 0 CA-C-O 115.917 -1.992 . . . . 0.0 113.398 -170.021 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -72.42 -35.46 68.36 Favored 'General case' 0 CA--C 1.607 3.157 1 CA-C-O 108.543 -5.503 . . . . 0.0 111.663 165.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 44.82 80.72 0.04 OUTLIER Glycine 0 C--N 1.393 3.732 1 CA-C-O 109.182 -6.343 . . . . 0.0 112.556 172.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.318 4.2 Cg_exo -63.65 72.91 0.16 Allowed 'Trans proline' 0 C--N 1.389 2.68 1 CA-C-N 131.288 7.544 . . . . 0.0 119.011 -177.953 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.584 HD13 HH12 ' A' ' 12' ' ' ARG . 3.0 mp -143.29 -45.49 0.29 Allowed 'General case' 1 N--CA 1.586 6.368 1 CA-C-O 109.568 -5.015 . . . . 0.0 110.996 -168.468 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.324 26.5 p -132.01 149.24 72.74 Favored Pre-proline 0 C--O 1.203 -1.384 0 CA-C-N 123.274 2.761 . . . . 0.0 107.052 176.672 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.332 6.7 Cg_endo -76.74 87.78 1.44 Allowed 'Trans proline' 2 CA--C 1.655 6.529 0 O-C-N 113.583 -3.956 . . . . 0.0 109.284 178.363 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 78.47 21.89 0.76 Allowed 'General case' 0 N--CA 1.531 3.594 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 166.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.477 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.251 10.7 t -87.98 3.83 47.25 Favored 'General case' 1 N--CA 1.581 6.088 2 CA-C-O 128.812 4.149 . . . . 0.0 122.146 -167.7 . . . . . . . . 5 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -80.2 -46.19 16.74 Favored 'General case' 0 CA--C 1.602 2.971 1 CA-C-O 106.127 -6.654 . . . . 0.0 106.883 174.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -53.76 -44.0 69.64 Favored 'General case' 2 CA--C 1.65 4.801 1 CA-C-N 127.887 4.858 . . . . 0.0 112.254 178.522 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.2 54.53 Favored 'General case' 1 N--CA 1.551 4.613 1 CA-C-O 110.286 -4.673 . . . . 0.0 115.004 -175.363 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -51.77 -43.22 62.92 Favored 'General case' 0 N--CA 1.429 -1.515 1 O-C-N 129.825 4.453 . . . . 0.0 113.466 163.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.731 4.6 mp -59.27 -30.21 68.13 Favored 'General case' 1 N--CA 1.633 8.678 0 C-N-CA 127.414 2.286 . . . . 0.0 113.855 164.144 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -55.24 -45.73 99.8 Favored Pre-proline 2 CA--C 1.704 6.892 1 CA-C-O 110.419 -4.61 . . . . 0.0 109.75 167.263 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -74.62 -48.08 0.2 Allowed 'Trans proline' 1 CA--C 1.628 5.189 0 CA-C-N 126.025 3.187 . . . . 0.0 113.425 163.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.465 46.4 tt0 . . . . . 2 C--N 1.486 6.536 1 CA-C-O 110.296 -4.669 . . . . 0.0 107.559 -177.021 . . . . . . . . 3 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.9 t . . . . . 0 C--O 1.285 2.968 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.563 ' HA ' ' HB2' ' A' ' 9' ' ' CYS . 3.3 pt-20 -47.98 -54.03 14.22 Favored 'General case' 2 C--N 1.459 5.334 0 CA-C-O 114.176 -2.821 . . . . 0.0 112.211 -176.882 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.506 0.9 OUTLIER -75.22 -63.79 0.66 Allowed Pre-proline 2 C--N 1.448 4.89 0 CA-C-N 123.838 3.017 . . . . 0.0 109.819 -170.686 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -68.72 -66.16 0.04 OUTLIER 'Trans proline' 2 N--CA 1.551 4.858 1 O-C-N 113.333 -4.088 . . . . 0.0 113.968 177.972 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.1 m -76.98 -43.47 34.82 Favored 'General case' 0 N--CA 1.536 3.871 1 CA-C-O 110.924 -4.37 . . . . 0.0 119.371 -166.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.563 ' HB2' ' HA ' ' A' ' 5' ' ' GLU 0.312 1.3 m -48.07 -50.95 26.37 Favored 'General case' 0 N--CA 1.525 3.301 1 O-C-N 130.212 4.695 . . . . 0.0 111.487 162.528 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.541 ' O ' ' HB ' ' A' ' 13' ' ' THR . 26.7 ttt-85 -55.87 -36.28 67.41 Favored 'General case' 2 CA--C 1.644 4.591 0 O-C-N 118.298 -2.751 . . . . 0.0 111.949 167.753 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.502 ' O ' ' HB2' ' A' ' 14' ' ' ARG 0.279 42.1 m-80 -70.41 -36.87 74.29 Favored 'General case' 0 N--CA 1.502 2.137 0 CA-C-O 112.835 -3.46 . . . . 0.0 112.406 171.024 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.68 HH12 HD13 ' A' ' 26' ' ' LEU 0.501 3.2 ptp180 -58.39 -30.68 67.01 Favored 'General case' 0 C--N 1.384 2.07 0 O-C-N 126.472 2.358 . . . . 0.0 110.425 166.515 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 1.533 ' CA ' ' C ' ' A' ' 13' ' ' THR . 54.7 m -60.72 -27.29 67.8 Favored 'General case' 2 CA--C 1.753 8.757 1 O-C-N 115.737 -4.352 . . . . 0.0 115.279 166.536 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -68.93 -32.39 71.96 Favored 'General case' 1 CA--C 1.636 4.281 0 CA-C-O 114.207 -2.806 . . . . 0.0 112.586 160.213 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 23.2 m170 -60.2 -25.61 65.73 Favored 'General case' 0 CA--C 1.585 2.302 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 164.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.4 ' N ' ' CA ' ' A' ' 16' ' ' LEU . 1.3 tt -56.23 -29.47 5.9 Favored Pre-proline 2 N--CA 1.85 19.534 1 CA-C-O 111.124 -4.274 . . . . 0.0 114.593 176.415 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.301 19.0 Cg_exo -59.91 -32.89 95.87 Favored 'Trans proline' 1 N--CA 1.537 4.051 2 C-N-CA 129.586 6.857 . . . . 0.0 117.179 159.086 . . . . . . . . 4 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -87.12 -46.94 9.31 Favored 'General case' 0 N--CA 1.527 3.391 1 CA-C-O 110.507 -4.568 . . . . 0.0 112.374 162.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.429 7.3 tt0 69.35 7.52 6.28 Favored 'General case' 0 C--N 1.372 1.546 1 O-C-N 129.59 4.306 . . . . 0.0 115.516 173.976 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -78.64 -26.06 45.1 Favored 'General case' 0 C--N 1.406 3.028 0 N-CA-C 119.513 3.153 . . . . 0.0 119.513 170.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.6 t -91.69 47.78 1.39 Allowed 'General case' 0 CA--C 1.627 3.908 1 O-C-N 130.452 4.845 . . . . 0.0 112.186 168.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -92.9 -16.76 24.83 Favored 'General case' 0 C--O 1.177 -2.727 0 CA-C-N 125.657 3.844 . . . . 0.0 115.912 -169.545 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.298 2.7 p -86.11 -36.39 19.62 Favored 'General case' 0 CA--C 1.623 3.768 0 C-N-CA 129.762 3.225 . . . . 0.0 107.892 159.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 33.53 76.78 0.04 OUTLIER Glycine 1 CA--C 1.591 4.823 2 CA-C-O 110.454 -5.637 . . . . 0.0 123.798 -175.543 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -58.82 79.54 0.05 OUTLIER 'Trans proline' 0 CA--C 1.584 2.975 1 CA-C-N 125.698 4.749 . . . . 0.0 116.625 -172.645 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.68 HD13 HH12 ' A' ' 12' ' ' ARG 0.379 4.6 mp -146.14 -40.82 0.21 Allowed 'General case' 1 CA--C 1.629 4.016 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -169.757 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.392 14.3 p -137.31 151.42 71.45 Favored Pre-proline 0 C--N 1.401 2.81 0 N-CA-C 105.278 -2.119 . . . . 0.0 105.278 178.227 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -78.11 90.31 1.27 Allowed 'Trans proline' 2 CA--C 1.413 -5.561 1 C-N-CA 126.331 4.687 . . . . 0.0 111.251 167.081 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.279 . . 65.63 32.27 9.29 Favored 'General case' 0 CA--C 1.604 3.054 0 O-C-N 117.254 -3.404 . . . . 0.0 114.761 165.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.488 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.431 10.9 t -80.67 -6.35 58.25 Favored 'General case' 1 CA--C 1.673 5.693 0 C-N-CA 127.527 2.331 . . . . 0.0 116.481 -175.066 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.95 -58.44 3.32 Favored 'General case' 0 N--CA 1.506 2.34 0 CA-C-O 116.421 -1.752 . . . . 0.0 110.954 169.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -41.98 -41.86 2.64 Favored 'General case' 0 N--CA 1.53 3.548 2 O-C-N 114.003 -5.435 . . . . 0.0 121.443 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HA ' ' HG3' ' A' ' 36' ' ' GLN . . . -58.46 -28.59 65.47 Favored 'General case' 0 N--CA 1.505 2.282 1 C-N-CA 132.682 4.393 . . . . 0.0 120.721 178.012 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 5' ' ' GLU 0.289 6.0 m -62.12 -41.95 98.75 Favored 'General case' 0 CA--C 1.585 2.324 0 C-N-CA 129.203 3.001 . . . . 0.0 114.019 159.173 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.661 5.0 mp -58.1 -21.8 47.83 Favored 'General case' 2 CA--C 1.712 7.19 0 O-C-N 127.295 2.872 . . . . 0.0 113.642 165.192 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.424 ' HG3' ' HA ' ' A' ' 33' ' ' ALA 0.448 21.7 mt-30 -59.75 -50.26 87.65 Favored Pre-proline 2 N--CA 1.593 6.706 1 CA-C-O 111.324 -4.179 . . . . 0.0 104.748 169.111 . . . . . . . . 5 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.374 2.7 Cg_exo -67.61 -55.71 0.26 Allowed 'Trans proline' 1 C--N 1.426 4.627 1 C-N-CA 129.082 6.521 . . . . 0.0 111.785 164.996 . . . . . . . . 4 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.398 42.6 tt0 . . . . . 1 C--N 1.471 5.888 1 CA-C-O 111.47 -4.109 . . . . 0.0 113.26 -172.189 . . . . . . . . 3 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.2 t . . . . . 0 CA--C 1.629 4.0 0 CA-C-O 123.201 1.477 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.375 4.8 pt-20 -56.15 -59.53 4.8 Favored 'General case' 0 C--N 1.412 3.289 0 CA-C-N 111.214 -2.721 . . . . 0.0 117.829 -177.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.388 0.6 OUTLIER -72.47 -57.14 3.61 Favored Pre-proline 0 C--O 1.175 -2.864 1 CA-C-O 111.144 -4.265 . . . . 0.0 110.939 -178.266 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -72.92 -64.25 0.03 OUTLIER 'Trans proline' 1 N--CA 1.65 10.704 1 CA-C-N 132.09 5.354 . . . . 0.0 120.191 174.389 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.6 m -72.54 -43.48 63.44 Favored 'General case' 0 N--CA 1.519 2.989 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 -170.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.56 -45.48 86.89 Favored 'General case' 0 CA--C 1.482 -1.645 0 CA-C-O 116.912 -1.518 . . . . 0.0 113.605 169.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.9 ttt-85 -52.97 -37.97 61.71 Favored 'General case' 2 CA--C 1.674 5.742 0 N-CA-C 104.338 -2.467 . . . . 0.0 104.338 167.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.518 55.0 m-80 -71.38 -34.28 70.28 Favored 'General case' 1 N--CA 1.55 4.541 0 O-C-N 118.964 -2.335 . . . . 0.0 112.952 170.042 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.525 HH12 HD13 ' A' ' 26' ' ' LEU 0.592 0.5 OUTLIER -57.47 -36.72 71.81 Favored 'General case' 0 N--CA 1.519 3.0 0 CA-C-O 124.502 2.096 . . . . 0.0 111.584 163.874 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.549 33.2 m -52.55 -30.54 31.21 Favored 'General case' 2 CA--C 1.682 6.034 1 O-C-N 115.748 -4.345 . . . . 0.0 110.655 163.31 . . . . . . . . 4 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.282 0.1 OUTLIER -73.25 -30.47 63.47 Favored 'General case' 0 CA--C 1.573 1.864 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.936 165.236 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 1.396 ' CA ' ' C ' ' A' ' 15' ' ' HIS 0.393 7.1 m170 -63.34 -25.82 68.48 Favored 'General case' 1 CA--C 1.899 14.39 0 N-CA-C 104.454 -2.424 . . . . 0.0 104.454 172.737 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.9 -38.87 64.94 Favored Pre-proline 1 N--CA 1.546 4.367 0 CA-C-O 113.063 -3.351 . . . . 0.0 107.473 -168.552 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -53.84 -34.61 76.29 Favored 'Trans proline' 1 N--CA 1.583 6.787 2 N-CA-C 125.998 5.345 . . . . 0.0 125.998 159.566 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 20' ' ' PHE 0.414 2.7 pp -78.52 -60.82 2.22 Favored 'General case' 2 N--CA 1.582 6.143 0 CA-C-O 127.238 3.399 . . . . 0.0 104.708 164.774 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 75.93 14.77 2.57 Favored 'General case' 1 N--CA 1.564 5.269 0 O-C-N 117.46 -3.275 . . . . 0.0 117.206 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.401 ' CD1' HD13 ' A' ' 18' ' ' LEU 0.318 25.4 p90 -78.31 -27.52 47.22 Favored 'General case' 0 C--N 1.39 2.348 0 O-C-N 118.07 -2.894 . . . . 0.0 117.087 167.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.0 t -103.41 49.77 0.82 Allowed 'General case' 1 N--CA 1.542 4.171 0 O-C-N 120.937 -1.102 . . . . 0.0 109.732 171.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.368 0.0 OUTLIER -67.09 -16.03 64.08 Favored 'General case' 1 C--O 1.316 4.558 1 N-CA-C 127.171 5.989 . . . . 0.0 127.171 164.591 . . . . . . . . 5 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 p -99.3 -49.32 4.5 Favored 'General case' 0 CA--C 1.618 3.57 0 CA-C-N 110.632 -2.986 . . . . 0.0 115.218 163.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 41.27 86.39 0.01 OUTLIER Glycine 0 CA--C 1.573 3.677 1 O-C-N 132.242 5.964 . . . . 0.0 110.032 174.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.398 60.6 Cg_endo -49.87 68.03 0.02 OUTLIER 'Trans proline' 1 CA--C 1.695 8.571 2 C-N-CA 128.512 6.142 . . . . 0.0 122.845 170.726 . . . . . . . . 4 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD13 HH12 ' A' ' 12' ' ' ARG . 1.7 mp -134.74 -35.52 0.87 Allowed 'General case' 0 N--CA 1.524 3.239 1 C-N-CA 132.126 4.17 . . . . 0.0 121.183 -178.796 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.714 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.456 19.4 p -155.08 137.86 10.35 Favored Pre-proline 0 C--O 1.193 -1.905 1 CA-C-O 131.658 5.504 . . . . 0.0 105.629 -165.093 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.48 105.64 1.06 Allowed 'Trans proline' 1 N--CA 1.649 10.653 3 CA-C-O 133.828 5.679 . . . . 0.0 98.124 -178.615 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 38.16 44.29 0.65 Allowed 'General case' 1 N--CA 1.601 7.105 1 O-C-N 109.696 -8.127 . . . . 0.0 117.36 172.894 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.714 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.455 50.3 t -79.25 -7.4 58.24 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 111.838 -3.934 . . . . 0.0 112.037 175.586 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.522 ' C ' ' SD ' ' A' ' 31' ' ' MET . 0.0 OUTLIER -76.43 -36.65 57.87 Favored 'General case' 2 N--CA 1.664 10.236 1 CA-C-N 129.779 5.718 . . . . 0.0 116.451 169.614 . . . . . . . . 5 4 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.457 25.5 pttt -56.87 -48.78 77.34 Favored 'General case' 0 N--CA 1.52 3.062 0 O-C-N 120.338 -1.476 . . . . 0.0 111.127 176.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.269 . . -48.7 -28.12 3.36 Favored 'General case' 0 CA--C 1.589 2.448 0 CA-C-O 128.491 3.996 . . . . 0.0 121.709 172.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.319 1.0 OUTLIER -70.82 -38.82 73.28 Favored 'General case' 0 N--CA 1.521 3.118 1 O-C-N 115.646 -4.409 . . . . 0.0 115.422 170.124 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.375 3.1 mp -60.7 -27.08 67.62 Favored 'General case' 0 CA--C 1.428 -3.722 1 CA-C-O 109.608 -4.996 . . . . 0.0 106.376 166.896 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.29 29.2 mt-30 -50.33 -49.18 78.28 Favored Pre-proline 1 N--CA 1.545 4.295 1 CA-C-N 129.84 5.746 . . . . 0.0 108.715 170.716 . . . . . . . . 4 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.264 2.9 Cg_exo -70.0 -47.99 0.75 Allowed 'Trans proline' 0 CA--C 1.579 2.766 0 CA-C-N 125.476 2.992 . . . . 0.0 112.303 166.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.318 18.3 tt0 . . . . . 1 N--CA 1.54 4.044 1 O-C-N 114.846 -4.909 . . . . 0.0 100.719 -166.276 . . . . . . . . 3 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.287 3.04 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.282 9.8 pt-20 -57.55 -70.89 0.11 Allowed 'General case' 0 N--CA 1.53 3.564 1 CA-C-O 110.384 -4.627 . . . . 0.0 110.205 -173.899 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.308 51.6 tp10 -60.41 -63.7 3.96 Favored Pre-proline 0 N--CA 1.537 3.9 1 CA-C-O 111.67 -4.014 . . . . 0.0 112.74 -163.305 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.265 8.1 Cg_endo -72.9 -55.59 0.1 OUTLIER 'Trans proline' 0 N--CA 1.424 -2.599 1 CA-C-O 108.047 -5.064 . . . . 0.0 121.163 172.839 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.253 8.4 m -71.86 -36.84 70.25 Favored 'General case' 0 CA--C 1.601 2.917 0 CA-C-N 124.025 3.102 . . . . 0.0 118.96 -171.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.455 ' SG ' ' NE ' ' A' ' 12' ' ' ARG 0.521 19.1 m -66.79 -27.67 67.76 Favored 'General case' 1 CA--C 1.642 4.495 0 CA-C-N 110.618 -2.992 . . . . 0.0 114.87 170.554 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -64.67 -46.96 80.23 Favored 'General case' 1 N--CA 1.613 7.72 0 O-C-N 118.684 -2.51 . . . . 0.0 107.821 173.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -68.93 -28.23 66.47 Favored 'General case' 0 C--N 1.363 1.174 0 O-C-N 120.902 -1.124 . . . . 0.0 112.899 172.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.455 ' NE ' ' SG ' ' A' ' 9' ' ' CYS 0.378 0.1 OUTLIER -72.76 -28.14 62.44 Favored 'General case' 1 N--CA 1.568 5.451 1 CA-C-O 106.651 -6.404 . . . . 0.0 108.68 164.951 . . . . . . . . 6 4 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.459 44.1 m -59.52 -31.17 69.13 Favored 'General case' 2 C--N 1.238 -4.256 1 CA-C-N 127.969 4.895 . . . . 0.0 115.529 159.156 . . . . . . . . 4 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 1.525 ' C ' ' CA ' ' A' ' 14' ' ' ARG 0.445 2.7 mpt_? -66.46 -32.42 73.78 Favored 'General case' 2 CA--C 1.771 9.476 1 CA-C-O 110.494 -4.574 . . . . 0.0 102.504 162.025 . . . . . . . . 5 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.519 66.6 m170 -47.89 -33.84 8.09 Favored 'General case' 0 C--N 1.37 1.477 0 CA-C-N 123.167 2.712 . . . . 0.0 117.511 162.439 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -49.0 96.45 Favored Pre-proline 0 CA--C 1.486 -1.502 0 O-C-N 117.964 -2.96 . . . . 0.0 112.233 -167.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.445 3.6 Cg_exo -46.48 -68.99 0.09 OUTLIER 'Trans proline' 2 C--N 1.442 5.468 1 O-C-N 112.4 -4.579 . . . . 0.0 115.631 165.748 . . . . . . . . 4 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 19' ' ' GLN 0.384 4.5 pp -44.93 -46.18 10.85 Favored 'General case' 2 C--N 1.516 7.821 0 C-N-CA 126.103 1.761 . . . . 0.0 111.684 174.399 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.49 ' N ' HD12 ' A' ' 18' ' ' LEU 0.34 0.1 OUTLIER 55.0 14.98 1.03 Allowed 'General case' 0 C--O 1.285 2.925 1 N-CA-C 133.115 8.191 . . . . 0.0 133.115 174.117 . . . . . . . . 5 4 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -92.25 -3.15 55.9 Favored 'General case' 2 CA--C 1.666 5.439 0 O-C-N 120.135 -1.603 . . . . 0.0 110.15 166.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.56 36.37 2.19 Favored 'General case' 0 N--CA 1.536 3.842 1 N-CA-C 122.315 4.191 . . . . 0.0 122.315 166.009 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.251 0.0 OUTLIER -62.3 -23.11 66.55 Favored 'General case' 1 C--O 1.306 4.063 1 CA-C-N 106.76 -4.746 . . . . 0.0 119.681 179.967 . . . . . . . . 5 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.454 17.7 p -91.86 -69.84 0.72 Allowed 'General case' 0 CA--C 1.438 -3.353 0 C-N-CA 129.525 3.13 . . . . 0.0 112.66 162.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.0 85.61 0.08 OUTLIER Glycine 1 C--N 1.427 5.63 0 CA-C-O 115.236 -2.98 . . . . 0.0 109.289 171.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -73.49 81.31 1.82 Allowed 'Trans proline' 1 CA--C 1.638 5.716 1 O-C-N 129.87 4.616 . . . . 0.0 117.196 179.514 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.546 ' CB ' ' CG ' ' A' ' 26' ' ' LEU . 5.1 mp -138.23 -78.22 0.36 Allowed 'General case' 1 CA--C 1.713 7.216 2 C-N-CA 133.753 4.821 . . . . 0.0 98.062 -175.304 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 22.3 p -125.47 162.34 45.05 Favored Pre-proline 0 N--CA 1.516 2.851 0 O-C-N 128.366 3.541 . . . . 0.0 120.428 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.298 7.1 Cg_endo -76.92 79.12 3.19 Favored 'Trans proline' 1 CA--C 1.648 6.2 0 C-N-CA 123.594 2.863 . . . . 0.0 116.323 -173.057 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.427 . . 48.89 43.28 21.44 Favored 'General case' 2 N--CA 1.602 7.133 0 CA-C-O 126.082 2.849 . . . . 0.0 117.118 177.846 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.58 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.338 8.6 t -74.57 -7.34 52.81 Favored 'General case' 0 C--N 1.282 -2.365 1 CA-C-N 106.446 -4.888 . . . . 0.0 113.218 171.59 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -74.36 -49.32 23.23 Favored 'General case' 0 N--CA 1.414 -2.27 1 CA-C-O 110.547 -4.549 . . . . 0.0 104.433 173.381 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -63.07 -5.2 2.83 Favored 'General case' 1 N--CA 1.551 4.6 2 CA-C-N 127.553 4.706 . . . . 0.0 118.255 175.521 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.325 . . -83.14 -39.71 20.71 Favored 'General case' 0 N--CA 1.53 3.565 1 CA-C-O 111.03 -4.319 . . . . 0.0 112.945 166.059 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.7 m -47.3 -39.17 14.07 Favored 'General case' 0 N--CA 1.529 3.506 1 CA-C-O 109.941 -4.838 . . . . 0.0 113.75 168.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.269 5.1 mp -55.91 -38.98 70.95 Favored 'General case' 0 CA--C 1.611 3.292 1 O-C-N 132.834 6.334 . . . . 0.0 121.263 168.031 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.58 -52.84 62.24 Favored Pre-proline 0 CA--C 1.6 2.875 1 CA-C-N 126.953 4.433 . . . . 0.0 109.356 -176.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -57.68 -26.08 71.16 Favored 'Trans proline' 0 C--N 1.409 3.741 1 O-C-N 111.638 -4.98 . . . . 0.0 115.177 164.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.299 3.2 pt-20 . . . . . 0 N--CA 1.493 1.706 0 CA-C-N 125.67 3.85 . . . . 0.0 109.19 167.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.315 9.6 t . . . . . 1 CA--C 1.727 7.752 0 CA-C-O 114.168 -2.825 . . . . 0.0 107.36 . . . . . . . . . 2 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.502 7.2 pt-20 -44.23 -74.4 0.04 OUTLIER 'General case' 1 C--N 1.45 4.948 0 N-CA-C 119.374 3.101 . . . . 0.0 119.374 -177.534 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.459 51.5 tp10 -57.49 -65.34 1.84 Allowed Pre-proline 1 C--N 1.49 6.716 0 CA-C-O 115.756 -2.069 . . . . 0.0 111.779 -167.59 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -75.8 -58.18 0.05 OUTLIER 'Trans proline' 0 N--CA 1.531 3.732 1 CA-C-O 107.232 -5.403 . . . . 0.0 120.48 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.257 6.3 m -67.06 -40.08 87.01 Favored 'General case' 0 C--N 1.39 2.338 0 CA-C-N 125.176 3.625 . . . . 0.0 112.899 -172.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.531 ' SG ' ' NE ' ' A' ' 12' ' ' ARG 0.495 33.4 m -65.24 -32.37 74.01 Favored 'General case' 1 CA--C 1.666 5.423 0 C-N-CA 130.731 3.612 . . . . 0.0 113.829 175.501 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.301 34.1 ttt-85 -65.46 -59.04 4.41 Favored 'General case' 0 N--CA 1.53 3.536 0 CA-C-O 115.101 -2.38 . . . . 0.0 110.593 170.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -52.3 -37.41 55.68 Favored 'General case' 1 N--CA 1.666 10.369 0 O-C-N 126.506 2.379 . . . . 0.0 109.686 165.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.531 ' NE ' ' SG ' ' A' ' 9' ' ' CYS 0.824 1.2 ttp-105 -54.82 -40.16 69.25 Favored 'General case' 0 C--O 1.178 -2.694 0 N-CA-C 117.978 2.585 . . . . 0.0 117.978 162.524 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.358 45.1 m -63.67 -25.21 68.11 Favored 'General case' 1 N--CA 1.554 4.74 0 O-C-N 117.752 -3.092 . . . . 0.0 111.1 166.684 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -72.54 -25.01 61.21 Favored 'General case' 1 CA--C 1.685 6.141 0 O-C-N 117.118 -3.489 . . . . 0.0 108.58 164.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.3 59.2 m170 -54.26 -25.0 20.94 Favored 'General case' 1 C--N 1.428 4.001 0 O-C-N 119.497 -2.002 . . . . 0.0 114.38 161.908 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.269 0.2 OUTLIER -53.42 -56.67 22.21 Favored Pre-proline 0 N--CA 1.49 1.54 1 CA-C-O 107.788 -5.863 . . . . 0.0 112.182 -175.797 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -54.41 -56.09 2.8 Favored 'Trans proline' 1 CA--C 1.693 8.459 1 CA-C-O 110.177 -4.176 . . . . 0.0 117.763 175.423 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 19' ' ' GLN 0.578 4.5 pp -44.46 -44.69 8.68 Favored 'General case' 0 C--N 1.413 3.368 1 O-C-N 131.879 5.737 . . . . 0.0 119.645 169.643 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.453 ' N ' HD12 ' A' ' 18' ' ' LEU 0.406 0.4 OUTLIER 63.83 3.11 1.5 Allowed 'General case' 1 CA--C 1.662 5.277 1 N-CA-C 125.388 5.329 . . . . 0.0 125.388 163.383 . . . . . . . . 6 4 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.319 11.9 p90 -79.67 -14.88 58.47 Favored 'General case' 1 CA--C 1.657 5.062 0 CA-C-O 117.089 -1.434 . . . . 0.0 114.644 166.929 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.07 46.25 0.93 Allowed 'General case' 2 N--CA 1.564 5.234 0 CA-C-O 127.059 3.314 . . . . 0.0 116.015 169.154 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HD2' ' O ' ' A' ' 19' ' ' GLN 0.593 0.0 OUTLIER -56.65 -34.84 67.72 Favored 'General case' 1 N--CA 1.543 4.213 0 CA-C-N 110.36 -3.109 . . . . 0.0 116.796 172.587 . . . . . . . . 5 4 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 p -109.49 -66.49 1.06 Allowed 'General case' 0 CA--C 1.619 3.6 3 O-C-N 130.698 4.999 . . . . 0.0 98.088 -170.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.79 103.27 0.02 OUTLIER Glycine 3 CA--C 1.609 5.914 1 N-CA-C 101.832 -4.507 . . . . 0.0 101.832 166.978 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -94.55 84.44 0.13 Allowed 'Trans proline' 1 C--N 1.449 5.817 0 C-N-CA 124.025 3.15 . . . . 0.0 109.99 -178.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -137.1 -75.05 0.42 Allowed 'General case' 1 CA--C 1.645 4.613 1 N-CA-C 96.423 -5.399 . . . . 0.0 96.423 172.538 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.421 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 31.9 p -118.36 163.29 25.95 Favored Pre-proline 0 CA--C 1.462 -2.44 2 O-C-N 112.207 -6.558 . . . . 0.0 112.821 -167.795 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -82.89 76.02 4.25 Favored 'Trans proline' 2 N--CA 1.652 10.821 0 O-C-N 115.025 -3.197 . . . . 0.0 117.013 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.47 . . 60.63 39.42 17.78 Favored 'General case' 2 N--CA 1.648 9.452 1 CA-C-O 135.543 7.354 . . . . 0.0 116.442 170.845 . . . . . . . . 4 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.421 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.544 17.1 t -79.32 -3.13 44.66 Favored 'General case' 1 CA--C 1.646 4.646 1 CA-C-N 105.223 -5.444 . . . . 0.0 109.386 176.551 . . . . . . . . 5 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -53.78 18.07 Favored 'General case' 0 C--O 1.185 -2.312 0 N-CA-C 103.057 -2.942 . . . . 0.0 103.057 171.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -55.71 -25.44 40.15 Favored 'General case' 0 CA--C 1.623 3.755 1 CA-C-N 128.113 4.96 . . . . 0.0 113.35 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.518 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.364 . . -63.26 -45.6 90.75 Favored 'General case' 1 C--N 1.503 7.253 0 CA-C-O 112.026 -3.845 . . . . 0.0 116.134 169.718 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 m -49.23 -39.01 28.39 Favored 'General case' 1 N--CA 1.545 4.284 1 O-C-N 129.479 4.237 . . . . 0.0 117.111 172.292 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -56.37 -43.7 79.45 Favored 'General case' 0 CA--C 1.61 3.263 0 O-C-N 128.952 3.908 . . . . 0.0 111.727 169.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -66.7 -52.94 31.06 Favored Pre-proline 2 N--CA 1.558 4.974 2 CA-C-N 131.923 6.692 . . . . 0.0 105.765 -170.442 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.518 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.288 1.7 Cg_endo -52.28 -23.76 19.07 Favored 'Trans proline' 1 CA--C 1.64 5.811 1 C-N-CA 125.62 4.213 . . . . 0.0 110.541 167.489 . . . . . . . . 5 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.661 2.2 pt-20 . . . . . 0 N--CA 1.535 3.786 0 CA-C-O 114.447 -2.692 . . . . 0.0 106.918 172.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.38 2.6 t . . . . . 0 C--O 1.181 -2.542 0 N-CA-C 120.214 3.412 . . . . 0.0 120.214 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.327 2.9 pt-20 -61.87 -61.42 2.51 Favored 'General case' 1 N--CA 1.628 8.464 0 O-C-N 128.812 3.82 . . . . 0.0 120.189 -175.587 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -68.66 -58.49 6.82 Favored Pre-proline 0 CA--C 1.598 2.799 0 O-C-N 116.734 -3.729 . . . . 0.0 107.805 -173.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.387 52.6 Cg_endo -70.79 -61.32 0.05 OUTLIER 'Trans proline' 0 CA--C 1.592 3.402 2 O-C-N 111.991 -4.794 . . . . 0.0 122.005 -178.529 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 m -68.96 -42.0 77.22 Favored 'General case' 0 N--CA 1.531 3.598 0 CA-C-O 114.194 -2.812 . . . . 0.0 114.211 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.581 99.9 m -62.05 -40.23 95.06 Favored 'General case' 0 N--CA 1.526 3.354 1 O-C-N 131.621 5.575 . . . . 0.0 114.506 169.191 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -63.22 -60.57 3.23 Favored 'General case' 2 N--CA 1.573 5.695 1 CA-C-O 111.656 -4.021 . . . . 0.0 110.855 166.379 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -49.9 -33.87 18.63 Favored 'General case' 0 N--CA 1.519 2.997 1 CA-C-N 126.467 4.212 . . . . 0.0 113.557 167.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 1.481 ' CA ' ' C ' ' A' ' 12' ' ' ARG 0.312 0.2 OUTLIER -65.35 -33.24 75.5 Favored 'General case' 2 CA--C 1.799 10.548 0 O-C-N 118.139 -2.85 . . . . 0.0 106.542 169.164 . . . . . . . . 5 4 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.315 40.1 m -64.68 -27.82 69.19 Favored 'General case' 0 C--N 1.376 1.739 0 C-N-CA 112.539 -3.665 . . . . 0.0 113.553 169.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.409 2.6 mpt_? -59.71 -25.93 65.2 Favored 'General case' 1 CA--C 1.633 4.161 0 CA-C-O 126.253 2.93 . . . . 0.0 115.119 161.489 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -62.4 -24.14 67.23 Favored 'General case' 0 N--CA 1.505 2.324 1 O-C-N 115.056 -4.778 . . . . 0.0 114.44 165.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.36 0.3 OUTLIER -50.84 -47.71 85.46 Favored Pre-proline 0 CA--C 1.567 1.596 0 C-N-CA 125.123 1.369 . . . . 0.0 111.271 -176.454 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.506 10.8 Cg_endo -56.85 -50.45 11.53 Favored 'Trans proline' 2 N--CA 1.603 7.932 2 O-C-N 111.342 -5.136 . . . . 0.0 109.89 167.283 . . . . . . . . 4 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.315 4.6 pp -63.07 -44.59 95.39 Favored 'General case' 1 N--CA 1.564 5.227 1 O-C-N 109.989 -7.944 . . . . 0.0 112.484 -171.673 . . . . . . . . 4 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.31 7.64 4.37 Favored 'General case' 0 C--N 1.423 3.77 2 O-C-N 130.695 4.997 . . . . 0.0 121.878 170.881 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -88.03 4.17 46.13 Favored 'General case' 0 N--CA 1.523 3.186 1 CA-C-O 111.414 -4.136 . . . . 0.0 115.923 170.878 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.48 43.33 1.25 Allowed 'General case' 0 CA--C 1.602 2.955 0 CA-C-N 121.346 1.885 . . . . 0.0 111.009 164.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -34.1 68.07 Favored 'General case' 0 CA--C 1.62 3.657 0 N-CA-C 119.525 3.157 . . . . 0.0 119.525 170.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -97.28 -79.09 0.46 Allowed 'General case' 0 N--CA 1.537 3.875 1 N-CA-C 99.293 -4.336 . . . . 0.0 99.293 178.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.13 95.71 0.65 Allowed Glycine 1 N--CA 1.562 7.088 0 CA-C-O 113.832 -3.76 . . . . 0.0 119.348 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -102.4 69.7 0.03 OUTLIER 'Trans proline' 0 N--CA 1.505 2.168 1 CA-C-N 128.318 6.059 . . . . 0.0 116.636 -161.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -120.83 -72.4 0.69 Allowed 'General case' 1 CA--C 1.673 5.679 1 CA-C-N 105.363 -5.38 . . . . 0.0 105.585 174.912 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 29.9 p -126.42 140.16 36.52 Favored Pre-proline 2 CA--C 1.698 6.64 1 CA-C-O 108.013 -5.756 . . . . 0.0 117.449 -176.816 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.277 24.2 Cg_endo -54.24 80.53 0.03 OUTLIER 'Trans proline' 0 CA--C 1.581 2.834 1 N-CA-C 125.738 5.245 . . . . 0.0 125.738 -177.263 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 1.464 ' CA ' ' C ' ' A' ' 29' ' ' ALA 0.283 . . 46.35 56.53 6.22 Favored 'General case' 1 CA--C 1.837 12.0 0 O-C-N 126.375 2.297 . . . . 0.0 105.681 171.3 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.664 ' N ' ' CA ' ' A' ' 29' ' ' ALA 0.482 49.6 t -78.85 -11.17 59.98 Favored 'General case' 0 N--CA 1.52 3.059 2 CA-C-N 106.763 -4.744 . . . . 0.0 112.746 166.468 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.413 1.7 tmm? -59.33 -49.36 78.11 Favored 'General case' 0 CA--C 1.611 3.3 0 N-CA-C 118.458 2.762 . . . . 0.0 118.458 167.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -65.76 -22.8 66.62 Favored 'General case' 1 N--CA 1.559 5.002 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 169.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.459 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.298 . . -67.05 -37.47 84.12 Favored 'General case' 1 N--CA 1.549 4.52 0 O-C-N 119.176 -2.203 . . . . 0.0 115.912 165.839 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 m -61.47 -35.08 76.62 Favored 'General case' 2 N--CA 1.58 6.042 0 CA-C-N 120.935 1.698 . . . . 0.0 111.941 176.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.581 ' C ' ' CA ' ' A' ' 36' ' ' GLN . 2.6 mp -61.02 -43.88 98.24 Favored 'General case' 0 C--O 1.264 1.851 0 CA-C-N 111.532 -2.576 . . . . 0.0 113.391 171.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 1.503 ' N ' ' CA ' ' A' ' 36' ' ' GLN 0.668 0.0 OUTLIER -54.15 -54.21 50.16 Favored Pre-proline 1 N--CA 1.71 12.567 0 CA-C-N 125.55 3.796 . . . . 0.0 117.225 173.968 . . . . . . . . 5 4 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.328 9.4 Cg_endo -59.61 -30.03 91.31 Favored 'Trans proline' 1 C--N 1.465 6.672 0 C-N-CA 124.121 3.214 . . . . 0.0 116.038 161.951 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.462 ' HG2' ' HA ' ' A' ' 35' ' ' LEU 0.308 3.8 pt-20 . . . . . 2 CA--C 1.708 7.021 0 C-N-CA 112.748 -3.581 . . . . 0.0 114.581 160.227 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER . . . . . 0 CA--C 1.614 3.405 0 N-CA-C 118.911 2.93 . . . . 0.0 118.911 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.537 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.397 13.1 pt-20 -56.6 -56.33 22.69 Favored 'General case' 1 N--CA 1.373 -4.309 1 CA-C-N 107.627 -4.351 . . . . 0.0 115.355 -166.774 . . . . . . . . 5 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.334 5.9 tp10 -73.46 -65.18 0.68 Allowed Pre-proline 1 N--CA 1.561 5.121 1 CA-C-O 111.155 -4.259 . . . . 0.0 109.591 -175.004 . . . . . . . . 4 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -60.02 -63.93 0.11 Allowed 'Trans proline' 0 CA--C 1.576 2.592 0 N-CA-C 122.324 3.932 . . . . 0.0 122.324 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 m -64.47 -51.3 63.72 Favored 'General case' 0 C--O 1.296 3.535 0 C-N-CA 130.26 3.424 . . . . 0.0 114.889 -176.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.1 m -67.82 -35.47 78.66 Favored 'General case' 0 N--CA 1.51 2.539 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 170.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -58.65 -38.72 78.75 Favored 'General case' 1 N--CA 1.619 7.994 0 CA-C-O 111.886 -3.912 . . . . 0.0 111.271 168.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.391 3.1 m-80 -63.98 -37.29 86.89 Favored 'General case' 0 C--O 1.273 2.339 0 CA-C-N 121.778 2.081 . . . . 0.0 115.095 173.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.396 0.2 OUTLIER -55.53 -36.74 67.09 Favored 'General case' 0 C--O 1.182 -2.473 0 O-C-N 127.336 2.897 . . . . 0.0 115.121 165.239 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.4 1.5 m -54.92 -34.57 63.28 Favored 'General case' 1 CA--C 1.645 4.6 0 CA-C-N 121.749 2.068 . . . . 0.0 112.892 166.628 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.491 0.7 OUTLIER -62.24 -31.82 72.43 Favored 'General case' 1 CA--C 1.658 5.112 0 C-N-CA 128.987 2.915 . . . . 0.0 107.246 173.476 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.307 18.1 m170 -66.4 -22.3 66.24 Favored 'General case' 1 N--CA 1.569 5.517 0 CA-C-O 112.597 -3.573 . . . . 0.0 113.368 165.519 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -38.82 72.71 Favored Pre-proline 2 N--CA 1.622 8.17 1 CA-C-O 110.126 -4.75 . . . . 0.0 110.996 -179.812 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -70.45 -26.75 24.0 Favored 'Trans proline' 0 CA--C 1.568 2.207 1 CA-C-O 103.153 -7.103 . . . . 0.0 115.376 161.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.525 HD12 ' H ' ' A' ' 20' ' ' PHE 0.264 3.9 pp -70.71 -40.05 73.06 Favored 'General case' 1 N--CA 1.636 8.849 2 CA-C-N 129.156 5.434 . . . . 0.0 113.703 172.24 . . . . . . . . 5 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.495 0.0 OUTLIER 69.86 15.05 7.95 Favored 'General case' 1 N--CA 1.565 5.277 1 CA-C-N 107.915 -4.22 . . . . 0.0 111.367 164.122 . . . . . . . . 5 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.525 ' H ' HD12 ' A' ' 18' ' ' LEU . 2.9 p90 -100.27 -2.08 34.69 Favored 'General case' 0 C--N 1.422 3.741 2 CA-C-N 127.076 4.489 . . . . 0.0 122.177 173.539 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.283 40.4 t -116.82 55.63 0.82 Allowed 'General case' 0 CA--C 1.606 3.117 0 CA-C-O 115.215 -2.326 . . . . 0.0 108.187 169.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -54.07 12.32 Favored 'General case' 0 N--CA 1.527 3.408 1 CA-C-O 132.806 6.05 . . . . 0.0 110.933 167.566 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.3 p -82.98 -74.84 0.34 Allowed 'General case' 0 C--N 1.424 3.846 1 O-C-N 114.798 -4.939 . . . . 0.0 102.515 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.86 109.98 0.01 OUTLIER Glycine 1 N--CA 1.56 6.966 1 CA-C-O 110.375 -5.681 . . . . 0.0 117.786 -166.008 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.36 0.5 OUTLIER -90.83 62.04 1.39 Allowed 'Trans proline' 0 CA--C 1.58 2.807 1 CA-C-N 125.408 4.604 . . . . 0.0 118.038 -172.375 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mp -126.69 -71.7 0.67 Allowed 'General case' 0 C--O 1.282 2.793 0 N-CA-C 103.374 -2.825 . . . . 0.0 103.374 -173.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 1.536 ' CA ' ' C ' ' A' ' 27' ' ' CYS . 13.3 p -115.87 145.26 34.35 Favored Pre-proline 1 CA--C 1.756 8.881 0 O-C-N 118.004 -2.935 . . . . 0.0 115.224 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -85.62 72.03 4.38 Favored 'Trans proline' 1 N--CA 1.594 7.427 0 C-N-CA 123.029 2.486 . . . . 0.0 116.643 -161.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.414 . . 69.6 56.91 0.34 Allowed 'General case' 0 CA--C 1.575 1.907 0 O-C-N 116.426 -3.922 . . . . 0.0 111.871 -175.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' A' ' 5' ' ' GLU 0.411 42.3 t -91.09 -6.58 53.54 Favored 'General case' 1 N--CA 1.571 5.582 0 O-C-N 116.72 -3.738 . . . . 0.0 114.236 175.709 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.6 tmm? -63.76 -43.83 95.24 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 129.365 3.066 . . . . 0.0 112.06 175.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -53.11 -42.45 65.99 Favored 'General case' 0 C--N 1.403 2.925 0 O-C-N 126.511 2.382 . . . . 0.0 113.454 168.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.574 ' O ' ' HD2' ' A' ' 37' ' ' PRO . . . -55.65 -35.74 66.29 Favored 'General case' 0 N--CA 1.498 1.933 2 O-C-N 110.044 -7.91 . . . . 0.0 120.416 169.346 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.255 22.5 m -63.35 -39.4 94.43 Favored 'General case' 0 N--CA 1.53 3.531 0 C-N-CA 124.074 0.95 . . . . 0.0 112.31 168.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mp -59.79 -43.99 94.16 Favored 'General case' 0 C--N 1.383 2.03 1 CA-C-O 110.488 -4.577 . . . . 0.0 111.028 178.067 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -69.45 -42.06 19.12 Favored Pre-proline 1 CA--C 1.643 4.548 1 CA-C-N 131.366 6.439 . . . . 0.0 115.576 174.282 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.574 ' HD2' ' O ' ' A' ' 33' ' ' ALA . 2.5 Cg_endo -70.72 -10.86 28.65 Favored 'Trans proline' 2 CA--C 1.705 9.05 0 CA-C-N 127.149 3.589 . . . . 0.0 118.588 169.19 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.453 11.9 pt-20 . . . . . 1 C--O 1.309 4.207 2 O-C-N 137.888 9.492 . . . . 0.0 113.696 162.113 . . . . . . . . 3 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 2 C--O 1.317 4.617 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.507 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.334 10.0 pt-20 -57.79 -51.97 67.37 Favored 'General case' 0 N--CA 1.537 3.89 0 O-C-N 126.068 2.105 . . . . 0.0 107.958 -163.477 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.524 4.9 tp10 -74.62 -55.57 2.58 Favored Pre-proline 0 N--CA 1.534 3.763 2 O-C-N 113.382 -5.824 . . . . 0.0 117.235 -173.56 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -69.61 -65.07 0.04 OUTLIER 'Trans proline' 1 N--CA 1.596 7.55 0 N-CA-C 118.916 2.622 . . . . 0.0 118.916 176.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.295 0.3 OUTLIER -53.9 -55.0 30.91 Favored 'General case' 0 C--N 1.403 2.93 0 N-CA-C 119.271 3.063 . . . . 0.0 119.271 179.026 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.2 m -71.39 -34.78 70.7 Favored 'General case' 0 C--O 1.301 3.782 1 O-C-N 130.028 4.58 . . . . 0.0 110.375 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.3 ttt-85 -58.21 -34.47 70.43 Favored 'General case' 0 C--N 1.396 2.602 2 O-C-N 112.557 -6.339 . . . . 0.0 111.548 171.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -71.01 -36.25 72.35 Favored 'General case' 1 N--CA 1.552 4.675 0 CA-C-O 116.309 -1.805 . . . . 0.0 107.296 174.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.461 0.2 OUTLIER -56.29 -34.54 66.56 Favored 'General case' 0 C--O 1.274 2.376 0 CA-C-O 113.252 -3.261 . . . . 0.0 114.908 167.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -61.92 -24.12 66.77 Favored 'General case' 0 N--CA 1.524 3.271 1 CA-C-N 126.684 4.311 . . . . 0.0 117.204 163.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -69.44 -29.74 67.52 Favored 'General case' 0 C--O 1.288 3.102 0 O-C-N 119.432 -2.042 . . . . 0.0 109.147 165.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.341 19.3 m170 -55.76 -30.93 62.06 Favored 'General case' 0 C--N 1.413 3.363 0 CA-C-N 122.539 2.427 . . . . 0.0 116.831 160.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.332 2.3 tt -47.58 -31.1 1.85 Allowed Pre-proline 1 C--N 1.433 4.239 0 C-N-CA 127.477 2.311 . . . . 0.0 113.092 -177.208 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -73.19 -38.67 2.58 Favored 'Trans proline' 0 CA--C 1.498 -1.315 1 C-N-CA 129.432 6.755 . . . . 0.0 115.531 161.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.455 HD12 ' H ' ' A' ' 20' ' ' PHE . 3.1 pp -69.26 -38.09 78.26 Favored 'General case' 2 CA--C 1.695 6.536 1 CA-C-N 126.245 4.112 . . . . 0.0 105.569 176.472 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.281 0.0 OUTLIER 61.21 24.06 14.2 Favored 'General case' 0 CA--C 1.623 3.78 0 C-N-CA 128.999 2.92 . . . . 0.0 113.644 168.46 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.455 ' H ' HD12 ' A' ' 18' ' ' LEU 0.445 1.4 p90 -95.84 -16.34 21.91 Favored 'General case' 1 N--CA 1.578 5.972 0 N-CA-C 121.057 3.725 . . . . 0.0 121.057 171.429 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.309 28.6 t -109.92 48.07 0.91 Allowed 'General case' 0 N--CA 1.518 2.969 0 N-CA-C 120.018 3.34 . . . . 0.0 120.018 169.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.276 0.0 OUTLIER -50.37 -51.0 49.81 Favored 'General case' 1 C--N 1.463 5.527 0 CA-C-N 110.71 -2.95 . . . . 0.0 110.853 177.574 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -81.32 -70.08 0.56 Allowed 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 108.677 -3.874 . . . . 0.0 103.633 173.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.03 120.16 0.02 OUTLIER Glycine 1 CA--C 1.614 6.262 2 CA-C-O 111.499 -5.056 . . . . 0.0 114.305 -165.345 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -101.84 55.81 0.03 OUTLIER 'Trans proline' 0 N--CA 1.528 3.526 1 CA-C-N 132.276 8.038 . . . . 0.0 112.084 -176.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mp -115.53 -60.9 1.82 Allowed 'General case' 0 CA--C 1.595 2.675 0 CA-C-O 123.572 1.653 . . . . 0.0 111.797 174.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.0 p -119.56 117.64 32.69 Favored Pre-proline 1 N--CA 1.593 6.689 0 CA-C-N 111.11 -2.768 . . . . 0.0 114.804 -177.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -58.58 75.12 0.04 OUTLIER 'Trans proline' 2 C--N 1.49 8.011 2 C-N-CA 129.462 6.775 . . . . 0.0 125.715 -172.936 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 1.544 ' CA ' ' C ' ' A' ' 29' ' ' ALA 0.409 . . 62.06 57.14 2.13 Favored 'General case' 2 CA--C 1.741 8.318 0 CA-C-O 124.212 1.958 . . . . 0.0 111.655 -175.539 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.507 ' SG ' ' HB3' ' A' ' 5' ' ' GLU 0.374 19.4 t -94.73 -2.16 51.63 Favored 'General case' 1 N--CA 1.54 4.054 0 O-C-N 118.992 -2.317 . . . . 0.0 111.885 176.85 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.264 4.9 tmm? -68.64 -37.56 79.78 Favored 'General case' 0 C--N 1.421 3.716 0 O-C-N 118.384 -2.698 . . . . 0.0 113.265 176.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -63.08 -30.98 72.02 Favored 'General case' 1 CA--C 1.7 6.741 0 O-C-N 128.081 3.363 . . . . 0.0 108.643 176.117 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.65 -30.09 67.7 Favored 'General case' 1 N--CA 1.607 7.388 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 174.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.257 6.6 m -68.92 -36.12 77.63 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 169.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mp -65.75 -31.31 72.22 Favored 'General case' 0 N--CA 1.502 2.149 1 CA-C-O 109.847 -4.882 . . . . 0.0 114.512 177.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -70.82 -46.57 16.29 Favored Pre-proline 2 CA--C 1.67 5.567 0 CA-C-N 125.716 3.871 . . . . 0.0 119.827 163.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -67.72 -9.01 24.09 Favored 'Trans proline' 0 CA--C 1.469 -2.729 1 N-CA-C 125.231 5.05 . . . . 0.0 125.231 167.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.387 9.4 pt-20 . . . . . 0 CA--C 1.601 2.907 0 O-C-N 120.111 -1.618 . . . . 0.0 114.022 156.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.197 -1.709 0 CA-C-O 126.201 2.905 . . . . 0.0 116.961 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.553 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.424 9.1 pt-20 -48.65 -60.25 2.87 Favored 'General case' 1 N--CA 1.548 4.451 0 CA-C-N 109.969 -3.287 . . . . 0.0 112.714 -168.686 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.604 4.6 tp10 -65.05 -59.66 9.6 Favored Pre-proline 1 N--CA 1.561 5.11 2 O-C-N 114.712 -4.992 . . . . 0.0 113.816 -172.412 . . . . . . . . 4 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -77.19 -64.01 0.03 OUTLIER 'Trans proline' 0 CA--C 1.591 3.355 1 C-N-CA 126.292 4.661 . . . . 0.0 111.463 -174.086 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.261 0.2 OUTLIER -56.74 -48.98 76.58 Favored 'General case' 0 N--CA 1.511 2.599 1 N-CA-C 122.239 4.162 . . . . 0.0 122.239 -176.96 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.462 19.7 m -67.87 -40.09 83.66 Favored 'General case' 0 C--O 1.193 -1.909 1 C-N-CA 133.239 4.616 . . . . 0.0 115.102 172.832 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.4 ttt-85 -60.16 -45.6 92.54 Favored 'General case' 0 C--N 1.424 3.815 0 C-N-CA 117.365 -1.734 . . . . 0.0 110.215 168.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -61.09 -38.32 85.87 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 121.777 2.08 . . . . 0.0 109.418 171.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.472 0.2 OUTLIER -54.1 -38.02 64.92 Favored 'General case' 2 N--CA 1.568 5.469 0 CA-C-O 115.083 -2.389 . . . . 0.0 114.522 168.956 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.328 1.3 m -56.92 -42.94 80.87 Favored 'General case' 0 N--CA 1.529 3.495 0 O-C-N 124.89 1.369 . . . . 0.0 113.668 170.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.465 2.9 mtt180 -45.83 -40.51 9.89 Favored 'General case' 1 N--CA 1.556 4.841 0 C-N-CA 112.43 -3.708 . . . . 0.0 117.037 160.179 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -61.45 -24.34 66.49 Favored 'General case' 0 CA--C 1.624 3.821 1 O-C-N 130.739 5.024 . . . . 0.0 114.847 173.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.4 2.9 tt -47.21 -38.09 12.93 Favored Pre-proline 1 C--N 1.45 4.955 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -176.878 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.26 -39.69 22.05 Favored 'Trans proline' 1 CA--C 1.608 4.176 0 N-CA-C 119.412 2.812 . . . . 0.0 119.412 165.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.328 2.9 pp -63.24 -36.29 83.18 Favored 'General case' 1 CA--C 1.696 6.573 0 O-C-N 116.864 -3.648 . . . . 0.0 109.653 168.029 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 46.47 37.88 4.81 Favored 'General case' 0 C--O 1.266 1.963 0 N-CA-C 120.266 3.432 . . . . 0.0 120.266 177.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.466 4.0 p90 -104.52 -22.51 13.27 Favored 'General case' 1 N--CA 1.643 9.19 0 CA-C-O 114.439 -2.696 . . . . 0.0 113.318 173.67 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.508 13.5 t -100.14 43.7 1.05 Allowed 'General case' 0 C--O 1.302 3.82 0 O-C-N 128.64 3.713 . . . . 0.0 120.19 169.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.328 0.0 OUTLIER -51.71 -61.15 2.43 Favored 'General case' 1 CA--C 1.651 4.852 0 CA-C-N 109.599 -3.455 . . . . 0.0 109.945 -179.475 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.339 46.0 p -64.18 -61.97 1.92 Allowed 'General case' 0 C--N 1.377 1.769 2 O-C-N 134.471 7.357 . . . . 0.0 114.617 162.586 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.92 128.09 0.02 OUTLIER Glycine 1 CA--C 1.658 9.025 0 CA-C-O 114.948 -3.14 . . . . 0.0 107.971 -173.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -112.81 57.16 0.0 OUTLIER 'Trans proline' 2 N--CA 1.63 9.552 2 CA-C-N 130.155 6.978 . . . . 0.0 108.781 176.62 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.72 -61.94 1.67 Allowed 'General case' 2 CA--C 1.663 5.313 0 O-C-N 126.154 2.159 . . . . 0.0 110.037 167.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . 0.318 1.6 p -115.49 110.61 44.74 Favored Pre-proline 0 N--CA 1.529 3.514 0 O-C-N 128.642 3.714 . . . . 0.0 115.631 -175.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER -56.65 82.86 0.04 OUTLIER 'Trans proline' 2 N--CA 1.548 4.699 1 N-CA-C 131.19 7.342 . . . . 0.0 131.19 -176.106 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 1.512 ' CA ' ' C ' ' A' ' 29' ' ' ALA . . . 48.78 65.96 1.22 Allowed 'General case' 1 CA--C 1.77 9.439 0 O-C-N 128.909 3.881 . . . . 0.0 112.004 -168.705 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.572 ' N ' ' CA ' ' A' ' 29' ' ' ALA . 5.2 t -86.27 -11.68 51.62 Favored 'General case' 0 N--CA 1.527 3.395 0 C-N-CA 130.265 3.426 . . . . 0.0 109.731 172.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.309 5.0 tmm? -79.64 -28.37 40.86 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 126.131 2.144 . . . . 0.0 113.244 -175.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.326 8.0 pttt -62.65 -29.05 70.34 Favored 'General case' 1 CA--C 1.665 5.368 0 C-N-CA 125.52 1.528 . . . . 0.0 114.308 166.714 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.24 -34.17 65.72 Favored 'General case' 1 CA--C 1.691 6.396 1 O-C-N 130.346 4.779 . . . . 0.0 114.262 175.259 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.366 1.3 m -59.24 -46.04 89.55 Favored 'General case' 0 CA--C 1.627 3.937 0 CA-C-O 125.68 2.657 . . . . 0.0 113.302 169.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.682 ' C ' ' CA ' ' A' ' 36' ' ' GLN . 6.5 mp -55.39 -37.72 67.96 Favored 'General case' 0 C--O 1.292 3.329 0 N-CA-C 119.183 3.031 . . . . 0.0 119.183 174.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 1.532 ' N ' ' CA ' ' A' ' 36' ' ' GLN . 58.0 mt-30 -64.62 -68.23 0.84 Allowed Pre-proline 2 N--CA 1.676 10.863 0 C-N-CA 116.783 -1.967 . . . . 0.0 114.103 165.004 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -50.48 -18.5 3.8 Favored 'Trans proline' 0 C--N 1.388 2.611 2 C-N-CA 128.686 6.257 . . . . 0.0 116.582 176.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.353 13.0 pt-20 . . . . . 0 C--O 1.303 3.912 1 CA-C-O 130.141 4.781 . . . . 0.0 110.054 161.284 . . . . . . . . 2 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 C--O 1.269 2.101 0 N-CA-C 120.457 3.503 . . . . 0.0 120.457 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.486 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.358 11.5 pt-20 -50.8 -63.99 0.95 Allowed 'General case' 0 C--N 1.259 -3.367 0 CA-C-N 123.414 2.825 . . . . 0.0 117.878 -170.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -68.99 -55.67 10.16 Favored Pre-proline 2 CA--C 1.692 6.43 1 CA-C-O 109.205 -5.188 . . . . 0.0 113.536 -176.306 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -71.14 -56.82 0.11 Allowed 'Trans proline' 0 CA--C 1.559 1.733 0 O-C-N 126.163 2.665 . . . . 0.0 114.418 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -69.85 -45.86 66.85 Favored 'General case' 1 CA--C 1.721 7.556 0 C-N-CA 125.785 1.634 . . . . 0.0 114.502 -162.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.377 5.5 m -73.01 -37.41 66.97 Favored 'General case' 2 N--CA 1.585 6.297 3 O-C-N 134.004 7.065 . . . . 0.0 114.907 171.288 . . . . . . . . 4 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -55.94 -52.27 64.72 Favored 'General case' 1 N--CA 1.575 5.821 0 N-CA-C 117.383 2.364 . . . . 0.0 117.383 159.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -55.84 -36.87 68.0 Favored 'General case' 0 CA--C 1.605 3.058 0 CA-C-N 119.779 1.172 . . . . 0.0 113.807 162.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.367 0.6 OUTLIER -58.02 -33.69 69.22 Favored 'General case' 2 N--CA 1.595 6.786 1 O-C-N 116.249 -4.032 . . . . 0.0 117.548 166.601 . . . . . . . . 5 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.2 m -63.15 -34.21 77.13 Favored 'General case' 1 CA--C 1.673 5.701 1 O-C-N 116.222 -4.049 . . . . 0.0 113.345 174.051 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.259 1.3 mtt180 -55.54 -29.18 58.47 Favored 'General case' 0 N--CA 1.404 -2.766 0 C-N-CA 117.273 -1.771 . . . . 0.0 115.184 159.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.356 19.0 m170 -66.16 -27.89 68.36 Favored 'General case' 1 CA--C 1.651 4.836 0 CA-C-O 114.956 -2.449 . . . . 0.0 110.132 169.843 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.264 0.7 OUTLIER -48.98 -35.43 10.15 Favored Pre-proline 2 N--CA 1.566 5.368 0 CA-C-O 113.056 -3.354 . . . . 0.0 108.504 -172.233 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.58 -33.6 13.24 Favored 'Trans proline' 1 CA--C 1.714 9.5 1 C-N-CA 130.151 7.234 . . . . 0.0 117.44 170.444 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.458 2.6 pp -67.57 -40.36 84.89 Favored 'General case' 0 N--CA 1.524 3.253 0 CA-C-O 114.409 -2.71 . . . . 0.0 110.764 158.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 42.14 41.7 2.15 Favored 'General case' 1 N--CA 1.597 6.897 1 N-CA-C 123.177 4.51 . . . . 0.0 123.177 -177.089 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -111.04 -18.04 13.13 Favored 'General case' 1 C--N 1.445 4.751 0 O-C-N 120.598 -1.314 . . . . 0.0 113.498 174.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 t -112.86 55.02 0.7 Allowed 'General case' 1 CA--C 1.647 4.687 1 CA-C-O 131.707 5.527 . . . . 0.0 108.951 174.23 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.301 0.0 OUTLIER -56.82 -66.81 0.38 Allowed 'General case' 0 C--O 1.273 2.328 0 CA-C-N 108.504 -3.953 . . . . 0.0 107.003 171.545 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -57.85 -63.39 1.27 Allowed 'General case' 0 C--N 1.426 3.913 0 CA-C-O 114.565 -2.636 . . . . 0.0 114.073 163.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.88 118.33 0.01 OUTLIER Glycine 2 CA--C 1.676 10.124 0 CA-C-O 114.73 -3.261 . . . . 0.0 110.592 -172.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -99.87 51.8 0.05 OUTLIER 'Trans proline' 1 N--CA 1.63 9.549 1 CA-C-N 124.397 4.098 . . . . 0.0 117.478 177.13 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp -106.8 -76.24 0.62 Allowed 'General case' 1 CA--C 1.678 5.873 0 CA-C-O 127.51 3.529 . . . . 0.0 109.186 175.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . 0.345 1.3 p -111.45 131.39 22.32 Favored Pre-proline 1 C--N 1.509 7.541 1 CA-C-N 108.1 -4.136 . . . . 0.0 111.009 -176.237 . . . . . . . . 4 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -80.27 79.82 3.22 Favored 'Trans proline' 1 CA--C 1.672 7.407 0 N-CA-C 121.149 3.48 . . . . 0.0 121.149 -168.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 55.35 60.69 3.24 Favored 'General case' 1 CA--C 1.694 6.493 1 C-N-CA 133.393 4.677 . . . . 0.0 110.15 -171.678 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.486 ' SG ' ' HB3' ' A' ' 5' ' ' GLU 0.255 4.2 t -78.63 -5.77 53.84 Favored 'General case' 0 C--O 1.179 -2.649 0 N-CA-C 121.472 3.879 . . . . 0.0 121.472 165.382 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 tmm? -77.16 -37.53 53.69 Favored 'General case' 0 CA--C 1.595 2.692 0 C-N-CA 129.859 3.263 . . . . 0.0 110.5 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.271 16.0 pttt -55.41 -38.86 69.49 Favored 'General case' 1 N--CA 1.557 4.913 0 O-C-N 118.735 -2.478 . . . . 0.0 116.493 162.359 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.344 . . -60.41 -36.35 77.93 Favored 'General case' 0 C--N 1.4 2.762 1 N-CA-C 123.316 4.562 . . . . 0.0 123.316 169.709 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -63.51 -40.25 96.56 Favored 'General case' 1 N--CA 1.553 4.7 1 O-C-N 114.498 -5.126 . . . . 0.0 113.084 166.867 . . . . . . . . 5 4 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.289 4.5 mp -47.33 -40.71 17.8 Favored 'General case' 0 C--O 1.266 1.932 0 C-N-CA 128.893 2.877 . . . . 0.0 117.004 169.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -72.93 -57.69 2.92 Favored Pre-proline 1 CA--C 1.685 6.159 0 N-CA-C 120.56 3.541 . . . . 0.0 120.56 171.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -59.11 -13.14 18.07 Favored 'Trans proline' 1 N--CA 1.554 5.046 0 C-N-CA 123.332 2.688 . . . . 0.0 113.168 170.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 34' ' ' THR . 11.2 pt-20 . . . . . 1 CA--C 1.66 5.21 0 CA-C-N 124.542 3.337 . . . . 0.0 105.992 161.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.197 -1.681 0 CA-C-O 115.999 -1.953 . . . . 0.0 115.479 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.344 10.5 pt-20 -51.39 -61.53 2.19 Favored 'General case' 0 N--CA 1.524 3.272 0 N-CA-C 120.85 3.648 . . . . 0.0 120.85 -168.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.445 ' HA ' HG23 ' A' ' 34' ' ' THR . 4.9 tp10 -66.32 -54.91 22.29 Favored Pre-proline 0 N--CA 1.392 -3.368 0 N-CA-C 119.642 3.201 . . . . 0.0 119.642 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.312 87.9 Cg_endo -70.02 -56.9 0.12 Allowed 'Trans proline' 0 C--N 1.381 2.282 2 O-C-N 110.43 -5.616 . . . . 0.0 115.988 174.25 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 m -68.94 -49.65 56.21 Favored 'General case' 1 N--CA 1.543 4.21 0 CA-C-O 126.224 2.916 . . . . 0.0 114.291 -162.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.514 3.9 m -58.34 -47.55 83.4 Favored 'General case' 1 C--N 1.436 4.335 0 C-N-CA 129.127 2.971 . . . . 0.0 118.519 171.367 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.254 11.7 ttt-85 -51.94 -48.3 64.32 Favored 'General case' 1 CA--C 1.633 4.16 0 N-CA-C 121.642 3.942 . . . . 0.0 121.642 163.156 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.276 14.0 m-80 -56.26 -39.64 72.94 Favored 'General case' 1 CA--C 1.681 5.982 0 CA-C-O 114.183 -2.817 . . . . 0.0 109.46 153.991 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.523 0.5 OUTLIER -54.55 -36.16 64.01 Favored 'General case' 1 CA--C 1.642 4.486 2 CA-C-N 130.994 6.27 . . . . 0.0 117.58 172.737 . . . . . . . . 5 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -57.81 -35.11 70.39 Favored 'General case' 1 N--CA 1.548 4.436 0 CA-C-O 127.225 3.393 . . . . 0.0 118.229 170.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' O ' ' HD2' ' A' ' 17' ' ' PRO . 2.3 mtt180 -63.06 -35.47 80.35 Favored 'General case' 1 N--CA 1.592 6.644 0 CA-C-N 110.899 -2.864 . . . . 0.0 106.729 166.517 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.344 12.1 m170 -57.69 -32.79 67.69 Favored 'General case' 2 N--CA 1.608 7.459 1 O-C-N 115.976 -4.202 . . . . 0.0 113.608 165.226 . . . . . . . . 4 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.258 0.6 OUTLIER -44.31 -33.12 1.06 Allowed Pre-proline 1 CA--C 1.649 4.751 2 O-C-N 113.687 -5.633 . . . . 0.0 110.956 -173.329 . . . . . . . . 5 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 14' ' ' ARG . 89.4 Cg_endo -69.81 -33.6 16.09 Favored 'Trans proline' 1 N--CA 1.541 4.267 1 C-N-CA 133.026 9.151 . . . . 0.0 119.836 166.966 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.59 1.4 pp -69.84 -43.99 70.84 Favored 'General case' 1 N--CA 1.56 5.029 0 CA-C-N 111.48 -2.6 . . . . 0.0 110.185 160.239 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.266 0.0 OUTLIER 47.78 35.01 4.23 Favored 'General case' 0 CA--C 1.625 3.852 0 N-CA-C 121.366 3.839 . . . . 0.0 121.366 178.881 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -107.62 -19.88 13.41 Favored 'General case' 0 C--O 1.273 2.323 0 CA-C-N 123.93 3.059 . . . . 0.0 117.036 171.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 t -113.95 62.75 0.66 Allowed 'General case' 0 CA--C 1.628 3.948 0 CA-C-O 128.395 3.95 . . . . 0.0 105.991 169.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.374 0.0 OUTLIER -59.77 -61.16 2.82 Favored 'General case' 0 CA--C 1.556 1.19 1 O-C-N 114.043 -5.411 . . . . 0.0 111.463 161.687 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -69.76 -69.14 0.36 Allowed 'General case' 1 N--CA 1.548 4.43 0 O-C-N 128.861 3.851 . . . . 0.0 106.908 167.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.35 112.55 0.01 OUTLIER Glycine 0 C--N 1.388 3.445 0 CA-C-N 125.081 3.582 . . . . 0.0 117.35 -161.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.276 3.6 Cg_endo -82.38 45.89 2.05 Favored 'Trans proline' 1 CA--C 1.727 10.134 1 N-CA-C 123.515 4.39 . . . . 0.0 123.515 -179.783 . . . . . . . . 4 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -115.95 -71.16 0.75 Allowed 'General case' 0 CA--C 1.622 3.717 0 C-N-CA 130.133 3.373 . . . . 0.0 110.963 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.498 ' SG ' ' CB ' ' A' ' 30' ' ' CYS . 1.3 p -116.4 142.23 29.15 Favored Pre-proline 0 N--CA 1.52 3.07 1 N-CA-C 98.695 -4.557 . . . . 0.0 98.695 -173.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.298 89.7 Cg_endo -101.42 72.42 0.04 OUTLIER 'Trans proline' 2 CA--C 1.696 8.587 0 O-C-N 117.046 -2.134 . . . . 0.0 109.226 -158.647 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.604 . . 79.19 44.6 0.06 Allowed 'General case' 0 C--N 1.403 2.901 0 O-C-N 116.355 -3.966 . . . . 0.0 115.035 -176.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.498 ' CB ' ' SG ' ' A' ' 27' ' ' CYS 0.361 4.8 t -83.18 -3.99 57.94 Favored 'General case' 0 CA--C 1.613 3.377 0 N-CA-C 119.46 3.133 . . . . 0.0 119.46 174.604 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -76.46 -37.64 56.62 Favored 'General case' 2 N--CA 1.605 7.312 0 C-N-CA 130.455 3.502 . . . . 0.0 105.831 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.282 12.8 pttt -57.89 -43.91 86.38 Favored 'General case' 1 N--CA 1.558 4.939 0 CA-C-O 114.78 -2.533 . . . . 0.0 113.182 165.555 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.24 69.4 Favored 'General case' 1 N--CA 1.592 6.656 0 CA-C-O 112.755 -3.498 . . . . 0.0 117.303 169.26 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.445 HG23 ' HA ' ' A' ' 6' ' ' GLU . 1.6 m -72.94 -38.76 66.67 Favored 'General case' 2 N--CA 1.625 8.281 0 CA-C-N 124.354 3.252 . . . . 0.0 109.826 166.347 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.254 7.1 mp -44.24 -32.05 1.17 Allowed 'General case' 1 N--CA 1.561 5.094 0 CA-C-O 113.962 -2.923 . . . . 0.0 116.663 168.275 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -78.72 -57.0 0.86 Allowed Pre-proline 0 CA--C 1.599 2.853 0 N-CA-C 121.738 3.977 . . . . 0.0 121.738 171.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 1.518 ' CB ' ' CA ' ' A' ' 37' ' ' PRO 0.394 37.3 Cg_endo -59.85 -16.46 38.14 Favored 'Trans proline' 1 C--N 1.452 5.974 1 C-N-CA 128.536 6.157 . . . . 0.0 113.941 167.793 . . . . . . . . 5 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.483 11.0 pt-20 . . . . . 2 C--N 1.486 6.521 0 CA-C-N 122.275 2.307 . . . . 0.0 104.935 165.635 . . . . . . . . 2 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 1 CA--C 1.655 4.986 0 N-CA-C 116.503 2.038 . . . . 0.0 116.503 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.514 3.4 pt-20 -49.09 -58.69 4.54 Favored 'General case' 0 CA--C 1.589 2.446 0 N-CA-C 121.138 3.755 . . . . 0.0 121.138 -168.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -69.17 -58.28 6.38 Favored Pre-proline 0 N--CA 1.534 3.757 1 CA-C-O 108.489 -5.529 . . . . 0.0 114.158 175.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.37 0.7 OUTLIER -75.76 -57.56 0.05 OUTLIER 'Trans proline' 1 CA--C 1.625 5.054 0 CA-C-N 125.286 2.924 . . . . 0.0 118.517 -179.73 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.294 0.8 OUTLIER -52.82 -57.99 8.39 Favored 'General case' 1 C--N 1.444 4.71 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -177.587 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.0 m -77.2 -36.94 54.43 Favored 'General case' 2 C--N 1.228 -4.699 0 C-N-CA 127.435 2.294 . . . . 0.0 108.579 -168.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -54.57 -38.54 66.81 Favored 'General case' 2 N--CA 1.553 4.686 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 167.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -61.41 -40.6 95.01 Favored 'General case' 2 CA--C 1.665 5.367 0 CA-C-O 116.729 -1.605 . . . . 0.0 109.529 164.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.564 0.6 OUTLIER -63.63 -33.92 76.68 Favored 'General case' 1 N--CA 1.646 9.375 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 175.512 . . . . . . . . 5 4 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -60.52 -32.7 71.71 Favored 'General case' 2 C--N 1.437 4.412 1 CA-C-O 111.232 -4.223 . . . . 0.0 118.488 169.514 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.9 -34.68 75.04 Favored 'General case' 1 CA--C 1.641 4.458 2 O-C-N 131.906 5.754 . . . . 0.0 114.651 158.319 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.38 45.1 m170 -55.03 -34.63 63.67 Favored 'General case' 1 CA--C 1.721 7.537 1 O-C-N 132.574 6.171 . . . . 0.0 111.8 166.033 . . . . . . . . 5 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.53 ' CD2' ' CG ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -43.54 -36.12 1.98 Allowed Pre-proline 1 N--CA 1.549 4.522 0 CA-C-O 113.045 -3.359 . . . . 0.0 118.362 -178.933 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -57.95 -42.27 60.08 Favored 'Trans proline' 2 N--CA 1.572 6.097 1 C-N-CA 132.103 8.535 . . . . 0.0 111.79 164.179 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 15' ' ' HIS . 1.7 pp -71.99 -48.79 42.36 Favored 'General case' 0 N--CA 1.526 3.373 0 CA-C-O 116.772 -1.585 . . . . 0.0 109.923 168.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.01 38.71 10.79 Favored 'General case' 1 N--CA 1.542 4.129 0 CA-C-N 122.615 2.462 . . . . 0.0 110.061 164.87 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -106.31 -31.16 8.74 Favored 'General case' 1 N--CA 1.557 4.885 0 CA-C-N 122.911 2.596 . . . . 0.0 117.868 161.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' A' ' 21' ' ' SER . 2.0 t -90.91 43.78 1.16 Allowed 'General case' 0 CA--C 1.49 -1.36 0 O-C-N 126.867 2.605 . . . . 0.0 116.074 165.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.426 0.0 OUTLIER -45.26 -56.98 4.3 Favored 'General case' 1 CA--C 1.633 4.157 0 CA-C-O 124.908 2.29 . . . . 0.0 108.624 172.326 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.5 p -68.79 -69.65 0.32 Allowed 'General case' 1 N--CA 1.558 4.945 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 170.448 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.88 126.83 0.1 OUTLIER Glycine 0 CA--C 1.573 3.66 1 CA-C-O 112.182 -4.677 . . . . 0.0 111.633 -174.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.38 0.0 OUTLIER -93.04 53.94 0.45 Allowed 'Trans proline' 1 N--CA 1.553 5.023 2 CA-C-N 126.755 5.278 . . . . 0.0 117.085 176.506 . . . . . . . . 5 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.312 7.0 mp -127.66 -52.34 1.36 Allowed 'General case' 1 N--CA 1.557 4.911 1 O-C-N 116.183 -4.073 . . . . 0.0 109.348 -179.877 . . . . . . . . 4 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.613 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 1.7 p -139.36 122.25 10.51 Favored Pre-proline 0 C--O 1.189 -2.112 1 O-C-N 115.983 -4.198 . . . . 0.0 100.513 -168.192 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -84.09 68.56 6.62 Favored 'Trans proline' 1 CA--C 1.429 -4.754 0 N-CA-C 119.139 2.707 . . . . 0.0 119.139 -162.267 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.31 70.83 0.26 Allowed 'General case' 1 CA--C 1.662 5.274 0 O-C-N 126.521 2.388 . . . . 0.0 115.409 -173.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.613 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 5.6 t -99.14 -17.38 18.22 Favored 'General case' 1 CA--C 1.697 6.61 1 CA-C-N 106.165 -5.016 . . . . 0.0 111.047 179.313 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -35.29 76.95 Favored 'General case' 0 C--N 1.426 3.926 0 N-CA-C 120.413 3.486 . . . . 0.0 120.413 168.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -74.09 -35.41 64.19 Favored 'General case' 1 CA--C 1.709 7.073 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.6 171.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.14 -31.77 69.26 Favored 'General case' 0 N--CA 1.519 2.995 0 CA-C-O 112.63 -3.557 . . . . 0.0 120.196 163.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 m -61.2 -39.78 91.5 Favored 'General case' 1 CA--C 1.652 4.866 0 CA-C-N 125.437 3.744 . . . . 0.0 111.293 165.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.27 -28.24 67.9 Favored 'General case' 0 CA--C 1.584 2.283 0 C-N-CA 126.823 2.049 . . . . 0.0 109.69 -171.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -72.74 -60.05 2.12 Favored Pre-proline 2 N--CA 1.589 6.517 1 CA-C-O 107.626 -5.94 . . . . 0.0 118.291 164.193 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -61.84 -13.17 29.16 Favored 'Trans proline' 0 N--CA 1.523 3.228 1 C-N-CA 126.406 4.737 . . . . 0.0 113.951 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 2 CA--C 1.697 6.616 1 CA-C-O 106.951 -6.261 . . . . 0.0 117.384 163.332 . . . . . . . . 2 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.341 2.5 t . . . . . 0 CA--C 1.605 3.086 0 CA-C-O 115.066 -2.397 . . . . 0.0 114.751 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.429 3.3 pt-20 -53.94 -60.94 2.67 Favored 'General case' 0 N--CA 1.533 3.711 0 N-CA-C 117.393 2.368 . . . . 0.0 117.393 -168.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.53 -51.38 32.39 Favored Pre-proline 0 C--N 1.4 2.775 0 CA-C-O 113.154 -3.308 . . . . 0.0 115.464 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.364 0.1 OUTLIER -80.69 -53.05 0.04 OUTLIER 'Trans proline' 1 C--N 1.453 6.038 0 N-CA-C 121.143 3.478 . . . . 0.0 121.143 173.841 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.5 m -56.92 -60.02 4.2 Favored 'General case' 1 N--CA 1.586 6.336 0 CA-C-O 128.348 3.927 . . . . 0.0 114.443 -176.305 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.33 6.0 m -69.14 -35.34 76.26 Favored 'General case' 0 C--O 1.288 3.114 1 O-C-N 115.742 -4.349 . . . . 0.0 115.709 -178.851 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.323 11.2 ttt-85 -50.56 -38.45 45.13 Favored 'General case' 0 C--N 1.419 3.593 0 CA-C-N 123.641 2.928 . . . . 0.0 112.799 170.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -62.73 -41.72 99.32 Favored 'General case' 1 N--CA 1.546 4.355 1 CA-C-N 108.2 -4.091 . . . . 0.0 114.398 167.495 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.358 0.1 OUTLIER -68.2 -33.57 74.68 Favored 'General case' 1 N--CA 1.602 7.164 0 CA-C-O 112.46 -3.638 . . . . 0.0 112.359 174.604 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.4 m -56.99 -38.9 73.69 Favored 'General case' 0 N--CA 1.519 3.005 1 CA-C-O 110.913 -4.375 . . . . 0.0 113.174 170.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.35 -29.17 70.27 Favored 'General case' 0 N--CA 1.506 2.345 1 O-C-N 129.459 4.224 . . . . 0.0 111.216 166.3 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.317 10.3 m170 -56.27 -32.47 64.57 Favored 'General case' 0 C--N 1.409 3.17 0 O-C-N 118.723 -2.486 . . . . 0.0 111.678 163.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.29 -38.81 16.03 Favored Pre-proline 1 CA--C 1.737 8.141 2 O-C-N 112.296 -6.502 . . . . 0.0 115.055 -175.258 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.267 22.2 Cg_endo -64.04 -27.44 65.78 Favored 'Trans proline' 0 C--N 1.285 -2.778 1 C-N-CA 127.904 5.736 . . . . 0.0 114.936 167.034 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.368 1.7 pp -74.02 -52.38 12.93 Favored 'General case' 1 N--CA 1.579 6.022 1 O-C-N 116.249 -4.032 . . . . 0.0 108.109 158.997 . . . . . . . . 4 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 64.36 39.21 7.29 Favored 'General case' 0 N--CA 1.529 3.519 0 CA-C-N 121.441 1.928 . . . . 0.0 110.721 168.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.416 47.4 p90 -109.04 -32.57 7.19 Favored 'General case' 0 N--CA 1.525 3.318 0 O-C-N 125.465 1.728 . . . . 0.0 114.004 171.074 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 t -96.09 51.21 1.21 Allowed 'General case' 0 N--CA 1.527 3.417 0 CA-C-O 112.698 -3.525 . . . . 0.0 104.747 171.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.439 0.0 OUTLIER -50.69 -52.41 40.37 Favored 'General case' 1 CA--C 1.644 4.595 0 CA-C-N 123.507 2.867 . . . . 0.0 110.495 167.425 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.6 p -69.45 -68.89 0.37 Allowed 'General case' 1 N--CA 1.641 9.119 0 N-CA-C 121.653 3.946 . . . . 0.0 121.653 168.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.07 133.12 0.01 OUTLIER Glycine 1 CA--C 1.594 4.989 0 CA-C-N 109.409 -3.541 . . . . 0.0 114.257 -175.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.297 2.5 Cg_endo -94.43 42.64 0.2 Allowed 'Trans proline' 0 C--N 1.406 3.568 0 CA-C-N 121.201 2.5 . . . . 0.0 114.792 -173.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.295 8.0 mp -113.57 -67.57 0.99 Allowed 'General case' 1 CA--C 1.688 6.273 1 O-C-N 115.285 -4.634 . . . . 0.0 107.966 -174.604 . . . . . . . . 4 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.613 ' SG ' ' CB ' ' A' ' 30' ' ' CYS 0.363 0.8 OUTLIER -122.15 120.71 28.16 Favored Pre-proline 1 N--CA 1.577 5.918 1 O-C-N 133.082 6.489 . . . . 0.0 103.712 -168.656 . . . . . . . . 6 4 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -84.08 79.61 2.59 Favored 'Trans proline' 0 C--O 1.284 2.798 0 C-N-CA 123.601 2.867 . . . . 0.0 113.0 -161.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.33 67.05 0.99 Allowed 'General case' 1 CA--C 1.682 6.031 0 CA-C-O 126.249 2.928 . . . . 0.0 115.067 -174.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.613 ' CB ' ' SG ' ' A' ' 27' ' ' CYS 0.402 5.4 t -91.38 -5.25 54.77 Favored 'General case' 0 C--N 1.428 3.993 1 CA-C-O 110.614 -4.517 . . . . 0.0 115.999 163.714 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -33.39 71.49 Favored 'General case' 1 N--CA 1.569 5.482 0 O-C-N 128.403 3.564 . . . . 0.0 115.696 169.325 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.314 24.7 pttt -73.92 -39.59 63.71 Favored 'General case' 1 CA--C 1.724 7.661 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 177.029 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.52 -34.15 64.41 Favored 'General case' 0 N--CA 1.532 3.66 0 N-CA-C 119.029 2.974 . . . . 0.0 119.029 168.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.8 m -58.91 -45.95 89.1 Favored 'General case' 2 N--CA 1.587 6.415 0 O-C-N 120.941 -1.099 . . . . 0.0 108.145 167.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -56.79 -40.03 75.18 Favored 'General case' 1 CA--C 1.632 4.098 0 CA-C-O 112.727 -3.511 . . . . 0.0 108.425 -168.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -58.24 -65.78 1.72 Allowed Pre-proline 0 CA--C 1.614 3.436 0 N-CA-C 120.471 3.508 . . . . 0.0 120.471 166.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -69.47 -3.19 11.32 Favored 'Trans proline' 1 C--N 1.44 5.378 1 N-CA-C 123.288 4.303 . . . . 0.0 123.288 176.646 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 CA--C 1.629 3.998 0 O-C-N 117.921 -2.987 . . . . 0.0 110.014 165.536 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.415 -2.212 0 N-CA-C 118.878 2.918 . . . . 0.0 118.878 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -52.4 -61.96 1.95 Allowed 'General case' 2 C--N 1.478 6.172 1 CA-C-O 109.033 -5.27 . . . . 0.0 113.183 -167.628 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.4 -55.84 32.07 Favored Pre-proline 0 N--CA 1.529 3.508 1 O-C-N 130.206 4.691 . . . . 0.0 110.077 -171.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.363 0.1 OUTLIER -79.77 -54.29 0.04 OUTLIER 'Trans proline' 1 N--CA 1.641 10.16 0 C-N-CA 125.018 3.812 . . . . 0.0 118.416 178.115 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 m -64.02 -59.4 4.52 Favored 'General case' 0 CA--C 1.629 3.998 0 CA-C-N 121.0 1.727 . . . . 0.0 112.937 -171.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -64.14 -38.22 90.29 Favored 'General case' 2 N--CA 1.573 5.706 1 CA-C-O 110.673 -4.489 . . . . 0.0 121.088 175.282 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -52.84 -32.92 47.06 Favored 'General case' 1 N--CA 1.639 8.981 1 O-C-N 133.062 6.476 . . . . 0.0 110.524 167.885 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -64.34 -47.55 78.92 Favored 'General case' 0 C--O 1.261 1.665 0 CA-C-O 112.425 -3.655 . . . . 0.0 111.67 167.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.32 0.0 OUTLIER -62.19 -31.6 72.14 Favored 'General case' 0 C--O 1.186 -2.286 1 N-CA-C 123.603 4.668 . . . . 0.0 123.603 168.39 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -55.81 -36.23 67.21 Favored 'General case' 0 C--O 1.197 -1.682 0 N-CA-C 118.495 2.776 . . . . 0.0 118.495 165.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -25.21 66.95 Favored 'General case' 1 N--CA 1.587 6.387 0 C-N-CA 127.747 2.419 . . . . 0.0 106.363 167.499 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 15.6 m170 -69.22 -27.76 65.77 Favored 'General case' 1 N--CA 1.592 6.662 0 CA-C-O 113.611 -3.09 . . . . 0.0 107.879 168.691 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.577 ' CB ' ' CG ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -51.05 -38.68 48.3 Favored Pre-proline 2 N--CA 1.548 4.454 0 CA-C-N 122.399 2.363 . . . . 0.0 117.198 -177.066 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -47.99 -44.17 28.37 Favored 'Trans proline' 1 CA--C 1.624 4.998 1 C-N-CA 126.702 4.935 . . . . 0.0 109.645 163.025 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 15' ' ' HIS . 2.8 pp -78.37 -32.27 48.86 Favored 'General case' 0 C--N 1.405 2.996 0 CA-C-N 123.044 2.656 . . . . 0.0 112.151 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 55.76 36.75 27.85 Favored 'General case' 0 C--O 1.278 2.569 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 166.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.425 ' H ' HD12 ' A' ' 18' ' ' LEU 0.355 30.1 p90 -111.32 -30.86 7.26 Favored 'General case' 0 C--O 1.268 2.062 0 CA-C-N 122.274 2.306 . . . . 0.0 108.624 179.264 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.3 t -96.67 61.31 1.89 Allowed 'General case' 0 N--CA 1.423 -1.818 1 O-C-N 115.72 -4.363 . . . . 0.0 101.975 167.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.315 0.0 OUTLIER -63.01 -38.32 90.73 Favored 'General case' 0 N--CA 1.524 3.234 0 O-C-N 118.347 -2.721 . . . . 0.0 116.094 162.576 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -81.39 -70.68 0.52 Allowed 'General case' 0 CA--C 1.605 3.087 1 O-C-N 116.226 -4.047 . . . . 0.0 117.33 168.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.82 125.98 0.07 OUTLIER Glycine 0 C--O 1.289 3.557 0 N-CA-C 122.637 3.815 . . . . 0.0 122.637 -174.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -83.4 25.94 0.67 Allowed 'Trans proline' 1 CA--C 1.662 6.89 0 CA-C-O 112.764 -3.098 . . . . 0.0 116.486 -170.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp -102.5 -71.43 0.72 Allowed 'General case' 0 N--CA 1.512 2.633 0 O-C-N 126.152 2.157 . . . . 0.0 113.883 -175.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.603 ' SG ' ' CB ' ' A' ' 30' ' ' CYS 0.446 0.6 OUTLIER -106.61 131.25 21.86 Favored Pre-proline 0 C--N 1.378 1.818 0 C-N-CA 128.521 2.728 . . . . 0.0 103.904 -177.402 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.413 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 40.8 Cg_endo -96.97 85.79 0.08 OUTLIER 'Trans proline' 1 CA--C 1.608 4.212 0 C-N-CA 113.992 -3.538 . . . . 0.0 110.552 -165.741 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 28' ' ' PRO . . . 59.28 57.67 3.33 Favored 'General case' 3 CA--C 1.649 4.773 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 -168.471 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.603 ' CB ' ' SG ' ' A' ' 27' ' ' CYS 0.522 6.0 t -86.86 5.35 37.24 Favored 'General case' 0 C--N 1.271 -2.804 0 CA-C-O 112.418 -3.658 . . . . 0.0 113.017 165.763 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -34.7 55.39 Favored 'General case' 1 N--CA 1.599 6.998 0 CA-C-N 122.422 2.374 . . . . 0.0 109.86 172.803 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.437 38.3 pttt -68.37 -38.42 81.36 Favored 'General case' 0 C--N 1.39 2.369 0 O-C-N 116.578 -3.826 . . . . 0.0 114.351 176.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.5 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.407 . . -54.91 -30.51 58.55 Favored 'General case' 0 C--O 1.261 1.693 1 O-C-N 112.639 -6.288 . . . . 0.0 119.972 167.454 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -62.04 -45.44 93.56 Favored 'General case' 1 CA--C 1.668 5.49 0 CA-C-O 125.451 2.548 . . . . 0.0 114.783 165.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.341 4.9 mp -51.47 -33.57 31.71 Favored 'General case' 0 C--O 1.254 1.312 0 N-CA-C 121.625 3.935 . . . . 0.0 121.625 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -72.98 -57.43 2.98 Favored Pre-proline 0 N--CA 1.537 3.921 0 O-C-N 128.608 3.692 . . . . 0.0 114.78 164.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.5 ' HD2' ' O ' ' A' ' 33' ' ' ALA . 87.7 Cg_endo -68.0 -15.82 44.07 Favored 'Trans proline' 2 CA--C 1.682 7.922 0 CA-C-O 111.319 -3.701 . . . . 0.0 119.39 -178.274 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 . . . . . 1 CA--C 1.636 4.283 1 O-C-N 132.279 5.987 . . . . 0.0 106.541 173.446 . . . . . . . . 2 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.601 7.087 0 CA-C-O 115.763 -2.065 . . . . 0.0 108.576 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.33 12.6 pt-20 -52.35 -56.24 16.22 Favored 'General case' 0 C--O 1.302 3.829 0 N-CA-C 118.274 2.694 . . . . 0.0 118.274 -174.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.43 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 3.8 tp10 -65.02 -60.93 7.0 Favored Pre-proline 1 CA--C 1.652 4.868 1 O-C-N 114.396 -5.19 . . . . 0.0 114.584 -178.111 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD3' ' HB3' ' A' ' 6' ' ' GLU . 49.9 Cg_endo -70.64 -49.46 0.43 Allowed 'Trans proline' 0 CA--C 1.588 3.219 1 C-N-CA 125.696 4.264 . . . . 0.0 120.782 175.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 m -68.31 -51.44 44.72 Favored 'General case' 0 C--N 1.383 2.046 1 N-CA-C 123.389 4.588 . . . . 0.0 123.389 -174.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.452 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 87.2 m -73.57 -39.38 64.7 Favored 'General case' 1 N--CA 1.586 6.368 1 CA-C-N 103.675 -6.148 . . . . 0.0 107.099 -174.233 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.38 34.7 ttt-85 -56.3 -43.64 79.09 Favored 'General case' 0 C--N 1.374 1.639 0 CA-C-N 125.468 3.758 . . . . 0.0 116.87 163.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -50.17 -38.69 40.94 Favored 'General case' 0 CA--C 1.596 2.714 0 O-C-N 126.158 2.161 . . . . 0.0 116.043 163.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 9' ' ' CYS 0.445 1.5 ptp180 -71.29 -36.07 71.55 Favored 'General case' 0 C--O 1.285 2.961 0 CA-C-O 114.643 -2.599 . . . . 0.0 114.911 171.06 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.373 2.9 m -53.45 -40.33 65.13 Favored 'General case' 0 CA--C 1.629 4.0 0 CA-C-N 121.769 2.077 . . . . 0.0 112.682 176.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -33.96 74.52 Favored 'General case' 0 C--O 1.271 2.225 1 CA-C-O 108.743 -5.408 . . . . 0.0 107.79 162.887 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.527 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.323 0.3 OUTLIER -57.69 -30.44 65.48 Favored 'General case' 0 CA--C 1.605 3.091 0 CA-C-N 123.27 2.759 . . . . 0.0 110.728 173.12 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.502 ' C ' ' CA ' ' A' ' 16' ' ' LEU 0.391 4.7 tt -44.99 -48.84 30.42 Favored Pre-proline 1 CA--C 1.745 8.467 0 O-C-N 118.398 -2.689 . . . . 0.0 109.581 -173.588 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -40.72 -52.11 3.33 Favored 'Trans proline' 0 N--CA 1.534 3.894 0 C-N-CA 123.556 2.837 . . . . 0.0 111.384 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 15' ' ' HIS 0.399 4.2 pp -58.8 -49.9 75.95 Favored 'General case' 1 N--CA 1.564 5.23 0 C-N-CA 127.977 2.511 . . . . 0.0 115.37 170.728 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 53.46 47.05 24.94 Favored 'General case' 1 N--CA 1.55 4.529 0 O-C-N 117.824 -3.047 . . . . 0.0 118.848 176.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.535 1.7 p90 -104.16 -45.67 4.65 Favored 'General case' 1 N--CA 1.587 6.416 0 O-C-N 120.257 -1.527 . . . . 0.0 113.037 166.454 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 t -91.2 73.52 6.25 Favored 'General case' 1 N--CA 1.563 5.205 1 N-CA-C 98.731 -4.544 . . . . 0.0 98.731 177.282 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.443 0.0 OUTLIER -91.23 -33.06 15.52 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 127.009 2.693 . . . . 0.0 115.614 170.757 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 p -90.89 -68.87 0.76 Allowed 'General case' 1 CA--C 1.645 4.6 0 CA-C-O 113.33 -3.224 . . . . 0.0 108.363 161.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.97 116.56 0.55 Allowed Glycine 1 C--N 1.447 6.71 2 CA-C-O 109.128 -6.373 . . . . 0.0 119.77 -167.324 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.274 60.7 Cg_endo -65.16 2.77 1.25 Allowed 'Trans proline' 1 N--CA 1.629 9.453 2 CA-C-N 127.829 5.814 . . . . 0.0 126.266 167.973 . . . . . . . . 4 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.26 1.1 mp -88.15 -76.28 0.39 Allowed 'General case' 0 C--N 1.425 3.87 0 CA-C-O 121.856 0.836 . . . . 0.0 112.291 -170.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.762 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 23.3 p -100.04 124.61 42.88 Favored Pre-proline 0 C--O 1.301 3.77 2 O-C-N 130.614 4.946 . . . . 0.0 104.63 -179.836 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -84.86 82.36 1.76 Allowed 'Trans proline' 1 CA--C 1.609 4.243 0 N-CA-C 117.286 1.995 . . . . 0.0 117.286 -178.088 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 51.25 76.46 0.16 Allowed 'General case' 1 N--CA 1.558 4.945 2 N-CA-C 126.096 5.591 . . . . 0.0 126.096 -156.729 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.762 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 9.6 t -102.74 10.75 38.36 Favored 'General case' 0 CA--C 1.62 3.663 2 O-C-N 132.464 6.103 . . . . 0.0 113.243 176.052 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.05 -37.53 22.0 Favored 'General case' 0 C--N 1.423 3.785 1 O-C-N 131.392 5.432 . . . . 0.0 109.156 175.848 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -74.34 -31.85 62.59 Favored 'General case' 0 C--O 1.198 -1.65 0 CA-C-N 121.768 2.077 . . . . 0.0 114.637 -176.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.332 . . -61.06 -34.61 75.16 Favored 'General case' 0 CA--C 1.6 2.891 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 166.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 m -55.65 -44.69 77.44 Favored 'General case' 1 N--CA 1.597 6.925 0 CA-C-O 123.615 1.674 . . . . 0.0 114.11 165.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -32.1 67.46 Favored 'General case' 0 C--N 1.255 -3.526 0 CA-C-O 112.281 -3.723 . . . . 0.0 111.066 177.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.349 54.4 mt-30 -67.34 -62.53 3.49 Favored Pre-proline 0 CA--C 1.622 3.717 1 CA-C-N 127.881 4.855 . . . . 0.0 111.677 171.553 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.293 8.5 Cg_endo -45.13 -42.32 16.38 Favored 'Trans proline' 1 C--N 1.5 8.541 1 N-CA-C 123.88 4.531 . . . . 0.0 123.88 170.812 . . . . . . . . 4 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.429 14.5 pt-20 . . . . . 2 C--N 1.493 6.83 0 N-CA-C 105.291 -2.115 . . . . 0.0 105.291 -178.655 . . . . . . . . 2 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 CA--C 1.456 -2.671 1 N-CA-C 122.292 4.182 . . . . 0.0 122.292 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.293 11.4 pt-20 -54.24 -52.46 61.26 Favored 'General case' 1 N--CA 1.566 5.363 0 CA-C-N 110.6 -3.0 . . . . 0.0 118.76 -178.519 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 6' ' ' GLU 0.454 0.2 OUTLIER -60.83 -71.38 0.34 Allowed Pre-proline 1 N--CA 1.57 5.575 0 CA-C-O 114.172 -2.823 . . . . 0.0 110.575 179.141 . . . . . . . . 5 4 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.57 -47.04 1.07 Allowed 'Trans proline' 0 N--CA 1.533 3.844 1 C-N-CA 127.974 5.783 . . . . 0.0 120.633 -176.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 m -72.77 -56.29 5.47 Favored 'General case' 2 N--CA 1.584 6.243 0 O-C-N 129.072 3.982 . . . . 0.0 112.798 -170.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.0 m -71.84 -38.97 70.03 Favored 'General case' 1 CA--C 1.698 6.637 0 CA-C-N 111.291 -2.686 . . . . 0.0 115.286 -171.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.278 59.8 ttt-85 -55.08 -43.56 74.04 Favored 'General case' 0 C--O 1.28 2.675 0 CA-C-O 113.491 -3.147 . . . . 0.0 111.963 161.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -49.27 -40.33 33.94 Favored 'General case' 0 C--N 1.385 2.116 0 CA-C-N 120.757 1.617 . . . . 0.0 111.794 163.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.481 1.0 OUTLIER -69.25 -35.21 75.88 Favored 'General case' 0 CA--C 1.458 -2.568 0 N-CA-C 120.157 3.391 . . . . 0.0 120.157 173.177 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.275 4.0 m -57.76 -39.53 77.64 Favored 'General case' 1 C--N 1.462 5.458 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -179.553 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -29.9 42.35 Favored 'General case' 1 N--CA 1.549 4.516 0 O-C-N 127.703 3.127 . . . . 0.0 116.951 159.293 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.421 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.252 36.3 m170 -61.02 -26.09 67.37 Favored 'General case' 3 CA--C 1.67 5.592 0 N-CA-C 103.84 -2.652 . . . . 0.0 103.84 176.881 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.322 7.1 tt -55.51 -32.15 11.81 Favored Pre-proline 2 CA--C 1.648 4.743 0 CA-C-N 121.818 2.099 . . . . 0.0 112.436 -170.419 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.329 2.8 Cg_endo -49.34 -51.51 10.55 Favored 'Trans proline' 2 N--CA 1.601 7.849 0 C-N-CA 124.383 3.389 . . . . 0.0 112.351 172.071 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 15' ' ' HIS 0.32 4.3 pp -59.66 -47.52 85.31 Favored 'General case' 1 N--CA 1.602 7.17 0 O-C-N 126.294 2.246 . . . . 0.0 115.528 170.85 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.343 4.3 tt0 53.79 46.99 24.66 Favored 'General case' 1 CA--C 1.632 4.114 1 N-CA-C 122.118 4.118 . . . . 0.0 122.118 178.933 . . . . . . . . 4 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.352 7.4 p90 -108.88 -50.43 3.01 Favored 'General case' 1 C--O 1.349 6.323 0 O-C-N 120.139 -1.601 . . . . 0.0 110.898 168.004 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.24 68.17 9.78 Favored 'General case' 0 CA--C 1.584 2.274 0 O-C-N 119.43 -2.044 . . . . 0.0 111.249 173.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.29 0.0 OUTLIER -81.55 -28.69 33.77 Favored 'General case' 0 C--N 1.428 3.997 0 CA-C-N 112.583 -2.099 . . . . 0.0 116.517 170.498 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 p -93.94 -73.51 0.57 Allowed 'General case' 1 CA--C 1.68 5.967 0 CA-C-O 112.036 -3.84 . . . . 0.0 103.789 166.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.533 ' C ' ' CA ' ' A' ' 25' ' ' PRO . . . 84.3 121.83 0.94 Allowed Glycine 1 N--CA 1.579 8.216 1 CA-C-O 109.604 -6.109 . . . . 0.0 118.642 -166.712 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 1.44 ' CA ' ' N ' ' A' ' 25' ' ' PRO . 13.1 Cg_endo -74.6 6.07 3.43 Favored 'Trans proline' 2 N--CA 1.681 12.5 1 CA-C-N 126.143 4.971 . . . . 0.0 117.666 173.303 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.252 4.9 mp -87.09 -81.52 0.23 Allowed 'General case' 0 N--CA 1.52 3.052 0 CA-C-O 127.083 3.325 . . . . 0.0 111.604 -172.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.685 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 29.3 p -104.38 122.12 44.99 Favored Pre-proline 0 N--CA 1.389 -3.486 1 CA-C-O 131.999 5.666 . . . . 0.0 103.855 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -79.62 77.15 4.19 Favored 'Trans proline' 2 N--CA 1.588 7.033 1 O-C-N 112.245 -4.661 . . . . 0.0 119.469 -178.538 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 57.04 74.43 0.41 Allowed 'General case' 0 CA--C 1.606 3.104 0 CA-C-N 111.474 -2.603 . . . . 0.0 116.06 -161.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.685 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 9.9 t -98.3 3.34 48.71 Favored 'General case' 0 C--O 1.263 1.788 0 C-N-CA 128.916 2.887 . . . . 0.0 116.664 168.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -44.15 48.26 Favored 'General case' 2 N--CA 1.574 5.754 0 CA-C-O 113.361 -3.209 . . . . 0.0 110.236 169.331 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 35' ' ' LEU . 30.7 pttt -64.54 -30.45 71.48 Favored 'General case' 1 N--CA 1.551 4.577 0 CA-C-N 125.37 3.714 . . . . 0.0 120.75 176.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.426 ' O ' ' CD ' ' A' ' 37' ' ' PRO 0.385 . . -61.38 -32.81 72.74 Favored 'General case' 0 C--O 1.26 1.64 0 N-CA-C 118.911 2.93 . . . . 0.0 118.911 164.847 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -53.39 -49.3 67.53 Favored 'General case' 2 N--CA 1.593 6.689 0 CA-C-O 125.358 2.504 . . . . 0.0 112.858 166.476 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 32' ' ' LYS 0.269 0.6 OUTLIER -48.53 -47.25 39.29 Favored 'General case' 0 C--N 1.392 2.451 0 C-N-CA 130.178 3.391 . . . . 0.0 113.708 172.189 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -68.14 -61.88 3.68 Favored Pre-proline 1 CA--C 1.67 5.564 1 CA-C-O 111.382 -4.152 . . . . 0.0 105.648 -179.455 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.426 ' CD ' ' O ' ' A' ' 33' ' ' ALA 0.276 0.9 OUTLIER -50.93 -40.22 58.39 Favored 'Trans proline' 1 CA--C 1.63 5.322 1 C-N-CA 127.586 5.524 . . . . 0.0 119.877 172.594 . . . . . . . . 6 4 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.288 14.0 pt-20 . . . . . 1 N--CA 1.591 6.578 0 CA-C-N 125.521 3.782 . . . . 0.0 112.302 177.328 . . . . . . . . 2 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 116.289 -1.815 . . . . 0.0 115.161 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 8.7 pt-20 -55.32 -53.19 59.28 Favored 'General case' 1 C--O 1.31 4.246 0 O-C-N 126.401 2.313 . . . . 0.0 112.824 -175.029 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.444 0.0 OUTLIER -65.08 -56.51 19.97 Favored Pre-proline 1 N--CA 1.573 5.709 0 CA-C-N 124.78 3.446 . . . . 0.0 114.868 -179.18 . . . . . . . . 4 3 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -83.79 -43.4 0.07 OUTLIER 'Trans proline' 1 C--N 1.467 6.787 0 O-C-N 115.602 -2.894 . . . . 0.0 116.675 -177.855 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m -73.76 -52.16 14.07 Favored 'General case' 0 CA--C 1.584 2.287 1 CA-C-O 129.189 4.328 . . . . 0.0 114.928 -166.86 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.497 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.483 84.2 m -66.86 -50.95 60.9 Favored 'General case' 0 C--O 1.288 3.081 1 CA-C-N 108.325 -4.034 . . . . 0.0 113.471 179.832 . . . . . . . . 4 3 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.268 73.6 ttt-85 -59.18 -41.08 87.6 Favored 'General case' 1 N--CA 1.633 8.694 0 CA-C-O 112.01 -3.852 . . . . 0.0 104.873 174.465 . . . . . . . . 3 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -54.6 -33.38 60.29 Favored 'General case' 1 C--N 1.439 4.477 0 CA-C-N 125.558 3.799 . . . . 0.0 108.459 167.085 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.497 ' HG2' ' HA ' ' A' ' 9' ' ' CYS 0.411 2.0 ptp180 -72.25 -35.46 68.8 Favored 'General case' 1 C--O 1.309 4.223 0 CA-C-N 125.006 3.548 . . . . 0.0 112.7 169.5 . . . . . . . . 4 3 . 1 . 021 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.278 5.6 m -62.14 -41.77 98.6 Favored 'General case' 0 N--CA 1.518 2.961 0 CA-C-N 122.563 2.438 . . . . 0.0 112.142 -177.577 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.393 0.5 OUTLIER -50.07 -31.56 13.44 Favored 'General case' 1 C--O 1.31 4.27 0 O-C-N 125.863 1.977 . . . . 0.0 115.482 160.303 . . . . . . . . 4 3 . 1 . 021 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.508 17.1 m170 -57.73 -34.7 69.78 Favored 'General case' 0 C--O 1.259 1.577 0 C-N-CA 128.285 2.634 . . . . 0.0 109.035 168.49 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.587 8.5 tt -42.43 -42.54 6.81 Favored Pre-proline 2 N--CA 1.56 5.04 0 O-C-N 116.956 -3.59 . . . . 0.0 115.101 -176.837 . . . . . . . . 3 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.422 1.9 Cg_endo -46.55 -53.4 6.11 Favored 'Trans proline' 1 N--CA 1.585 6.873 0 C-N-CA 124.204 3.269 . . . . 0.0 114.537 172.755 . . . . . . . . 3 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.357 4.7 pp -57.72 -50.07 74.45 Favored 'General case' 1 C--N 1.46 5.407 0 N-CA-C 118.322 2.712 . . . . 0.0 118.322 169.767 . . . . . . . . 3 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.25 5.5 tt0 52.16 58.12 5.76 Favored 'General case' 1 CA--C 1.683 6.071 0 N-CA-C 121.563 3.912 . . . . 0.0 121.563 -177.717 . . . . . . . . 3 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.289 4.5 p90 -114.35 -57.37 2.28 Favored 'General case' 0 CA--C 1.605 3.094 0 N-CA-C 105.729 -1.952 . . . . 0.0 105.729 164.404 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.07 56.84 0.79 Allowed 'General case' 1 C--N 1.441 4.575 0 C-N-CA 116.499 -2.08 . . . . 0.0 116.468 173.862 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.301 0.0 OUTLIER -70.48 -31.44 68.57 Favored 'General case' 2 N--CA 1.608 7.468 0 C-N-CA 127.647 2.379 . . . . 0.0 116.102 167.821 . . . . . . . . 4 3 . 1 . 021 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -97.3 -66.38 0.91 Allowed 'General case' 0 CA--C 1.619 3.633 0 CA-C-N 112.256 -2.247 . . . . 0.0 106.762 171.926 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.94 127.53 0.52 Allowed Glycine 2 N--CA 1.642 12.368 0 CA-C-O 115.526 -2.819 . . . . 0.0 116.018 -176.154 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -84.65 11.81 3.25 Favored 'Trans proline' 1 CA--C 1.653 6.426 2 CA-C-N 126.761 5.28 . . . . 0.0 123.316 176.897 . . . . . . . . 3 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mp -96.91 -78.69 0.47 Allowed 'General case' 1 CA--C 1.679 5.92 0 O-C-N 116.665 -3.772 . . . . 0.0 108.496 -171.646 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.522 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 24.2 p -99.41 125.44 41.11 Favored Pre-proline 1 N--CA 1.541 4.092 0 CA-C-O 125.222 2.439 . . . . 0.0 108.061 173.771 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -78.85 79.52 3.35 Favored 'Trans proline' 1 N--CA 1.555 5.104 0 N-CA-C 116.453 1.674 . . . . 0.0 116.453 -178.426 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 57.71 83.5 0.11 Allowed 'General case' 1 CA--C 1.694 6.484 0 C-N-CA 129.057 2.943 . . . . 0.0 109.751 -168.794 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.522 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.33 7.1 t -111.62 3.03 17.62 Favored 'General case' 0 N--CA 1.534 3.743 0 CA-C-N 110.119 -3.218 . . . . 0.0 113.415 172.701 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -38.15 69.79 Favored 'General case' 0 N--CA 1.517 2.884 0 N-CA-C 119.472 3.138 . . . . 0.0 119.472 161.152 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.486 ' HA ' ' HB2' ' A' ' 35' ' ' LEU . 26.6 pttt -56.74 -35.23 68.36 Favored 'General case' 1 N--CA 1.612 7.66 1 N-CA-C 123.418 4.599 . . . . 0.0 123.418 165.061 . . . . . . . . 4 3 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.16 76.63 Favored 'General case' 2 N--CA 1.546 4.351 0 CA-C-O 114.446 -2.692 . . . . 0.0 115.327 167.939 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -34.8 77.99 Favored 'General case' 1 CA--C 1.631 4.068 0 O-C-N 127.203 2.814 . . . . 0.0 116.303 171.686 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 32' ' ' LYS 0.262 0.6 OUTLIER -48.92 -54.25 16.26 Favored 'General case' 0 C--N 1.41 3.226 1 O-C-N 130.355 4.784 . . . . 0.0 117.106 163.109 . . . . . . . . 5 4 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.255 53.2 mt-30 -62.32 -61.93 6.71 Favored Pre-proline 2 CA--C 1.645 4.617 1 CA-C-O 111.026 -4.321 . . . . 0.0 106.652 179.843 . . . . . . . . 4 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -48.05 -42.82 31.84 Favored 'Trans proline' 0 C--O 1.178 -2.493 3 N-CA-C 124.915 4.929 . . . . 0.0 124.915 169.414 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.297 10.9 pt-20 . . . . . 1 C--O 1.306 4.045 2 O-C-N 111.102 -7.248 . . . . 0.0 120.154 179.637 . . . . . . . . 3 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.401 -2.89 0 N-CA-C 118.105 2.632 . . . . 0.0 118.105 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.252 6.5 pt-20 -33.79 -61.66 0.33 Allowed 'General case' 1 N--CA 1.621 8.123 0 N-CA-C 117.022 2.23 . . . . 0.0 117.022 -174.727 . . . . . . . . 3 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.61 -51.94 37.78 Favored Pre-proline 1 N--CA 1.553 4.706 0 O-C-N 119.433 -2.042 . . . . 0.0 116.0 177.479 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.353 60.6 Cg_endo -76.07 -62.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.526 3.416 0 N-CA-C 121.545 3.633 . . . . 0.0 121.545 -174.59 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.3 m -76.31 -46.06 29.48 Favored 'General case' 1 N--CA 1.579 6.02 1 O-C-N 113.63 -5.669 . . . . 0.0 111.55 -176.214 . . . . . . . . 3 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.33 81.3 m -56.67 -32.07 65.05 Favored 'General case' 0 N--CA 1.534 3.741 1 O-C-N 130.708 5.005 . . . . 0.0 117.574 175.591 . . . . . . . . 3 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.3 ttt-85 -71.21 -61.94 1.58 Allowed 'General case' 0 C--O 1.282 2.808 0 C-N-CA 127.949 2.499 . . . . 0.0 106.372 171.062 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -44.09 -39.92 4.56 Favored 'General case' 2 C--N 1.453 5.067 1 C-N-CA 109.011 -5.076 . . . . 0.0 121.604 163.091 . . . . . . . . 3 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER -58.48 -40.1 81.8 Favored 'General case' 0 C--O 1.266 1.97 0 N-CA-C 119.468 3.136 . . . . 0.0 119.468 171.364 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.2 m -48.24 -40.3 24.14 Favored 'General case' 1 N--CA 1.544 4.274 1 N-CA-C 122.785 4.365 . . . . 0.0 122.785 167.369 . . . . . . . . 3 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.39 -28.43 19.63 Favored 'General case' 1 N--CA 1.583 6.181 0 N-CA-C 120.641 3.571 . . . . 0.0 120.641 162.355 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.386 12.4 m170 -54.46 -32.26 57.28 Favored 'General case' 0 CA--C 1.599 2.836 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 166.49 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.19 -49.74 83.07 Favored Pre-proline 0 N--CA 1.53 3.562 0 CA-C-O 112.178 -3.772 . . . . 0.0 117.435 -170.227 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -44.89 -38.32 13.05 Favored 'Trans proline' 0 C--N 1.403 3.433 1 CA-C-N 131.21 5.039 . . . . 0.0 114.828 162.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.484 0.3 OUTLIER -63.1 -54.5 36.92 Favored 'General case' 2 CA--C 1.677 5.834 0 CA-C-O 112.824 -3.465 . . . . 0.0 113.379 171.813 . . . . . . . . 4 3 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 69.25 64.75 0.28 Allowed 'General case' 0 CA--C 1.626 3.884 0 O-C-N 127.143 2.777 . . . . 0.0 113.277 170.256 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -129.96 -27.22 2.31 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 111.763 -3.97 . . . . 0.0 120.571 160.783 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.5 t -98.34 47.34 0.99 Allowed 'General case' 1 C--N 1.455 5.174 0 CA-C-N 124.65 3.386 . . . . 0.0 108.053 158.086 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER -54.09 -41.4 68.19 Favored 'General case' 2 CA--C 1.655 4.987 0 O-C-N 124.981 1.426 . . . . 0.0 113.05 172.235 . . . . . . . . 4 3 . 1 . 022 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.15 -35.81 19.92 Favored 'General case' 0 N--CA 1.491 1.576 1 N-CA-C 126.356 5.687 . . . . 0.0 126.356 171.637 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.78 104.33 0.71 Allowed Glycine 1 N--CA 1.521 4.343 0 N-CA-C 121.547 3.379 . . . . 0.0 121.547 176.832 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -79.39 -21.64 8.76 Favored 'Trans proline' 1 CA--C 1.616 4.621 0 N-CA-C 120.104 3.078 . . . . 0.0 120.104 171.209 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.276 0.3 OUTLIER -78.68 -50.75 10.91 Favored 'General case' 0 C--N 1.389 2.285 1 CA-C-O 108.106 -5.711 . . . . 0.0 115.654 172.115 . . . . . . . . 4 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.582 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 27.7 p -130.47 98.6 20.11 Favored Pre-proline 0 C--N 1.428 3.996 0 CA-C-N 125.132 3.606 . . . . 0.0 101.738 169.056 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 1.439 ' CB ' ' CG ' ' A' ' 28' ' ' PRO . 60.2 Cg_endo -83.75 145.48 11.51 Favored 'Trans proline' 2 C--N 1.44 5.362 0 N-CA-C 109.676 -0.932 . . . . 0.0 109.676 -170.185 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 49.46 30.24 3.29 Favored 'General case' 1 CA--C 1.642 4.511 0 CA-C-O 113.495 -3.145 . . . . 0.0 117.832 -167.933 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . 0.262 3.7 t -71.98 -18.44 61.99 Favored 'General case' 2 CA--C 1.683 6.074 1 N-CA-C 125.509 5.374 . . . . 0.0 125.509 163.331 . . . . . . . . 4 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.444 ' O ' ' HB ' ' A' ' 34' ' ' THR . 2.3 ttt -70.27 -55.12 10.01 Favored 'General case' 2 N--CA 1.592 6.647 0 CA-C-O 114.078 -2.868 . . . . 0.0 107.406 -178.758 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -45.1 -45.3 11.09 Favored 'General case' 1 N--CA 1.541 4.097 0 O-C-N 126.293 2.246 . . . . 0.0 116.491 -178.888 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.429 ' O ' ' HD2' ' A' ' 37' ' ' PRO . . . -69.14 -26.79 65.06 Favored 'General case' 1 N--CA 1.555 4.776 1 N-CA-C 122.656 4.317 . . . . 0.0 122.656 173.978 . . . . . . . . 4 3 . 1 . 022 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' A' ' 31' ' ' MET 0.329 60.1 m -47.96 -44.21 30.1 Favored 'General case' 1 CA--C 1.739 8.243 0 O-C-N 127.365 2.916 . . . . 0.0 109.007 171.745 . . . . . . . . 4 3 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.404 1.1 mt -64.21 -28.21 69.59 Favored 'General case' 0 C--N 1.383 2.035 0 CA-C-N 109.633 -3.439 . . . . 0.0 114.144 -170.7 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -66.0 -60.38 7.18 Favored Pre-proline 0 CA--C 1.607 3.168 1 CA-C-O 108.059 -5.734 . . . . 0.0 107.567 173.301 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HD2' ' O ' ' A' ' 33' ' ' ALA . 10.6 Cg_endo -77.52 -26.57 7.06 Favored 'Trans proline' 0 CA--C 1.588 3.182 0 CA-C-N 124.975 2.812 . . . . 0.0 119.392 -175.05 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.294 5.3 pt-20 . . . . . 0 CA--C 1.573 1.853 0 CA-C-N 119.52 1.055 . . . . 0.0 110.237 -171.791 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.528 3.452 0 N-CA-C 117.713 2.486 . . . . 0.0 117.713 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 9' ' ' CYS 0.306 2.4 pt-20 -43.94 -62.13 1.22 Allowed 'General case' 1 CA--C 1.63 4.058 0 C-N-CA 125.313 1.445 . . . . 0.0 113.785 -169.896 . . . . . . . . 4 3 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.414 2.2 tp10 -59.02 -57.86 23.91 Favored Pre-proline 1 CA--C 1.63 4.041 0 O-C-N 126.854 2.596 . . . . 0.0 112.09 178.543 . . . . . . . . 3 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.324 58.2 Cg_endo -76.61 -64.16 0.03 OUTLIER 'Trans proline' 1 N--CA 1.56 5.425 1 N-CA-C 122.589 4.034 . . . . 0.0 122.589 -174.212 . . . . . . . . 4 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.282 51.8 m -73.21 -38.93 65.91 Favored 'General case' 0 CA--C 1.598 2.79 1 O-C-N 115.19 -4.694 . . . . 0.0 114.804 -172.531 . . . . . . . . 3 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.486 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.287 81.1 m -66.68 -33.72 76.28 Favored 'General case' 1 C--N 1.453 5.085 0 C-N-CA 129.242 3.017 . . . . 0.0 110.989 -177.117 . . . . . . . . 4 3 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.8 ttt-85 -66.37 -53.45 35.9 Favored 'General case' 0 N--CA 1.518 2.929 0 O-C-N 126.099 2.125 . . . . 0.0 112.242 166.627 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -52.67 -45.96 67.0 Favored 'General case' 0 CA--C 1.586 2.338 0 CA-C-N 122.561 2.437 . . . . 0.0 106.099 166.393 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HG2' ' HA ' ' A' ' 9' ' ' CYS 0.43 0.0 OUTLIER -52.33 -48.13 65.64 Favored 'General case' 0 C--N 1.389 2.285 0 N-CA-C 119.934 3.309 . . . . 0.0 119.934 176.126 . . . . . . . . 4 4 . 1 . 023 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.3 m -49.61 -34.71 18.76 Favored 'General case' 2 N--CA 1.613 7.724 0 O-C-N 117.609 -3.182 . . . . 0.0 115.295 175.813 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -59.37 -38.31 80.15 Favored 'General case' 2 CA--C 1.65 4.802 0 O-C-N 127.219 2.825 . . . . 0.0 110.72 172.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.417 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.454 0.2 OUTLIER -41.37 -28.25 0.11 Allowed 'General case' 1 CA--C 1.662 5.25 0 O-C-N 119.684 -1.885 . . . . 0.0 114.865 167.596 . . . . . . . . 5 4 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.264 1.4 tt -59.55 -55.61 44.15 Favored Pre-proline 1 N--CA 1.555 4.786 1 CA-C-O 108.523 -5.513 . . . . 0.0 113.372 -164.983 . . . . . . . . 4 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -47.1 -37.39 23.01 Favored 'Trans proline' 1 CA--C 1.626 5.111 1 CA-C-O 110.379 -4.092 . . . . 0.0 109.662 169.99 . . . . . . . . 3 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 15' ' ' HIS 0.597 3.9 pp -59.69 -54.35 47.39 Favored 'General case' 1 N--CA 1.572 5.635 1 N-CA-C 122.572 4.286 . . . . 0.0 122.572 167.375 . . . . . . . . 5 3 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.328 13.6 tt0 69.53 62.05 0.28 Allowed 'General case' 0 C--O 1.26 1.632 0 N-CA-C 118.863 2.912 . . . . 0.0 118.863 170.647 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.295 16.5 p90 -126.05 -36.22 2.37 Favored 'General case' 0 N--CA 1.527 3.398 1 N-CA-C 123.556 4.65 . . . . 0.0 123.556 166.502 . . . . . . . . 3 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.4 t -105.41 49.88 0.79 Allowed 'General case' 0 N--CA 1.534 3.733 0 CA-C-O 127.547 3.546 . . . . 0.0 107.976 164.211 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -39.85 88.96 Favored 'General case' 0 C--N 1.412 3.286 1 O-C-N 115.486 -4.509 . . . . 0.0 110.246 170.52 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.428 3.0 p -79.79 -53.12 7.09 Favored 'General case' 0 CA--C 1.607 3.157 0 N-CA-C 121.645 3.943 . . . . 0.0 121.645 170.751 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.32 110.08 2.92 Favored Glycine 1 CA--C 1.587 4.533 0 O-C-N 127.634 3.084 . . . . 0.0 115.4 176.481 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.251 82.1 Cg_endo -82.81 -31.76 0.7 Allowed 'Trans proline' 1 CA--C 1.613 4.428 0 CA-C-N 121.741 2.77 . . . . 0.0 119.113 168.982 . . . . . . . . 3 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.91 -69.05 0.39 Allowed 'General case' 0 C--N 1.287 -2.109 1 CA-C-O 109.814 -4.898 . . . . 0.0 105.627 175.927 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.504 ' O ' ' SG ' ' A' ' 27' ' ' CYS 0.254 32.1 p -107.92 91.84 8.26 Favored Pre-proline 2 N--CA 1.6 7.042 2 CA-C-O 107.689 -5.91 . . . . 0.0 106.799 173.543 . . . . . . . . 5 3 . 1 . 023 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -74.97 145.8 31.99 Favored 'Trans proline' 1 N--CA 1.564 5.676 0 CA-C-N 128.28 3.993 . . . . 0.0 109.324 -175.634 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 53.53 26.46 5.63 Favored 'General case' 1 CA--C 1.647 4.684 1 N-CA-C 121.831 4.012 . . . . 0.0 121.831 -174.391 . . . . . . . . 3 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.9 t -80.08 -14.15 58.74 Favored 'General case' 0 C--N 1.423 3.78 1 CA-C-O 110.25 -4.691 . . . . 0.0 116.778 171.811 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ttt -77.29 -53.17 8.03 Favored 'General case' 1 CA--C 1.682 6.024 2 CA-C-N 134.66 7.936 . . . . 0.0 106.986 -173.187 . . . . . . . . 3 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -44.07 -44.87 7.75 Favored 'General case' 0 C--N 1.393 2.466 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.312 . . -59.34 -48.09 82.94 Favored 'General case' 1 N--CA 1.602 7.161 0 CA-C-O 112.184 -3.769 . . . . 0.0 113.138 174.9 . . . . . . . . 3 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -32.61 -49.55 0.22 Allowed 'General case' 1 CA--C 1.704 6.898 1 O-C-N 129.372 4.17 . . . . 0.0 114.214 169.652 . . . . . . . . 3 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.473 1.1 mt -60.33 -38.35 83.47 Favored 'General case' 0 CA--C 1.446 -3.041 0 C-N-CA 129.435 3.094 . . . . 0.0 114.922 -172.145 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.633 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 2.0 mt-30 -60.19 -63.27 4.46 Favored Pre-proline 1 N--CA 1.541 4.106 1 CA-C-O 108.372 -5.585 . . . . 0.0 112.145 170.362 . . . . . . . . 4 3 . 1 . 023 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.633 ' HD3' ' HB2' ' A' ' 36' ' ' GLN 0.291 18.5 Cg_endo -64.39 -35.66 48.81 Favored 'Trans proline' 0 C--O 1.306 3.877 2 C-N-CA 129.157 6.571 . . . . 0.0 121.259 178.547 . . . . . . . . 4 3 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.42 5.0 pt-20 . . . . . 0 C--N 1.413 3.332 0 O-C-N 126.901 2.626 . . . . 0.0 107.36 -167.876 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.279 7.2 t . . . . . 0 N--CA 1.419 -1.991 0 N-CA-C 119.38 3.104 . . . . 0.0 119.38 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.312 0.6 OUTLIER -41.69 -63.46 0.71 Allowed 'General case' 1 C--N 1.443 4.669 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -170.28 . . . . . . . . 4 3 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.293 12.4 tp10 -62.99 -53.04 58.79 Favored Pre-proline 1 N--CA 1.58 6.058 1 CA-C-O 110.326 -4.654 . . . . 0.0 109.55 -168.455 . . . . . . . . 4 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -70.09 -52.14 0.32 Allowed 'Trans proline' 1 N--CA 1.588 7.051 2 CA-C-N 131.533 5.155 . . . . 0.0 125.023 178.725 . . . . . . . . 3 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 m -73.1 -63.7 1.12 Allowed 'General case' 1 CA--C 1.7 6.741 1 O-C-N 115.696 -4.377 . . . . 0.0 112.452 -173.48 . . . . . . . . 3 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.432 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.422 80.7 m -45.38 -35.36 3.57 Favored 'General case' 1 C--O 1.329 5.278 0 O-C-N 128.482 3.614 . . . . 0.0 115.104 -176.657 . . . . . . . . 4 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.262 4.2 ttt180 -67.54 -52.97 32.58 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-O 115.005 -2.426 . . . . 0.0 107.665 175.613 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.604 62.6 m-20 -54.12 -49.96 67.97 Favored 'General case' 3 C--O 1.323 4.962 0 CA-C-O 111.763 -3.97 . . . . 0.0 113.202 166.163 . . . . . . . . 3 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.258 2.2 ptp180 -56.37 -37.71 70.44 Favored 'General case' 1 CA--C 1.634 4.178 0 O-C-N 129.072 3.983 . . . . 0.0 109.918 177.033 . . . . . . . . 4 3 . 1 . 024 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.399 4.9 m -40.89 -33.54 0.31 Allowed 'General case' 1 N--CA 1.54 4.031 0 N-CA-C 120.937 3.681 . . . . 0.0 120.937 167.629 . . . . . . . . 3 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.331 3.6 mpt_? -64.1 -27.45 69.1 Favored 'General case' 2 CA--C 1.665 5.399 0 O-C-N 116.994 -3.566 . . . . 0.0 111.558 171.636 . . . . . . . . 3 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 26.6 m170 -65.07 -34.3 78.09 Favored 'General case' 0 C--O 1.275 2.429 1 CA-C-O 111.065 -4.302 . . . . 0.0 109.524 165.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.313 5.7 tt -47.58 -42.4 43.25 Favored Pre-proline 0 N--CA 1.529 3.522 1 N-CA-C 121.824 4.009 . . . . 0.0 121.824 -165.927 . . . . . . . . 3 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -45.87 -45.33 17.32 Favored 'Trans proline' 1 N--CA 1.589 7.146 0 C-N-CA 124.716 3.611 . . . . 0.0 117.83 163.294 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 19' ' ' GLN . 3.4 pp -71.01 -32.12 68.82 Favored 'General case' 2 N--CA 1.548 4.455 0 O-C-N 116.673 -3.767 . . . . 0.0 116.259 175.356 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.502 ' N ' HD12 ' A' ' 18' ' ' LEU 0.626 3.8 tt0 61.71 62.2 1.32 Allowed 'General case' 0 CA--C 1.601 2.906 1 O-C-N 114.332 -5.23 . . . . 0.0 116.221 169.995 . . . . . . . . 4 3 . 1 . 024 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.53 -42.31 1.65 Allowed 'General case' 1 C--O 1.315 4.528 0 O-C-N 125.193 1.558 . . . . 0.0 112.986 165.237 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.306 0.3 OUTLIER -108.13 65.6 0.64 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 118.005 -2.934 . . . . 0.0 108.754 172.222 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.781 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -72.45 -55.07 7.6 Favored 'General case' 0 CA--C 1.575 1.925 0 N-CA-C 118.772 2.879 . . . . 0.0 118.772 168.646 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 p -77.82 -26.66 49.65 Favored 'General case' 1 CA--C 1.669 5.525 0 CA-C-N 110.811 -2.904 . . . . 0.0 115.954 162.362 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.91 101.07 0.04 OUTLIER Glycine 1 CA--C 1.602 5.483 0 CA-C-O 118.984 -0.898 . . . . 0.0 115.041 172.468 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.357 7.2 Cg_endo -62.62 -5.34 6.98 Favored 'Trans proline' 0 C--N 1.379 2.15 2 CA-C-N 126.907 5.353 . . . . 0.0 125.236 -170.879 . . . . . . . . 3 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.278 1.1 mp -104.75 -35.5 7.75 Favored 'General case' 1 CA--C 1.673 5.708 0 CA-C-O 115.241 -2.314 . . . . 0.0 112.679 -178.817 . . . . . . . . 3 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 15.3 p -123.04 104.61 35.34 Favored Pre-proline 1 CA--C 1.737 8.154 0 CA-C-O 124.992 2.329 . . . . 0.0 104.75 169.274 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -92.42 90.29 0.19 Allowed 'Trans proline' 0 CA--C 1.591 3.348 1 CA-C-O 131.774 4.822 . . . . 0.0 110.651 -171.634 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 87.56 55.16 0.01 OUTLIER 'General case' 1 N--CA 1.543 4.213 1 CA-C-N 105.624 -5.262 . . . . 0.0 112.801 -175.083 . . . . . . . . 3 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.588 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.448 37.1 t -97.7 -11.53 23.38 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 119.492 3.145 . . . . 0.0 119.492 167.226 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.303 2.5 ttp -76.05 -14.55 60.21 Favored 'General case' 0 C--N 1.398 2.681 1 O-C-N 116.276 -4.015 . . . . 0.0 120.084 -178.02 . . . . . . . . 3 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.526 ' C ' ' CA ' ' A' ' 33' ' ' ALA . 4.1 pttt -79.04 -35.13 43.14 Favored 'General case' 0 C--N 1.381 1.967 0 C-N-CA 124.684 1.194 . . . . 0.0 111.958 174.873 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 1.551 ' N ' ' CA ' ' A' ' 33' ' ' ALA 0.376 . . -69.67 -36.79 76.33 Favored 'General case' 1 N--CA 1.694 11.757 0 O-C-N 118.75 -2.469 . . . . 0.0 108.669 174.052 . . . . . . . . 4 3 . 1 . 024 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 m -43.36 -39.65 3.26 Favored 'General case' 0 C--O 1.188 -2.145 0 N-CA-C 120.817 3.636 . . . . 0.0 120.817 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mp -67.12 -39.38 86.63 Favored 'General case' 0 CA--C 1.612 3.363 1 CA-C-O 111.647 -4.025 . . . . 0.0 115.02 176.281 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.298 7.3 mt-30 -64.07 -64.56 2.72 Favored Pre-proline 0 CA--C 1.602 2.944 2 CA-C-O 109.083 -5.246 . . . . 0.0 110.652 -175.232 . . . . . . . . 3 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -74.42 -15.34 22.34 Favored 'Trans proline' 0 C--O 1.286 2.905 0 CA-C-N 126.383 3.315 . . . . 0.0 115.193 166.401 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.319 0.2 OUTLIER . . . . . 0 N--CA 1.523 3.197 2 CA-C-N 129.673 5.669 . . . . 0.0 113.085 168.496 . . . . . . . . 3 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.274 13.2 t . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.996 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.34 -67.91 0.18 Allowed 'General case' 2 C--N 1.497 6.986 0 CA-C-O 123.564 1.649 . . . . 0.0 114.107 -165.227 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.266 14.2 tp10 -55.35 -53.54 60.86 Favored Pre-proline 0 N--CA 1.531 3.587 0 CA-C-O 112.416 -3.659 . . . . 0.0 119.445 -172.264 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 1.503 ' CA ' ' C ' ' A' ' 7' ' ' PRO . 20.0 Cg_endo -71.67 -55.13 0.13 Allowed 'Trans proline' 2 CA--C 1.77 12.309 1 CA-C-N 133.226 5.759 . . . . 0.0 115.372 177.529 . . . . . . . . 4 3 . 1 . 025 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.452 ' N ' ' CA ' ' A' ' 7' ' ' PRO . 2.4 m -71.24 -57.14 4.77 Favored 'General case' 0 CA--C 1.609 3.227 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -171.596 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.498 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.286 77.8 m -55.71 -33.76 64.49 Favored 'General case' 0 CA--C 1.625 3.828 0 N-CA-C 118.825 2.898 . . . . 0.0 118.825 -174.875 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -55.09 -56.48 19.35 Favored 'General case' 0 CA--C 1.607 3.149 0 CA-C-O 113.603 -3.094 . . . . 0.0 109.922 166.481 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.452 75.3 m-20 -56.95 -45.04 83.09 Favored 'General case' 1 CA--C 1.648 4.726 0 CA-C-N 121.498 1.953 . . . . 0.0 113.768 171.878 . . . . . . . . 3 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.503 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.52 0.3 OUTLIER -54.79 -34.67 62.97 Favored 'General case' 0 CA--C 1.579 2.067 1 CA-C-O 110.915 -4.374 . . . . 0.0 111.663 170.353 . . . . . . . . 5 4 . 1 . 025 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.391 4.8 m -52.56 -31.51 36.33 Favored 'General case' 1 CA--C 1.65 4.81 0 CA-C-N 124.191 3.178 . . . . 0.0 116.932 170.815 . . . . . . . . 3 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.344 2.1 mpt_? -61.13 -32.22 71.92 Favored 'General case' 1 C--O 1.359 6.866 0 O-C-N 127.951 3.282 . . . . 0.0 113.426 168.35 . . . . . . . . 3 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.503 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 44.0 m170 -58.6 -23.71 59.34 Favored 'General case' 1 CA--C 1.664 5.33 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 169.145 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.541 4.8 tt -49.51 -51.54 57.82 Favored Pre-proline 0 N--CA 1.521 3.091 0 N-CA-C 117.423 2.379 . . . . 0.0 117.423 -166.118 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 1.565 ' CD ' ' CG ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -48.11 -38.79 33.05 Favored 'Trans proline' 1 N--CA 1.539 4.168 1 CA-C-O 108.808 -4.747 . . . . 0.0 115.807 164.302 . . . . . . . . 5 4 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 19' ' ' GLN . 3.2 pp -74.37 -34.38 63.34 Favored 'General case' 1 N--CA 1.567 5.419 0 CA-C-N 123.889 3.04 . . . . 0.0 117.089 170.791 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.558 ' N ' HD12 ' A' ' 18' ' ' LEU 0.518 4.0 tt0 66.58 63.06 0.52 Allowed 'General case' 1 N--CA 1.561 5.105 0 C-N-CA 131.211 3.804 . . . . 0.0 115.208 168.295 . . . . . . . . 4 3 . 1 . 025 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.402 ' CE1' HD13 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -123.67 -37.44 2.63 Favored 'General case' 0 CA--C 1.628 3.961 1 O-C-N 114.93 -4.856 . . . . 0.0 115.904 161.941 . . . . . . . . 4 4 . 1 . 025 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.51 61.59 0.67 Allowed 'General case' 1 CA--C 1.643 4.539 0 O-C-N 128.777 3.798 . . . . 0.0 112.571 173.392 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.496 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -67.29 -52.69 37.48 Favored 'General case' 0 C--O 1.271 2.229 0 O-C-N 128.608 3.693 . . . . 0.0 118.996 167.747 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.362 54.2 p -90.77 -11.39 39.64 Favored 'General case' 0 CA--C 1.589 2.465 0 CA-C-O 125.083 2.373 . . . . 0.0 113.997 167.305 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.25 95.16 0.01 OUTLIER Glycine 3 CA--C 1.625 6.943 2 O-C-N 113.289 -5.882 . . . . 0.0 117.364 173.137 . . . . . . . . 3 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.555 10.0 Cg_endo -45.91 -16.94 0.23 Allowed 'Trans proline' 0 CA--C 1.589 3.251 1 N-CA-C 125.558 5.176 . . . . 0.0 125.558 -176.149 . . . . . . . . 3 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.97 -44.44 8.06 Favored 'General case' 0 C--N 1.264 -3.124 0 N-CA-C 119.127 3.01 . . . . 0.0 119.127 177.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.597 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 12.2 p -117.54 91.94 39.42 Favored Pre-proline 2 CA--C 1.68 5.953 0 C-N-CA 128.737 2.815 . . . . 0.0 111.578 171.261 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.93 92.1 1.16 Allowed 'Trans proline' 2 N--CA 1.546 4.61 0 C-N-CA 123.156 2.57 . . . . 0.0 112.168 -169.72 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.362 . . 81.88 50.75 0.02 OUTLIER 'General case' 0 CA--C 1.602 2.943 0 N-CA-C 118.799 2.888 . . . . 0.0 118.799 -170.399 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.597 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 47.0 t -100.44 -16.6 17.52 Favored 'General case' 1 CA--C 1.662 5.258 0 CA-C-O 116.273 -1.822 . . . . 0.0 112.436 177.354 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ttp -73.39 -16.1 61.34 Favored 'General case' 0 N--CA 1.5 2.03 1 N-CA-C 124.044 4.831 . . . . 0.0 124.044 179.75 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -82.78 -35.49 26.46 Favored 'General case' 0 C--N 1.257 -3.439 0 CA-C-N 112.418 -2.173 . . . . 0.0 113.953 177.244 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.321 . . -67.64 -35.63 79.27 Favored 'General case' 1 C--N 1.47 5.834 0 CA-C-O 116.335 -1.793 . . . . 0.0 114.199 168.697 . . . . . . . . 3 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 m -42.47 -40.33 2.55 Favored 'General case' 0 N--CA 1.526 3.368 0 CA-C-O 115.469 -2.205 . . . . 0.0 116.48 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mp -69.46 -37.45 77.31 Favored 'General case' 0 C--N 1.267 -3.018 0 CA-C-O 114.547 -2.644 . . . . 0.0 113.946 179.272 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -73.39 -56.33 3.2 Favored Pre-proline 0 CA--C 1.596 2.732 0 CA-C-O 113.109 -3.329 . . . . 0.0 108.084 -171.814 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -74.0 -18.7 21.21 Favored 'Trans proline' 1 CA--C 1.619 4.726 1 CA-C-O 110.184 -4.173 . . . . 0.0 118.856 167.701 . . . . . . . . 4 3 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 2 CA--C 1.648 4.725 0 O-C-N 126.964 2.665 . . . . 0.0 114.986 168.164 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.8 t . . . . . 2 N--CA 1.595 6.777 1 CA-C-O 111.166 -4.254 . . . . 0.0 107.737 . . . . . . . . . 2 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.31 1.7 pt-20 -33.35 -66.71 0.14 Allowed 'General case' 0 N--CA 1.538 3.967 0 O-C-N 128.485 3.616 . . . . 0.0 118.47 -167.645 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.363 16.1 tp10 -55.95 -51.87 77.03 Favored Pre-proline 0 C--N 1.273 -2.748 1 N-CA-C 126.815 5.857 . . . . 0.0 126.815 -177.187 . . . . . . . . 3 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 1.515 ' CA ' ' C ' ' A' ' 7' ' ' PRO . 36.5 Cg_endo -72.65 -49.85 0.25 Allowed 'Trans proline' 1 CA--C 1.769 12.258 0 CA-C-N 124.82 2.757 . . . . 0.0 118.121 169.597 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -45.95 17.26 Favored 'General case' 0 CA--C 1.478 -1.796 2 N-CA-C 123.011 4.448 . . . . 0.0 123.011 -174.577 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.412 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 71.9 m -68.64 -33.02 73.29 Favored 'General case' 1 C--O 1.325 5.066 0 O-C-N 116.345 -3.972 . . . . 0.0 116.07 -179.86 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.349 2.6 ttt180 -57.8 -47.97 81.05 Favored 'General case' 1 N--CA 1.557 4.876 2 O-C-N 115.967 -4.208 . . . . 0.0 115.758 160.897 . . . . . . . . 4 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -66.26 -25.14 66.75 Favored 'General case' 0 N--CA 1.512 2.664 1 CA-C-N 126.492 4.224 . . . . 0.0 113.831 170.846 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.552 0.2 OUTLIER -62.56 -35.97 81.17 Favored 'General case' 1 N--CA 1.583 6.175 1 O-C-N 114.374 -5.204 . . . . 0.0 112.924 164.94 . . . . . . . . 6 4 . 1 . 026 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -55.42 -33.17 63.31 Favored 'General case' 0 C--N 1.415 3.437 0 O-C-N 116.924 -3.61 . . . . 0.0 117.743 172.605 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.297 2.1 mpt_? -52.19 -34.56 45.86 Favored 'General case' 1 CA--C 1.63 4.035 0 O-C-N 128.877 3.861 . . . . 0.0 118.934 165.657 . . . . . . . . 3 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.559 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.273 53.0 m170 -50.33 -34.97 25.61 Favored 'General case' 1 CA--C 1.666 5.427 1 CA-C-N 105.301 -5.409 . . . . 0.0 118.708 167.736 . . . . . . . . 5 3 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.416 HD23 ' HD3' ' A' ' 17' ' ' PRO 0.401 3.9 tt -50.64 -53.02 50.82 Favored Pre-proline 1 N--CA 1.595 6.798 2 O-C-N 115.077 -4.764 . . . . 0.0 106.612 -155.796 . . . . . . . . 5 3 . 1 . 026 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HD3' HD23 ' A' ' 16' ' ' LEU . 15.7 Cg_exo -47.55 -45.89 22.03 Favored 'Trans proline' 2 N--CA 1.38 -5.163 2 C-N-CA 127.386 5.391 . . . . 0.0 113.503 164.714 . . . . . . . . 4 3 . 1 . 026 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 19' ' ' GLN 0.506 1.7 pp -57.33 -47.53 81.32 Favored 'General case' 0 CA--C 1.608 3.189 2 CA-C-N 128.195 4.998 . . . . 0.0 122.028 170.103 . . . . . . . . 4 3 . 1 . 026 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.527 ' N ' HD12 ' A' ' 18' ' ' LEU 0.356 6.3 tt0 70.52 56.81 0.26 Allowed 'General case' 0 C--N 1.415 3.425 0 N-CA-C 119.795 3.257 . . . . 0.0 119.795 172.363 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.488 ' CE1' HD13 ' A' ' 18' ' ' LEU . 2.6 p90 -123.71 -32.34 3.33 Favored 'General case' 2 N--CA 1.616 7.858 1 O-C-N 116.223 -4.048 . . . . 0.0 111.446 168.669 . . . . . . . . 4 3 . 1 . 026 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.305 0.2 OUTLIER -116.34 48.65 1.23 Allowed 'General case' 0 CA--C 1.572 1.818 0 CA-C-O 126.988 3.28 . . . . 0.0 118.236 177.804 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.491 0.0 OUTLIER -58.07 -67.41 0.35 Allowed 'General case' 0 C--N 1.393 2.462 1 C-N-CA 133.126 4.57 . . . . 0.0 112.284 171.868 . . . . . . . . 4 3 . 1 . 026 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 52.8 p -84.19 -9.19 58.75 Favored 'General case' 1 CA--C 1.636 4.257 1 O-C-N 129.607 4.317 . . . . 0.0 111.1 173.684 . . . . . . . . 3 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.67 97.48 0.01 OUTLIER Glycine 2 N--CA 1.6 9.608 1 CA-C-O 113.208 -4.107 . . . . 0.0 120.059 -177.571 . . . . . . . . 3 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.323 1.7 Cg_endo -48.15 -15.96 0.53 Allowed 'Trans proline' 2 N--CA 1.572 6.119 0 CA-C-N 123.761 3.781 . . . . 0.0 118.577 -179.208 . . . . . . . . 3 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.53 -35.78 9.41 Favored 'General case' 1 C--N 1.429 4.053 0 O-C-N 118.167 -2.833 . . . . 0.0 117.279 -176.466 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.664 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 16.1 p -123.09 88.01 51.07 Favored Pre-proline 1 C--N 1.443 4.651 0 O-C-N 120.002 -1.686 . . . . 0.0 112.578 171.263 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -68.01 93.9 0.4 Allowed 'Trans proline' 2 C--N 1.511 9.103 1 C-N-CA 126.356 4.704 . . . . 0.0 116.829 -170.412 . . . . . . . . 3 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.371 . . 76.74 58.96 0.04 OUTLIER 'General case' 1 CA--C 1.652 4.903 1 O-C-N 129.767 4.417 . . . . 0.0 115.932 -169.696 . . . . . . . . 4 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.664 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 53.8 t -110.31 -14.72 14.1 Favored 'General case' 0 CA--C 1.62 3.638 0 O-C-N 119.289 -2.132 . . . . 0.0 111.996 176.724 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ttp -73.75 -16.96 61.16 Favored 'General case' 0 CA--C 1.607 3.168 0 N-CA-C 121.456 3.873 . . . . 0.0 121.456 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -86.39 -27.24 24.33 Favored 'General case' 0 CA--C 1.619 3.601 1 CA-C-O 110.621 -4.514 . . . . 0.0 119.613 171.72 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.403 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.338 . . -69.62 -34.74 74.51 Favored 'General case' 0 C--O 1.209 -1.032 1 O-C-N 131.33 5.394 . . . . 0.0 115.898 165.688 . . . . . . . . 4 3 . 1 . 026 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.288 17.2 m -48.92 -37.97 21.45 Favored 'General case' 0 CA--C 1.618 3.567 0 N-CA-C 121.309 3.818 . . . . 0.0 121.309 -176.446 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.296 4.6 mp -58.36 -49.19 78.11 Favored 'General case' 1 C--N 1.432 4.164 0 CA-C-N 111.964 -2.38 . . . . 0.0 113.254 174.211 . . . . . . . . 3 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -65.24 -56.45 19.79 Favored Pre-proline 1 C--N 1.444 4.694 0 C-N-CA 114.678 -2.809 . . . . 0.0 112.236 -168.679 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.452 6.3 Cg_exo -64.11 -30.47 65.56 Favored 'Trans proline' 1 C--N 1.428 4.741 1 CA-C-O 108.853 -4.728 . . . . 0.0 115.819 171.72 . . . . . . . . 5 3 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.292 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.841 1 CA-C-N 128.719 5.236 . . . . 0.0 113.12 171.347 . . . . . . . . 3 2 . 1 . 027 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.0 t . . . . . 2 N--CA 1.583 6.2 0 CA-C-O 115.07 -2.395 . . . . 0.0 108.582 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.354 0.6 OUTLIER -21.44 -79.58 0.01 OUTLIER 'General case' 1 CA--C 1.698 6.651 0 CA-C-O 112.096 -3.811 . . . . 0.0 114.702 -172.783 . . . . . . . . 4 3 . 1 . 027 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -54.91 -41.09 88.58 Favored Pre-proline 0 CA--C 1.612 3.336 2 O-C-N 130.764 5.04 . . . . 0.0 123.25 -164.163 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.35 -62.92 0.03 OUTLIER 'Trans proline' 1 N--CA 1.54 4.252 0 C-N-CA 123.659 2.906 . . . . 0.0 113.384 172.497 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.324 1.6 m -70.58 -45.44 65.37 Favored 'General case' 2 C--N 1.448 4.88 0 N-CA-C 120.464 3.505 . . . . 0.0 120.464 -164.613 . . . . . . . . 3 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.466 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.437 45.0 m -72.31 -36.81 68.99 Favored 'General case' 1 N--CA 1.591 6.608 2 O-C-N 131.845 5.716 . . . . 0.0 110.514 -166.181 . . . . . . . . 5 3 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.392 3.9 ttt180 -65.37 -36.28 83.5 Favored 'General case' 0 C--N 1.428 3.99 0 N-CA-C 118.192 2.664 . . . . 0.0 118.192 174.475 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -70.23 -34.21 72.58 Favored 'General case' 0 C--O 1.169 -3.146 0 CA-C-O 115.176 -2.345 . . . . 0.0 112.3 165.916 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HG2' ' HA ' ' A' ' 9' ' ' CYS 0.3 0.1 OUTLIER -60.98 -30.19 70.12 Favored 'General case' 0 CA--C 1.44 -3.267 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 162.326 . . . . . . . . 4 4 . 1 . 027 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.334 54.9 m -50.68 -45.85 58.4 Favored 'General case' 2 N--CA 1.552 4.635 0 CA-C-O 126.776 3.179 . . . . 0.0 109.833 178.239 . . . . . . . . 3 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.409 ' H ' ' HD2' ' A' ' 14' ' ' ARG . 2.3 mpt_? -52.12 -31.94 33.15 Favored 'General case' 1 N--CA 1.542 4.128 1 CA-C-O 109.082 -5.247 . . . . 0.0 109.909 169.412 . . . . . . . . 4 3 . 1 . 027 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.677 ' HB3' HD11 ' A' ' 18' ' ' LEU 0.334 2.9 m170 -55.92 -29.86 60.74 Favored 'General case' 0 C--O 1.153 -3.981 1 CA-C-N 129.759 5.709 . . . . 0.0 116.04 168.687 . . . . . . . . 4 3 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -51.01 -52.06 61.74 Favored Pre-proline 1 CA--C 1.635 4.213 1 CA-C-O 108.219 -5.658 . . . . 0.0 109.527 -167.333 . . . . . . . . 3 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 1.477 ' CD ' ' CG ' ' A' ' 17' ' ' PRO 0.377 41.7 Cg_exo -42.63 -36.1 4.55 Favored 'Trans proline' 0 CA--C 1.579 2.733 1 CA-C-N 128.599 4.107 . . . . 0.0 121.744 165.655 . . . . . . . . 4 3 . 1 . 027 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' A' ' 15' ' ' HIS 0.449 2.0 pp -74.47 -50.33 18.72 Favored 'General case' 1 N--CA 1.56 5.057 0 O-C-N 119.492 -2.005 . . . . 0.0 109.67 -176.392 . . . . . . . . 4 3 . 1 . 027 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 72.17 57.35 0.15 Allowed 'General case' 0 C--O 1.205 -1.276 1 N-CA-C 126.819 5.859 . . . . 0.0 126.819 172.755 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 2.3 p90 -127.71 -34.32 2.2 Favored 'General case' 0 N--CA 1.53 3.528 0 CA-C-N 112.574 -2.103 . . . . 0.0 112.438 171.347 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.41 65.0 0.83 Allowed 'General case' 0 C--N 1.384 2.099 0 CA-C-O 124.99 2.329 . . . . 0.0 107.162 174.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.516 ' H ' ' HD3' ' A' ' 22' ' ' ARG 0.251 0.0 OUTLIER -68.14 -51.61 44.11 Favored 'General case' 0 C--O 1.289 3.136 1 C-N-CA 132.336 4.255 . . . . 0.0 113.183 165.17 . . . . . . . . 5 4 . 1 . 027 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.3 p -100.6 5.52 43.94 Favored 'General case' 0 CA--C 1.619 3.602 0 CA-C-N 109.415 -3.538 . . . . 0.0 114.899 179.192 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 30.95 96.92 0.01 OUTLIER Glycine 1 N--CA 1.663 13.773 0 O-C-N 127.432 2.958 . . . . 0.0 120.383 -169.829 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.38 4.0 Cg_exo -29.68 -19.64 0.01 OUTLIER 'Trans proline' 1 N--CA 1.611 8.419 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 172.483 . . . . . . . . 3 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.17 -44.86 7.44 Favored 'General case' 0 CA--C 1.454 -2.73 0 N-CA-C 119.549 3.166 . . . . 0.0 119.549 -179.212 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.1 p -120.04 104.3 44.11 Favored Pre-proline 0 C--N 1.251 -3.679 2 O-C-N 110.118 -7.864 . . . . 0.0 103.03 174.016 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -85.25 99.96 0.69 Allowed 'Trans proline' 2 CA--C 1.636 5.613 3 C-N-CA 128.571 6.18 . . . . 0.0 108.608 -164.853 . . . . . . . . 3 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.534 . . 77.11 59.21 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 124.337 3.244 . . . . 0.0 111.425 -175.702 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.5 t -112.11 -27.78 8.24 Favored 'General case' 0 CA--C 1.606 3.122 0 CA-C-N 111.081 -2.781 . . . . 0.0 114.061 167.243 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.5 ttp -52.34 -16.79 0.93 Allowed 'General case' 1 C--N 1.432 4.16 0 N-CA-C 119.497 3.147 . . . . 0.0 119.497 173.847 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -93.03 -32.8 14.36 Favored 'General case' 1 CA--C 1.689 6.323 0 O-C-N 117.765 -3.084 . . . . 0.0 109.627 -170.218 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.591 ' O ' ' HD2' ' A' ' 37' ' ' PRO . . . -56.77 -34.75 67.92 Favored 'General case' 0 N--CA 1.529 3.492 1 CA-C-O 110.463 -4.589 . . . . 0.0 114.011 160.829 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.5 m -50.49 -36.47 33.94 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 124.717 3.417 . . . . 0.0 111.468 -171.782 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.331 5.2 mp -65.78 -53.45 40.26 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 174.398 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.255 33.6 mt-30 -58.14 -53.95 60.68 Favored Pre-proline 1 N--CA 1.545 4.286 1 O-C-N 111.602 -6.936 . . . . 0.0 115.39 178.274 . . . . . . . . 4 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.591 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.343 7.7 Cg_exo -57.64 -36.92 98.37 Favored 'Trans proline' 1 N--CA 1.563 5.559 0 C-N-CA 124.791 3.661 . . . . 0.0 115.226 172.303 . . . . . . . . 4 3 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.383 0.0 OUTLIER . . . . . 1 C--N 1.506 7.374 0 O-C-N 127.355 2.909 . . . . 0.0 116.686 -178.814 . . . . . . . . 3 2 . 1 . 028 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.405 6.2 t . . . . . 1 N--CA 1.547 4.399 0 CA-C-O 115.239 -2.315 . . . . 0.0 113.262 . . . . . . . . . 3 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.527 ' OE1' ' HG2' ' A' ' 37' ' ' PRO 0.337 1.1 pt-20 -29.14 -66.53 0.09 Allowed 'General case' 0 C--N 1.276 -2.627 1 O-C-N 132.15 5.906 . . . . 0.0 121.733 -172.393 . . . . . . . . 4 3 . 1 . 028 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.656 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 15.3 tp10 -69.37 -61.37 3.3 Favored Pre-proline 1 CA--C 1.69 6.358 2 N-CA-C 125.078 5.214 . . . . 0.0 125.078 -168.024 . . . . . . . . 4 3 . 1 . 028 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' A' ' 6' ' ' GLU . 95.3 Cg_endo -72.11 -40.36 2.53 Favored 'Trans proline' 0 CA--C 1.486 -1.894 0 C-N-CA 124.536 3.491 . . . . 0.0 118.543 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.6 m -73.67 -46.21 47.88 Favored 'General case' 1 C--N 1.443 4.642 0 N-CA-C 117.055 2.242 . . . . 0.0 117.055 175.59 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.428 29.7 m -72.56 -40.89 66.3 Favored 'General case' 0 CA--C 1.623 3.776 0 CA-C-N 109.331 -3.577 . . . . 0.0 114.148 -170.518 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.22 -40.79 74.62 Favored 'General case' 1 CA--C 1.636 4.256 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 165.631 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -64.52 -39.87 94.57 Favored 'General case' 1 N--CA 1.55 4.553 0 CA-C-N 124.361 3.255 . . . . 0.0 105.99 168.063 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.526 0.3 OUTLIER -49.24 -30.24 6.86 Favored 'General case' 1 C--N 1.473 5.951 0 N-CA-C 121.602 3.927 . . . . 0.0 121.602 164.762 . . . . . . . . 4 3 . 1 . 028 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.432 28.6 m -56.24 -35.17 67.08 Favored 'General case' 0 C--N 1.414 3.382 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 179.075 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.21 -32.63 56.27 Favored 'General case' 0 C--N 1.391 2.392 0 CA-C-N 111.738 -2.483 . . . . 0.0 116.615 165.285 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.418 0.5 OUTLIER -49.48 -26.84 3.69 Favored 'General case' 1 N--CA 1.541 4.103 0 N-CA-C 118.824 2.898 . . . . 0.0 118.824 159.089 . . . . . . . . 4 3 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -40.73 86.62 Favored Pre-proline 1 N--CA 1.541 4.122 2 CA-C-O 108.937 -5.316 . . . . 0.0 113.435 -173.437 . . . . . . . . 4 3 . 1 . 028 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.436 6.1 Cg_exo -53.13 -52.34 8.99 Favored 'Trans proline' 0 CA--C 1.587 3.171 2 C-N-CA 129.896 7.064 . . . . 0.0 118.713 172.469 . . . . . . . . 3 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.353 4.1 pp -67.64 -30.36 69.9 Favored 'General case' 1 N--CA 1.586 6.368 1 CA-C-N 104.209 -5.905 . . . . 0.0 118.632 -173.936 . . . . . . . . 4 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.278 7.1 tt0 62.26 58.35 1.79 Allowed 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 123.428 1.585 . . . . 0.0 114.445 172.827 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.498 0.8 OUTLIER -145.36 -29.79 0.43 Allowed 'General case' 1 N--CA 1.547 4.376 0 N-CA-C 117.699 2.481 . . . . 0.0 117.699 170.878 . . . . . . . . 4 3 . 1 . 028 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.381 6.6 t -126.64 80.85 1.96 Allowed 'General case' 0 N--CA 1.496 1.874 1 N-CA-C 99.297 -4.334 . . . . 0.0 99.297 161.137 . . . . . . . . 3 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.688 ' H ' ' HD3' ' A' ' 22' ' ' ARG 0.362 0.0 OUTLIER -88.12 -51.73 5.63 Favored 'General case' 1 N--CA 1.623 8.222 0 CA-C-N 111.832 -2.44 . . . . 0.0 116.36 164.072 . . . . . . . . 5 4 . 1 . 028 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 p -74.94 -59.93 2.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 118.064 -2.897 . . . . 0.0 112.292 160.638 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.08 117.48 4.3 Favored Glycine 1 CA--C 1.661 9.201 0 CA-C-O 113.684 -3.842 . . . . 0.0 112.996 -168.504 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -77.48 4.95 5.51 Favored 'Trans proline' 0 C--N 1.382 2.328 0 CA-C-N 122.35 3.075 . . . . 0.0 116.172 170.927 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.49 2.5 mp -84.43 -74.78 0.37 Allowed 'General case' 1 N--CA 1.609 7.478 0 CA-C-O 114.441 -2.695 . . . . 0.0 108.058 166.559 . . . . . . . . 3 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.715 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 28.4 p -89.96 109.34 32.11 Favored Pre-proline 0 CA--C 1.567 1.631 0 C-N-CA 130.347 3.459 . . . . 0.0 107.38 169.185 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -67.21 114.18 3.13 Favored 'Trans proline' 1 CA--C 1.663 6.945 0 CA-C-N 121.583 1.601 . . . . 0.0 113.682 166.41 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.24 72.2 0.54 Allowed 'General case' 1 N--CA 1.574 5.761 2 O-C-N 135.206 7.816 . . . . 0.0 121.44 178.483 . . . . . . . . 3 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.715 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.343 44.3 t -115.11 -7.62 12.46 Favored 'General case' 0 CA--C 1.628 3.978 0 C-N-CA 125.219 1.407 . . . . 0.0 113.048 -166.903 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.365 33.5 ttp -87.1 -30.85 20.8 Favored 'General case' 1 CA--C 1.634 4.196 0 CA-C-O 111.773 -3.965 . . . . 0.0 116.852 -161.21 . . . . . . . . 3 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -70.16 -33.06 71.31 Favored 'General case' 0 CA--C 1.611 3.324 0 O-C-N 126.639 2.462 . . . . 0.0 114.619 -169.58 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.442 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.305 . . -67.8 -40.18 83.9 Favored 'General case' 1 N--CA 1.594 6.737 0 C-N-CA 131.143 3.777 . . . . 0.0 119.732 173.274 . . . . . . . . 4 3 . 1 . 028 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.257 26.9 m -39.56 -59.88 1.04 Allowed 'General case' 1 CA--C 1.71 7.097 0 C-N-CA 128.006 2.522 . . . . 0.0 107.452 160.472 . . . . . . . . 3 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mp -47.63 -40.7 20.27 Favored 'General case' 2 CA--C 1.702 6.798 1 CA-C-O 109.72 -4.943 . . . . 0.0 110.039 178.549 . . . . . . . . 3 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.358 4.6 mt-30 -65.83 -65.64 1.71 Allowed Pre-proline 2 N--CA 1.615 7.8 1 CA-C-O 111.668 -4.015 . . . . 0.0 106.467 170.394 . . . . . . . . 4 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HG2' ' OE1' ' A' ' 5' ' ' GLU 0.515 2.1 Cg_endo -58.0 -17.56 31.57 Favored 'Trans proline' 1 CA--C 1.604 4.015 1 CA-C-N 130.2 4.678 . . . . 0.0 116.655 -175.584 . . . . . . . . 5 3 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.351 1.7 pp20? . . . . . 2 CA--C 1.651 4.848 1 O-C-N 113.596 -5.69 . . . . 0.0 112.199 170.153 . . . . . . . . 3 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 116.998 -1.477 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.286 3.7 pt-20 -51.24 -62.86 1.36 Allowed 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.669 1.577 . . . . 0.0 114.143 -170.236 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.27 8.1 tp10 -68.47 -68.19 0.66 Allowed Pre-proline 0 CA--C 1.576 1.971 0 CA-C-O 113.884 -2.96 . . . . 0.0 113.579 -177.535 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.266 10.6 Cg_endo -71.23 -57.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.375 1.953 0 CA-C-N 127.488 3.71 . . . . 0.0 115.344 -177.179 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.276 15.8 m -73.62 -38.44 65.07 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 120.294 3.442 . . . . 0.0 120.294 -174.554 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -72.06 -30.28 64.98 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.869 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -62.92 -39.46 94.61 Favored 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 165.368 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -63.69 -29.22 70.47 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 164.12 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.46 1.3 ptp180 -66.89 -28.73 68.56 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 120.766 1.621 . . . . 0.0 114.786 165.194 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.303 7.1 m -60.18 -28.2 67.75 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 159.844 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.328 1.4 mpt_? -65.19 -24.64 67.43 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 163.429 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -67.31 -27.57 67.27 Favored 'General case' 0 CA--C 1.58 2.119 0 CA-C-N 119.048 0.84 . . . . 0.0 111.207 162.32 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.259 6.2 tt -65.48 -36.83 16.04 Favored Pre-proline 0 N--CA 1.499 1.99 0 CA-C-O 115.663 -2.113 . . . . 0.0 112.708 -175.785 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -48.17 -32.27 18.63 Favored 'Trans proline' 0 CA--C 1.578 2.704 0 CA-C-N 125.302 2.929 . . . . 0.0 116.531 160.457 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -87.89 -46.04 9.75 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 167.925 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.343 13.2 tt0 66.77 19.09 10.74 Favored 'General case' 0 CA--C 1.578 2.053 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 174.665 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.307 29.6 p90 -83.25 -36.02 24.89 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 119.918 -1.739 . . . . 0.0 113.727 165.388 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.2 t -86.34 45.55 1.25 Allowed 'General case' 0 CA--C 1.58 2.104 0 O-C-N 120.701 -1.25 . . . . 0.0 113.809 166.005 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -46.14 79.86 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 169.02 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -67.24 -54.44 20.92 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 110.784 -2.916 . . . . 0.0 113.616 166.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.86 78.16 0.12 Allowed Glycine 0 CA--C 1.559 2.782 0 CA-C-O 116.029 -2.539 . . . . 0.0 119.325 169.475 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -68.26 69.41 0.97 Allowed 'Trans proline' 0 CA--C 1.575 2.568 0 CA-C-N 123.35 3.575 . . . . 0.0 118.786 -175.348 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -126.44 -52.41 1.49 Allowed 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 124.376 1.07 . . . . 0.0 112.409 -176.426 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 7.0 p -137.04 144.14 45.06 Favored Pre-proline 0 CA--C 1.58 2.133 0 CA-C-N 119.572 1.078 . . . . 0.0 113.333 -176.897 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -76.11 98.59 1.21 Allowed 'Trans proline' 0 CA--C 1.569 2.259 0 C-N-CA 122.631 2.221 . . . . 0.0 115.099 -174.446 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.31 47.53 18.96 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -179.718 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.528 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 48.7 t -99.62 -10.45 21.99 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 -169.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -74.12 -37.77 64.01 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 170.801 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -58.56 -36.86 74.59 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 169.065 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.1 -41.75 75.72 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 167.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.2 m -49.43 -36.71 23.17 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 165.758 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.418 0.9 OUTLIER -72.56 -26.02 61.57 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 168.56 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.8 -45.48 79.91 Favored Pre-proline 0 CA--C 1.59 2.502 0 CA-C-N 121.264 1.847 . . . . 0.0 110.469 161.544 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -72.95 -49.03 0.25 Allowed 'Trans proline' 0 CA--C 1.578 2.715 0 CA-C-N 123.459 2.271 . . . . 0.0 117.191 160.875 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 N--CA 1.49 1.531 0 CA-C-N 122.956 2.616 . . . . 0.0 112.825 -175.238 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.379 6.0 p-90 . . . . . 0 N--CA 1.494 1.755 0 N-CA-C 119.143 3.016 . . . . 0.0 119.143 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mp -54.34 -44.5 72.18 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 167.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.279 6.6 tp -54.85 -36.75 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 163.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -61.17 -67.53 0.4 Allowed 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 116.998 -1.477 . . . . 0.0 111.625 167.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.286 3.7 pt-20 -51.24 -62.86 1.36 Allowed 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.669 1.577 . . . . 0.0 114.143 -170.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.27 8.0 tp10 -68.47 -68.19 0.66 Allowed Pre-proline 0 CA--C 1.576 1.971 0 CA-C-O 113.884 -2.96 . . . . 0.0 113.579 -177.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.266 10.6 Cg_endo -71.23 -57.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.375 1.953 0 CA-C-N 127.488 3.71 . . . . 0.0 115.344 -177.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.276 15.8 m -73.62 -38.44 65.07 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 120.294 3.442 . . . . 0.0 120.294 -174.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -72.06 -30.28 64.98 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -62.92 -39.46 94.61 Favored 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 165.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -63.69 -29.22 70.47 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 164.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.46 1.3 ptp180 -66.89 -28.73 68.56 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 120.766 1.621 . . . . 0.0 114.786 165.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.303 7.1 m -60.18 -28.2 67.75 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 159.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.328 1.4 mpt_? -65.19 -24.64 67.43 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 163.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -67.31 -27.57 67.27 Favored 'General case' 0 CA--C 1.58 2.119 0 CA-C-N 119.048 0.84 . . . . 0.0 111.207 162.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.259 6.2 tt -65.48 -36.83 16.04 Favored Pre-proline 0 N--CA 1.499 1.99 0 CA-C-O 115.663 -2.113 . . . . 0.0 112.708 -175.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -48.17 -32.27 18.63 Favored 'Trans proline' 0 CA--C 1.578 2.704 0 CA-C-N 125.302 2.929 . . . . 0.0 116.531 160.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -87.89 -46.04 9.75 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 167.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.343 13.2 tt0 66.77 19.09 10.74 Favored 'General case' 0 CA--C 1.578 2.053 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 174.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.307 29.6 p90 -83.25 -36.02 24.89 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 119.918 -1.739 . . . . 0.0 113.727 165.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.2 t -86.34 45.55 1.25 Allowed 'General case' 0 CA--C 1.58 2.104 0 O-C-N 120.701 -1.25 . . . . 0.0 113.809 166.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -46.14 79.86 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 169.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -67.24 -54.44 20.92 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 110.784 -2.916 . . . . 0.0 113.616 166.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.86 78.16 0.12 Allowed Glycine 0 CA--C 1.559 2.782 0 CA-C-O 116.029 -2.539 . . . . 0.0 119.325 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -68.26 69.41 0.97 Allowed 'Trans proline' 0 CA--C 1.575 2.568 0 CA-C-N 123.35 3.575 . . . . 0.0 118.786 -175.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -126.44 -52.41 1.49 Allowed 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 124.376 1.07 . . . . 0.0 112.409 -176.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 7.0 p -137.04 144.14 45.06 Favored Pre-proline 0 CA--C 1.58 2.133 0 CA-C-N 119.572 1.078 . . . . 0.0 113.333 -176.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -76.11 98.59 1.21 Allowed 'Trans proline' 0 CA--C 1.569 2.259 0 C-N-CA 122.631 2.221 . . . . 0.0 115.099 -174.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.31 47.53 18.96 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.528 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 48.7 t -99.62 -10.45 21.99 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 -169.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -74.12 -37.77 64.01 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 170.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -58.56 -36.86 74.59 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 169.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.1 -41.75 75.72 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 167.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.2 m -49.43 -36.71 23.17 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 165.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.418 0.9 OUTLIER -72.56 -26.02 61.57 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 168.56 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.8 -45.48 79.91 Favored Pre-proline 0 CA--C 1.59 2.502 0 CA-C-N 121.264 1.847 . . . . 0.0 110.469 161.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -72.95 -49.03 0.25 Allowed 'Trans proline' 0 CA--C 1.578 2.715 0 CA-C-N 123.459 2.271 . . . . 0.0 117.191 160.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--O 1.27 2.156 0 CA-C-N 122.956 2.616 . . . . 0.0 112.825 -175.238 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.377 10.8 p-90 . . . . . 0 N--CA 1.506 2.374 0 N-CA-C 115.856 1.799 . . . . 0.0 115.856 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.32 10.0 mp -49.57 -42.82 45.33 Favored 'General case' 1 N--CA 1.629 8.494 0 CA-C-N 113.116 -1.856 . . . . 0.0 111.143 167.876 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.421 ' O ' ' HG2' ' A' ' 7' ' ' PRO 0.403 5.6 tp -58.7 -39.79 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.342 0 C-N-CA 128.253 2.621 . . . . 0.0 108.96 168.425 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 9' ' ' CYS 0.278 4.1 t -69.5 -56.95 5.92 Favored 'General case' 2 C--N 1.46 5.37 0 O-C-N 127.07 2.731 . . . . 0.0 106.313 -179.257 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -66.21 -43.18 87.47 Favored 'General case' 0 CA--C 1.609 3.238 0 CA-C-O 114.074 -2.87 . . . . 0.0 114.67 -166.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 10' ' ' ARG 0.307 7.5 tp10 -75.97 -65.0 0.48 Allowed Pre-proline 0 C--N 1.366 1.325 0 CA-C-O 114.843 -2.503 . . . . 0.0 115.885 177.254 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HG2' ' O ' ' A' ' 3' ' ' ILE . 3.0 Cg_endo -72.43 -54.3 0.13 Allowed 'Trans proline' 1 N--CA 1.578 6.465 0 CA-C-N 126.634 3.405 . . . . 0.0 109.751 -177.244 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.276 93.9 m -77.76 -45.51 24.41 Favored 'General case' 1 N--CA 1.552 4.645 0 CA-C-O 125.168 2.414 . . . . 0.0 109.563 -161.403 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 4' ' ' CYS 0.319 0.5 OUTLIER -68.4 -33.39 74.15 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 118.044 -2.91 . . . . 0.0 113.513 178.849 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 6' ' ' GLU . 50.1 ttt-85 -57.88 -40.87 81.29 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 162.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.267 22.6 m-80 -60.88 -39.41 89.12 Favored 'General case' 1 N--CA 1.589 6.511 0 O-C-N 120.379 -1.451 . . . . 0.0 113.727 160.148 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.722 0.7 OUTLIER -49.84 -44.79 49.69 Favored 'General case' 1 CA--C 1.705 6.941 1 O-C-N 115.892 -4.255 . . . . 0.0 108.83 168.677 . . . . . . . . 6 4 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 1.475 ' CA ' ' C ' ' A' ' 13' ' ' THR . 75.1 m -60.51 -34.65 74.39 Favored 'General case' 1 CA--C 1.8 10.573 2 N-CA-C 98.717 -4.549 . . . . 0.0 98.717 -176.787 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.43 1.9 mpt_? -56.03 -35.31 66.72 Favored 'General case' 0 CA--C 1.612 3.35 0 O-C-N 118.227 -2.796 . . . . 0.0 112.209 166.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.375 9.9 m170 -51.8 -36.29 47.23 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 114.029 -2.891 . . . . 0.0 115.219 157.669 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.377 8.1 tt -67.83 -36.54 9.83 Favored Pre-proline 1 N--CA 1.616 7.829 0 C-N-CA 129.041 2.936 . . . . 0.0 103.693 -169.409 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' A' ' 13' ' ' THR . 94.9 Cg_exo -52.96 -41.18 73.08 Favored 'Trans proline' 0 CA--C 1.484 -1.983 2 O-C-N 109.822 -5.936 . . . . 0.0 113.919 167.135 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 pp -81.48 -39.48 24.72 Favored 'General case' 1 N--CA 1.589 6.503 1 O-C-N 109.607 -8.183 . . . . 0.0 120.988 170.298 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.456 12.9 tt0 75.03 6.73 4.27 Favored 'General case' 2 CA--C 1.692 6.405 0 C-N-CA 130.935 3.694 . . . . 0.0 113.434 165.243 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.496 1.3 p90 -73.57 -37.58 65.46 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 171.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -95.51 56.55 1.83 Allowed 'General case' 1 CA--C 1.699 6.696 0 CA-C-O 125.616 2.626 . . . . 0.0 107.962 172.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -29.75 43.56 Favored 'General case' 0 CA--C 1.619 3.603 1 N-CA-C 122.731 4.345 . . . . 0.0 122.731 170.527 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 p -88.72 -44.53 10.5 Favored 'General case' 0 CA--C 1.618 3.581 1 CA-C-N 101.423 -7.171 . . . . 0.0 109.524 170.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.59 80.66 0.05 OUTLIER Glycine 1 CA--C 1.638 7.738 1 CA-C-O 113.098 -4.168 . . . . 0.0 118.159 172.203 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -74.64 79.03 2.64 Favored 'Trans proline' 0 C--N 1.397 3.085 2 CA-C-O 131.23 4.596 . . . . 0.0 114.592 -166.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.25 4.1 mp -139.08 -48.62 0.49 Allowed 'General case' 2 N--CA 1.604 7.247 1 O-C-N 112.415 -6.428 . . . . 0.0 105.446 -164.18 . . . . . . . . 4 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.479 20.4 p -135.8 147.94 63.22 Favored Pre-proline 1 N--CA 1.587 6.419 0 CA-C-O 115.637 -2.125 . . . . 0.0 109.073 -175.569 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.372 79.1 Cg_endo -69.2 104.48 1.24 Allowed 'Trans proline' 2 N--CA 1.66 11.316 0 C-N-CA 123.323 2.682 . . . . 0.0 113.92 166.973 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.311 . . 54.47 50.82 15.28 Favored 'General case' 2 CA--C 1.665 5.403 0 CA-C-O 116.51 -1.709 . . . . 0.0 112.491 167.484 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.302 41.1 t -108.25 -10.56 15.36 Favored 'General case' 0 C--O 1.279 2.611 0 O-C-N 116.777 -3.702 . . . . 0.0 116.006 -168.705 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.451 1.2 tmt? -65.94 -49.58 67.42 Favored 'General case' 0 C--N 1.398 2.688 0 CA-C-O 115.279 -2.296 . . . . 0.0 114.685 170.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -56.15 -28.16 56.97 Favored 'General case' 1 N--CA 1.624 8.258 0 N-CA-C 120.976 3.695 . . . . 0.0 120.976 172.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 36' ' ' GLN . . . -59.79 -46.75 88.25 Favored 'General case' 1 N--CA 1.578 5.955 0 CA-C-O 114.853 -2.499 . . . . 0.0 116.847 165.802 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 m -48.15 -42.69 30.16 Favored 'General case' 0 CA--C 1.593 2.608 1 O-C-N 131.292 5.37 . . . . 0.0 113.31 164.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.575 0.9 OUTLIER -60.21 -32.08 70.77 Favored 'General case' 1 N--CA 1.554 4.77 0 C-N-CA 129.184 2.994 . . . . 0.0 113.866 165.714 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 61.5 mt-30 -59.5 -44.73 98.33 Favored Pre-proline 1 N--CA 1.557 4.882 0 O-C-N 117.295 -3.378 . . . . 0.0 105.396 170.429 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -73.28 -44.27 0.58 Allowed 'Trans proline' 0 N--CA 1.517 2.877 1 CA-C-N 132.298 5.428 . . . . 0.0 118.6 158.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.385 35.9 tt0 . . . . . 1 CA--C 1.631 4.074 0 CA-C-N 124.65 3.386 . . . . 0.0 115.339 -176.535 . . . . . . . . 2 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.271 18.7 p-90 . . . . . 0 N--CA 1.525 3.293 0 CA-C-O 125.293 2.473 . . . . 0.0 111.307 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.16 -27.23 69.23 Favored 'General case' 1 C--N 1.475 6.063 1 O-C-N 115.369 -4.582 . . . . 0.0 112.891 172.768 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.273 6.2 tp -71.79 -21.66 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 115.972 1.842 . . . . 0.0 115.972 162.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 3.7 t -69.03 -67.94 0.44 Allowed 'General case' 0 CA--C 1.588 2.413 0 O-C-N 126.015 2.072 . . . . 0.0 105.806 173.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.274 2.8 pt-20 -55.06 -53.0 61.44 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 118.518 -2.614 . . . . 0.0 115.935 -170.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 10' ' ' ARG 0.378 5.5 tp10 -73.48 -66.28 0.55 Allowed Pre-proline 0 C--N 1.427 3.938 0 O-C-N 116.305 -3.997 . . . . 0.0 117.625 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -65.93 -58.97 0.15 Allowed 'Trans proline' 0 C--O 1.246 0.923 0 CA-C-N 127.643 3.765 . . . . 0.0 114.868 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.396 97.6 m -68.41 -49.09 62.56 Favored 'General case' 0 C--N 1.415 3.428 2 CA-C-O 130.978 5.18 . . . . 0.0 119.985 -169.721 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 4' ' ' CYS 0.384 0.1 OUTLIER -62.86 -38.26 90.1 Favored 'General case' 0 C--O 1.284 2.902 0 CA-C-N 109.843 -3.344 . . . . 0.0 115.984 174.461 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 6' ' ' GLU . 45.8 ttt-85 -60.82 -42.34 97.5 Favored 'General case' 0 N--CA 1.53 3.555 1 CA-C-O 110.195 -4.717 . . . . 0.0 103.918 166.66 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -68.65 -30.09 68.72 Favored 'General case' 0 CA--C 1.617 3.54 1 CA-C-N 126.233 4.106 . . . . 0.0 117.304 166.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.386 3.0 ptp180 -57.87 -28.58 64.3 Favored 'General case' 0 C--N 1.371 1.54 1 O-C-N 115.844 -4.285 . . . . 0.0 114.39 165.776 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.472 ' O ' ' HD2' ' A' ' 17' ' ' PRO . 59.2 m -62.45 -34.11 76.15 Favored 'General case' 2 CA--C 1.705 6.925 0 CA-C-O 115.716 -2.087 . . . . 0.0 106.375 171.504 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.359 1.4 mpt_? -55.44 -32.92 63.15 Favored 'General case' 1 N--CA 1.544 4.239 0 CA-C-N 120.964 1.711 . . . . 0.0 112.08 164.805 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.33 23.9 m170 -58.64 -30.53 67.38 Favored 'General case' 0 CA--C 1.627 3.933 1 CA-C-O 109.753 -4.927 . . . . 0.0 116.565 160.999 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.291 8.8 tt -70.57 -31.11 2.03 Favored Pre-proline 0 N--CA 1.517 2.915 1 O-C-N 129.441 4.213 . . . . 0.0 106.196 -173.062 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.472 ' HD2' ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -60.81 -31.9 92.25 Favored 'Trans proline' 1 N--CA 1.558 5.318 0 O-C-N 113.893 -3.793 . . . . 0.0 111.341 168.064 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 15' ' ' HIS . 3.6 pp -81.54 -48.65 11.54 Favored 'General case' 0 CA--C 1.623 3.777 1 O-C-N 111.391 -7.068 . . . . 0.0 115.017 171.128 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.754 14.5 tt0 76.77 2.96 3.41 Favored 'General case' 0 C--O 1.271 2.198 1 N-CA-C 123.836 4.754 . . . . 0.0 123.836 175.406 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.268 2.2 p90 -82.19 -28.88 31.77 Favored 'General case' 0 C--N 1.41 3.238 1 O-C-N 115.864 -4.272 . . . . 0.0 114.346 177.445 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.305 46.2 t -94.94 58.23 2.19 Favored 'General case' 1 CA--C 1.665 5.366 1 CA-C-O 130.504 4.954 . . . . 0.0 111.133 165.86 . . . . . . . . 4 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -18.76 28.74 Favored 'General case' 1 C--O 1.352 6.462 3 N-CA-C 126.027 5.566 . . . . 0.0 126.027 173.361 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -90.43 -51.11 5.58 Favored 'General case' 0 CA--C 1.606 3.109 1 CA-C-N 105.004 -5.544 . . . . 0.0 103.855 171.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.24 72.38 0.57 Allowed Glycine 2 C--N 1.445 6.636 1 CA-C-O 108.809 -6.55 . . . . 0.0 118.234 175.68 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -69.77 81.16 0.84 Allowed 'Trans proline' 1 N--CA 1.633 9.681 1 CA-C-N 128.447 6.124 . . . . 0.0 108.444 -164.632 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.457 6.2 mp -146.53 -40.15 0.21 Allowed 'General case' 0 C--N 1.256 -3.46 0 CA-C-O 124.355 2.026 . . . . 0.0 111.057 -168.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . 0.312 16.3 p -140.64 145.88 42.24 Favored Pre-proline 0 N--CA 1.507 2.379 0 O-C-N 116.786 -3.696 . . . . 0.0 110.8 174.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -67.81 108.57 1.7 Allowed 'Trans proline' 1 C--N 1.421 4.362 0 CA-C-N 124.227 2.545 . . . . 0.0 111.885 175.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 53.16 49.65 19.49 Favored 'General case' 1 CA--C 1.641 4.466 1 O-C-N 115.305 -4.622 . . . . 0.0 113.546 166.304 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 4' ' ' CYS 0.392 14.1 t -115.26 3.99 14.38 Favored 'General case' 1 N--CA 1.593 6.707 1 O-C-N 113.988 -5.445 . . . . 0.0 113.441 -169.101 . . . . . . . . 5 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.364 1.4 tmt? -73.3 -44.39 59.21 Favored 'General case' 0 C--N 1.398 2.704 1 O-C-N 131.769 5.668 . . . . 0.0 111.997 170.733 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -60.43 -25.27 65.83 Favored 'General case' 1 C--N 1.475 6.039 0 N-CA-C 121.269 3.803 . . . . 0.0 121.269 174.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 36' ' ' GLN . . . -69.09 -31.93 71.01 Favored 'General case' 0 C--N 1.398 2.691 1 N-CA-C 124.216 4.895 . . . . 0.0 124.216 171.523 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.7 m -60.3 -36.93 79.03 Favored 'General case' 1 CA--C 1.726 7.72 1 CA-C-O 109.676 -4.964 . . . . 0.0 104.577 166.192 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.396 1.2 mp -69.39 -28.94 66.61 Favored 'General case' 0 C--N 1.367 1.354 0 CA-C-N 125.419 3.736 . . . . 0.0 109.966 170.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 51.1 mt-30 -52.16 -53.76 48.71 Favored Pre-proline 1 CA--C 1.639 4.399 0 CA-C-N 123.591 2.905 . . . . 0.0 108.794 164.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.66 -53.02 1.1 Allowed 'Trans proline' 1 N--CA 1.56 5.424 1 CA-C-N 129.621 4.472 . . . . 0.0 115.516 161.779 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.279 50.7 tt0 . . . . . 1 C--O 1.318 4.688 0 CA-C-O 112.083 -3.818 . . . . 0.0 120.726 -175.703 . . . . . . . . 2 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 18.3 p-90 . . . . . 1 CA--C 1.676 5.815 0 CA-C-O 115.425 -2.226 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.12 -33.52 75.96 Favored 'General case' 0 CA--C 1.594 2.671 0 O-C-N 125.041 1.463 . . . . 0.0 111.503 168.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 tp -71.4 -16.74 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.344 0 CA-C-O 125.263 2.459 . . . . 0.0 116.066 166.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.444 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.429 1.8 t -63.71 -75.84 0.08 Allowed 'General case' 0 CA--C 1.457 -2.632 0 O-C-N 118.946 -2.346 . . . . 0.0 113.375 165.157 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.466 2.1 pt-20 -47.53 -61.0 2.13 Favored 'General case' 0 C--N 1.258 -3.392 0 CA-C-O 116.537 -1.697 . . . . 0.0 114.918 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 10' ' ' ARG 0.346 2.3 tp10 -75.94 -64.51 0.53 Allowed Pre-proline 2 N--CA 1.56 5.074 1 CA-C-O 110.83 -4.414 . . . . 0.0 116.937 -175.593 . . . . . . . . 5 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.33 6.3 Cg_endo -56.17 -67.28 0.08 OUTLIER 'Trans proline' 0 C--N 1.291 -2.48 1 CA-C-N 129.752 4.518 . . . . 0.0 118.941 169.661 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.357 90.5 m -70.6 -45.62 64.96 Favored 'General case' 0 N--CA 1.505 2.277 1 N-CA-C 123.874 4.768 . . . . 0.0 123.874 -171.985 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -28.77 65.79 Favored 'General case' 1 CA--C 1.647 4.71 0 CA-C-N 110.908 -2.86 . . . . 0.0 114.894 173.548 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' GLU . 29.1 ttt-85 -63.75 -44.3 93.89 Favored 'General case' 1 C--N 1.436 4.331 0 CA-C-O 114.52 -2.657 . . . . 0.0 107.598 162.083 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -62.63 -37.03 84.72 Favored 'General case' 0 N--CA 1.502 2.141 0 CA-C-N 125.846 3.93 . . . . 0.0 116.677 165.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.424 HH12 HD13 ' A' ' 26' ' ' LEU 0.427 3.8 ptp180 -57.9 -32.43 67.73 Favored 'General case' 1 N--CA 1.576 5.867 0 C-N-CA 117.106 -1.838 . . . . 0.0 110.217 169.731 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.477 8.6 m -49.37 -33.77 14.42 Favored 'General case' 2 N--CA 1.634 8.734 1 N-CA-C 123.679 4.696 . . . . 0.0 123.679 155.332 . . . . . . . . 4 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -66.42 -20.61 66.11 Favored 'General case' 1 N--CA 1.556 4.856 0 O-C-N 126.413 2.321 . . . . 0.0 114.288 165.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.359 55.8 m170 -72.35 -35.57 68.58 Favored 'General case' 1 CA--C 1.659 5.166 1 CA-C-O 111.178 -4.249 . . . . 0.0 106.619 169.493 . . . . . . . . 5 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.366 5.5 tt -54.23 -37.15 50.17 Favored Pre-proline 0 C--N 1.401 2.815 0 N-CA-C 118.871 2.915 . . . . 0.0 118.871 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.301 92.7 Cg_exo -51.56 -31.69 40.91 Favored 'Trans proline' 1 CA--C 1.617 4.651 0 O-C-N 114.917 -3.254 . . . . 0.0 117.2 159.077 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 15' ' ' HIS 0.496 3.7 pp -82.98 -57.09 3.44 Favored 'General case' 0 CA--C 1.607 3.168 0 CA-C-N 118.153 0.433 . . . . 0.0 110.707 171.835 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.424 19.1 tt0 68.96 23.05 6.79 Favored 'General case' 0 CA--C 1.562 1.426 0 O-C-N 128.07 3.356 . . . . 0.0 119.307 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.276 16.6 p90 -91.07 -35.63 14.49 Favored 'General case' 1 N--CA 1.574 5.742 0 O-C-N 120.499 -1.376 . . . . 0.0 111.754 173.009 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.2 t -82.13 52.82 2.08 Favored 'General case' 0 C--O 1.299 3.701 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 161.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.339 0.0 OUTLIER -79.28 -35.15 41.77 Favored 'General case' 2 N--CA 1.578 5.96 0 N-CA-C 121.176 3.769 . . . . 0.0 121.176 179.649 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.3 p -74.76 -51.99 12.67 Favored 'General case' 0 C--N 1.294 -1.819 2 CA-C-N 102.26 -6.791 . . . . 0.0 105.045 169.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.38 71.96 0.7 Allowed Glycine 1 C--N 1.561 13.044 1 CA-C-O 109.717 -6.046 . . . . 0.0 112.83 173.756 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.83 74.32 0.66 Allowed 'Trans proline' 2 N--CA 1.615 8.649 1 CA-C-N 133.853 8.827 . . . . 0.0 114.907 -173.433 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.63 ' CB ' ' CA ' ' A' ' 26' ' ' LEU 0.354 6.0 mp -146.15 -37.89 0.24 Allowed 'General case' 0 C--N 1.425 3.856 0 CA-C-N 120.934 1.697 . . . . 0.0 113.685 -170.292 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 15.6 p -139.97 146.92 48.83 Favored Pre-proline 1 C--O 1.309 4.213 0 C-N-CA 114.49 -2.884 . . . . 0.0 111.226 169.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.472 ' O ' ' HB3' ' A' ' 29' ' ' ALA 0.378 10.3 Cg_endo -73.58 100.39 1.25 Allowed 'Trans proline' 3 CA--C 1.726 10.108 0 CA-C-N 122.938 2.085 . . . . 0.0 112.659 -172.867 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.662 ' C ' ' CA ' ' A' ' 30' ' ' CYS . . . 67.64 30.81 6.37 Favored 'General case' 0 N--CA 1.529 3.513 0 C-N-CA 117.237 -1.785 . . . . 0.0 114.645 172.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 1.515 ' N ' ' CA ' ' A' ' 30' ' ' CYS 0.29 18.1 t -101.08 6.76 43.44 Favored 'General case' 1 N--CA 1.696 11.862 0 CA-C-N 123.999 3.09 . . . . 0.0 115.617 -167.154 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.367 1.5 tmt? -81.43 -41.79 21.33 Favored 'General case' 1 CA--C 1.661 5.216 1 CA-C-O 102.778 -8.248 . . . . 0.0 105.851 176.429 . . . . . . . . 4 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -64.05 -36.92 85.57 Favored 'General case' 1 CA--C 1.654 4.973 1 O-C-N 131.021 5.201 . . . . 0.0 110.498 179.34 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' GLN . . . -55.69 -41.63 74.03 Favored 'General case' 0 C--N 1.398 2.675 0 C-N-CA 129.103 2.961 . . . . 0.0 117.114 -177.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -55.76 -36.43 67.32 Favored 'General case' 1 CA--C 1.673 5.681 1 CA-C-O 110.816 -4.421 . . . . 0.0 104.792 168.364 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.516 3.5 mp -70.7 -33.25 70.68 Favored 'General case' 0 CA--C 1.602 2.945 0 O-C-N 126.753 2.533 . . . . 0.0 111.637 172.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 33' ' ' ALA 0.354 40.2 mt-30 -39.17 -58.03 1.98 Allowed Pre-proline 0 CA--C 1.61 3.27 0 C-N-CA 117.894 -1.522 . . . . 0.0 114.019 158.418 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -72.62 -44.8 0.64 Allowed 'Trans proline' 1 CA--C 1.63 5.317 0 CA-C-N 126.329 3.296 . . . . 0.0 114.68 165.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.426 48.5 tt0 . . . . . 1 CA--C 1.667 5.445 1 CA-C-O 108.456 -5.545 . . . . 0.0 114.652 -178.108 . . . . . . . . 3 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 17.0 p-90 . . . . . 0 CA--C 1.608 3.197 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.3 mp -54.22 -41.1 68.3 Favored 'General case' 1 N--CA 1.544 4.242 0 O-C-N 124.974 1.422 . . . . 0.0 112.056 165.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.6 tp -55.31 -29.49 23.53 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.185 1 CA-C-O 129.498 4.475 . . . . 0.0 112.638 165.229 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.4 t -73.41 -61.54 1.79 Allowed 'General case' 0 C--N 1.41 3.211 1 CA-C-O 111.666 -4.016 . . . . 0.0 116.532 177.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.49 ' HA ' ' HB2' ' A' ' 9' ' ' CYS 0.389 4.6 pt-20 -50.58 -52.47 38.85 Favored 'General case' 1 C--N 1.432 4.192 1 O-C-N 129.328 4.142 . . . . 0.0 118.76 175.278 . . . . . . . . 5 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.317 1.0 OUTLIER -80.7 -58.59 0.53 Allowed Pre-proline 0 C--N 1.401 2.837 0 O-C-N 118.113 -2.867 . . . . 0.0 112.454 -169.164 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -64.62 -61.18 0.11 Allowed 'Trans proline' 1 C--N 1.482 7.591 1 O-C-N 112.349 -4.606 . . . . 0.0 117.84 171.482 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.279 87.2 m -78.47 -46.45 19.67 Favored 'General case' 1 N--CA 1.589 6.519 0 C-N-CA 126.776 2.031 . . . . 0.0 115.617 -164.705 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 5' ' ' GLU . 0.5 OUTLIER -66.58 -37.09 84.2 Favored 'General case' 0 C--O 1.279 2.618 1 O-C-N 130.62 4.95 . . . . 0.0 108.069 175.524 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.487 ' O ' ' HB ' ' A' ' 13' ' ' THR . 22.9 ttt-85 -57.59 -41.9 82.12 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-O 117.991 -1.005 . . . . 0.0 112.664 164.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -66.02 -35.34 80.3 Favored 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 167.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.584 HH12 HD13 ' A' ' 26' ' ' LEU 0.644 1.8 ptp180 -53.76 -41.87 67.61 Favored 'General case' 0 CA--C 1.578 2.056 0 CA-C-O 112.52 -3.61 . . . . 0.0 108.049 162.427 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' ' 10' ' ' ARG 0.406 23.3 m -49.06 -29.05 4.6 Favored 'General case' 2 N--CA 1.617 7.919 0 N-CA-C 120.904 3.668 . . . . 0.0 120.904 160.597 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.31 0.3 OUTLIER -65.83 -34.7 78.76 Favored 'General case' 0 N--CA 1.531 3.601 1 O-C-N 132.114 5.884 . . . . 0.0 110.758 161.681 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.434 ' C ' ' CA ' ' A' ' 16' ' ' LEU 0.307 51.0 m170 -65.77 -35.73 81.54 Favored 'General case' 0 N--CA 1.514 2.738 0 O-C-N 118.14 -2.85 . . . . 0.0 106.279 174.365 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.532 ' N ' ' CA ' ' A' ' 16' ' ' LEU 0.266 2.2 tt -52.04 -34.35 15.03 Favored Pre-proline 2 N--CA 1.697 11.879 0 N-CA-C 119.328 3.084 . . . . 0.0 119.328 178.514 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.462 51.4 Cg_exo -50.69 -29.46 25.76 Favored 'Trans proline' 0 C--N 1.397 3.103 1 N-CA-C 123.46 4.369 . . . . 0.0 123.46 153.038 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.454 3.7 pp -88.4 -52.08 5.38 Favored 'General case' 2 N--CA 1.544 4.265 0 O-C-N 127.983 3.302 . . . . 0.0 112.546 164.132 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 65.03 30.54 11.69 Favored 'General case' 1 CA--C 1.649 4.769 1 C-N-CA 133.111 4.564 . . . . 0.0 111.503 176.228 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.364 42.3 p90 -90.2 -40.56 12.12 Favored 'General case' 0 C--O 1.275 2.409 0 O-C-N 118.412 -2.68 . . . . 0.0 110.574 169.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.4 t -77.03 42.28 0.31 Allowed 'General case' 1 CA--C 1.659 5.138 0 O-C-N 127.79 3.181 . . . . 0.0 118.654 165.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.36 0.0 OUTLIER -78.99 -38.2 37.37 Favored 'General case' 0 C--O 1.293 3.383 0 CA-C-O 115.917 -1.992 . . . . 0.0 113.398 -170.021 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -72.42 -35.46 68.36 Favored 'General case' 0 CA--C 1.607 3.157 1 CA-C-O 108.543 -5.503 . . . . 0.0 111.663 165.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 44.82 80.72 0.04 OUTLIER Glycine 0 C--N 1.393 3.732 1 CA-C-O 109.182 -6.343 . . . . 0.0 112.556 172.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.318 4.2 Cg_exo -63.65 72.91 0.16 Allowed 'Trans proline' 0 C--N 1.389 2.68 1 CA-C-N 131.288 7.544 . . . . 0.0 119.011 -177.953 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.584 HD13 HH12 ' A' ' 12' ' ' ARG . 3.0 mp -143.29 -45.49 0.29 Allowed 'General case' 1 N--CA 1.586 6.368 1 CA-C-O 109.568 -5.015 . . . . 0.0 110.996 -168.468 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.324 26.5 p -132.01 149.24 72.74 Favored Pre-proline 0 C--O 1.203 -1.384 0 CA-C-N 123.274 2.761 . . . . 0.0 107.052 176.672 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.332 6.7 Cg_endo -76.74 87.78 1.44 Allowed 'Trans proline' 2 CA--C 1.655 6.529 0 O-C-N 113.583 -3.956 . . . . 0.0 109.284 178.363 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 78.47 21.89 0.76 Allowed 'General case' 0 N--CA 1.531 3.594 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 166.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.477 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.251 10.7 t -87.98 3.83 47.25 Favored 'General case' 1 N--CA 1.581 6.088 2 CA-C-O 128.812 4.149 . . . . 0.0 122.146 -167.7 . . . . . . . . 5 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -80.2 -46.19 16.74 Favored 'General case' 0 CA--C 1.602 2.971 1 CA-C-O 106.127 -6.654 . . . . 0.0 106.883 174.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -53.76 -44.0 69.64 Favored 'General case' 2 CA--C 1.65 4.801 1 CA-C-N 127.887 4.858 . . . . 0.0 112.254 178.522 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.2 54.53 Favored 'General case' 1 N--CA 1.551 4.613 1 CA-C-O 110.286 -4.673 . . . . 0.0 115.004 -175.363 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -51.77 -43.22 62.92 Favored 'General case' 0 N--CA 1.429 -1.515 1 O-C-N 129.825 4.453 . . . . 0.0 113.466 163.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.731 4.6 mp -59.27 -30.21 68.13 Favored 'General case' 1 N--CA 1.633 8.678 0 C-N-CA 127.414 2.286 . . . . 0.0 113.855 164.144 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -55.24 -45.73 99.8 Favored Pre-proline 2 CA--C 1.704 6.892 1 CA-C-O 110.419 -4.61 . . . . 0.0 109.75 167.263 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -74.62 -48.08 0.2 Allowed 'Trans proline' 1 CA--C 1.628 5.189 0 CA-C-N 126.025 3.187 . . . . 0.0 113.425 163.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.465 46.4 tt0 . . . . . 2 C--N 1.486 6.536 1 CA-C-O 110.296 -4.669 . . . . 0.0 107.559 -177.021 . . . . . . . . 3 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 . . . . . 1 N--CA 1.554 4.735 0 N-CA-C 121.17 3.767 . . . . 0.0 121.17 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -51.05 -35.09 32.77 Favored 'General case' 2 CA--C 1.737 8.154 1 O-C-N 114.643 -5.035 . . . . 0.0 112.289 166.709 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.5 tp -53.46 -29.83 17.19 Favored 'Isoleucine or valine' 1 CA--C 1.662 5.255 0 N-CA-C 117.011 2.226 . . . . 0.0 117.011 156.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.9 t -75.37 -69.27 0.49 Allowed 'General case' 0 C--O 1.285 2.968 0 CA-C-N 110.73 -2.941 . . . . 0.0 104.401 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.563 ' HA ' ' HB2' ' A' ' 9' ' ' CYS . 3.3 pt-20 -47.98 -54.03 14.22 Favored 'General case' 2 C--N 1.459 5.334 0 CA-C-O 114.176 -2.821 . . . . 0.0 112.211 -176.882 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.506 0.9 OUTLIER -75.22 -63.79 0.66 Allowed Pre-proline 2 C--N 1.448 4.89 0 CA-C-N 123.838 3.017 . . . . 0.0 109.819 -170.686 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -68.72 -66.16 0.04 OUTLIER 'Trans proline' 2 N--CA 1.551 4.858 1 O-C-N 113.333 -4.088 . . . . 0.0 113.968 177.972 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.1 m -76.98 -43.47 34.82 Favored 'General case' 0 N--CA 1.536 3.871 1 CA-C-O 110.924 -4.37 . . . . 0.0 119.371 -166.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.563 ' HB2' ' HA ' ' A' ' 5' ' ' GLU 0.312 1.3 m -48.07 -50.95 26.37 Favored 'General case' 0 N--CA 1.525 3.301 1 O-C-N 130.212 4.695 . . . . 0.0 111.487 162.528 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.541 ' O ' ' HB ' ' A' ' 13' ' ' THR . 26.7 ttt-85 -55.87 -36.28 67.41 Favored 'General case' 2 CA--C 1.644 4.591 0 O-C-N 118.298 -2.751 . . . . 0.0 111.949 167.753 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.502 ' O ' ' HB2' ' A' ' 14' ' ' ARG 0.279 42.1 m-80 -70.41 -36.87 74.29 Favored 'General case' 0 N--CA 1.502 2.137 0 CA-C-O 112.835 -3.46 . . . . 0.0 112.406 171.024 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.68 HH12 HD13 ' A' ' 26' ' ' LEU 0.501 3.2 ptp180 -58.39 -30.68 67.01 Favored 'General case' 0 C--N 1.384 2.07 0 O-C-N 126.472 2.358 . . . . 0.0 110.425 166.515 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 1.533 ' CA ' ' C ' ' A' ' 13' ' ' THR . 54.7 m -60.72 -27.29 67.8 Favored 'General case' 2 CA--C 1.753 8.757 1 O-C-N 115.737 -4.352 . . . . 0.0 115.279 166.536 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -68.93 -32.39 71.96 Favored 'General case' 1 CA--C 1.636 4.281 0 CA-C-O 114.207 -2.806 . . . . 0.0 112.586 160.213 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 23.2 m170 -60.2 -25.61 65.73 Favored 'General case' 0 CA--C 1.585 2.302 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 164.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.4 ' N ' ' CA ' ' A' ' 16' ' ' LEU . 1.3 tt -56.23 -29.47 5.9 Favored Pre-proline 2 N--CA 1.85 19.534 1 CA-C-O 111.124 -4.274 . . . . 0.0 114.593 176.415 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.301 19.0 Cg_exo -59.91 -32.89 95.87 Favored 'Trans proline' 1 N--CA 1.537 4.051 2 C-N-CA 129.586 6.857 . . . . 0.0 117.179 159.086 . . . . . . . . 4 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -87.12 -46.94 9.31 Favored 'General case' 0 N--CA 1.527 3.391 1 CA-C-O 110.507 -4.568 . . . . 0.0 112.374 162.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.429 7.3 tt0 69.35 7.52 6.28 Favored 'General case' 0 C--N 1.372 1.546 1 O-C-N 129.59 4.306 . . . . 0.0 115.516 173.976 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -78.64 -26.06 45.1 Favored 'General case' 0 C--N 1.406 3.028 0 N-CA-C 119.513 3.153 . . . . 0.0 119.513 170.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.6 t -91.69 47.78 1.39 Allowed 'General case' 0 CA--C 1.627 3.908 1 O-C-N 130.452 4.845 . . . . 0.0 112.186 168.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -92.9 -16.76 24.83 Favored 'General case' 0 C--O 1.177 -2.727 0 CA-C-N 125.657 3.844 . . . . 0.0 115.912 -169.545 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.298 2.7 p -86.11 -36.39 19.62 Favored 'General case' 0 CA--C 1.623 3.768 0 C-N-CA 129.762 3.225 . . . . 0.0 107.892 159.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 33.53 76.78 0.04 OUTLIER Glycine 1 CA--C 1.591 4.823 2 CA-C-O 110.454 -5.637 . . . . 0.0 123.798 -175.543 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -58.82 79.54 0.05 OUTLIER 'Trans proline' 0 CA--C 1.584 2.975 1 CA-C-N 125.698 4.749 . . . . 0.0 116.625 -172.645 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.68 HD13 HH12 ' A' ' 12' ' ' ARG 0.379 4.6 mp -146.14 -40.82 0.21 Allowed 'General case' 1 CA--C 1.629 4.016 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -169.757 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.392 14.3 p -137.31 151.42 71.45 Favored Pre-proline 0 C--N 1.401 2.81 0 N-CA-C 105.278 -2.119 . . . . 0.0 105.278 178.227 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -78.11 90.31 1.27 Allowed 'Trans proline' 2 CA--C 1.413 -5.561 1 C-N-CA 126.331 4.687 . . . . 0.0 111.251 167.081 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.279 . . 65.63 32.27 9.29 Favored 'General case' 0 CA--C 1.604 3.054 0 O-C-N 117.254 -3.404 . . . . 0.0 114.761 165.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.488 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.431 10.9 t -80.67 -6.35 58.25 Favored 'General case' 1 CA--C 1.673 5.693 0 C-N-CA 127.527 2.331 . . . . 0.0 116.481 -175.066 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.95 -58.44 3.32 Favored 'General case' 0 N--CA 1.506 2.34 0 CA-C-O 116.421 -1.752 . . . . 0.0 110.954 169.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -41.98 -41.86 2.64 Favored 'General case' 0 N--CA 1.53 3.548 2 O-C-N 114.003 -5.435 . . . . 0.0 121.443 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HA ' ' HG3' ' A' ' 36' ' ' GLN . . . -58.46 -28.59 65.47 Favored 'General case' 0 N--CA 1.505 2.282 1 C-N-CA 132.682 4.393 . . . . 0.0 120.721 178.012 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 5' ' ' GLU 0.289 6.0 m -62.12 -41.95 98.75 Favored 'General case' 0 CA--C 1.585 2.324 0 C-N-CA 129.203 3.001 . . . . 0.0 114.019 159.173 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.661 5.0 mp -58.1 -21.8 47.83 Favored 'General case' 2 CA--C 1.712 7.19 0 O-C-N 127.295 2.872 . . . . 0.0 113.642 165.192 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.424 ' HG3' ' HA ' ' A' ' 33' ' ' ALA 0.448 21.7 mt-30 -59.75 -50.26 87.65 Favored Pre-proline 2 N--CA 1.593 6.706 1 CA-C-O 111.324 -4.179 . . . . 0.0 104.748 169.111 . . . . . . . . 5 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.374 2.7 Cg_exo -67.61 -55.71 0.26 Allowed 'Trans proline' 1 C--N 1.426 4.627 1 C-N-CA 129.082 6.521 . . . . 0.0 111.785 164.996 . . . . . . . . 4 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.398 42.6 tt0 . . . . . 1 C--N 1.471 5.888 1 CA-C-O 111.47 -4.109 . . . . 0.0 113.26 -172.189 . . . . . . . . 3 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.581 ' HE3' ' HG ' ' A' ' 30' ' ' CYS . 8.9 p-90 . . . . . 2 CA--C 1.692 6.421 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.25 5.6 mp -42.74 -37.81 1.88 Allowed 'General case' 0 C--N 1.418 3.576 0 C-N-CA 125.222 1.409 . . . . 0.0 112.108 152.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.329 10.6 tp -74.33 -31.52 28.82 Favored 'Isoleucine or valine' 1 CA--C 1.636 4.287 1 CA-C-O 109.163 -5.208 . . . . 0.0 110.674 177.504 . . . . . . . . 4 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.2 t -72.64 -51.88 17.68 Favored 'General case' 0 CA--C 1.629 4.0 1 O-C-N 132.881 6.363 . . . . 0.0 111.531 176.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.375 4.8 pt-20 -56.15 -59.53 4.8 Favored 'General case' 0 C--N 1.412 3.289 0 CA-C-N 111.214 -2.721 . . . . 0.0 117.829 -177.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.388 0.6 OUTLIER -72.47 -57.14 3.61 Favored Pre-proline 0 C--O 1.175 -2.864 1 CA-C-O 111.144 -4.265 . . . . 0.0 110.939 -178.266 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -72.92 -64.25 0.03 OUTLIER 'Trans proline' 1 N--CA 1.65 10.704 1 CA-C-N 132.09 5.354 . . . . 0.0 120.191 174.389 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.6 m -72.54 -43.48 63.44 Favored 'General case' 0 N--CA 1.519 2.989 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 -170.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.56 -45.48 86.89 Favored 'General case' 0 CA--C 1.482 -1.645 0 CA-C-O 116.912 -1.518 . . . . 0.0 113.605 169.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.9 ttt-85 -52.97 -37.97 61.71 Favored 'General case' 2 CA--C 1.674 5.742 0 N-CA-C 104.338 -2.467 . . . . 0.0 104.338 167.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.518 55.0 m-80 -71.38 -34.28 70.28 Favored 'General case' 1 N--CA 1.55 4.541 0 O-C-N 118.964 -2.335 . . . . 0.0 112.952 170.042 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.525 HH12 HD13 ' A' ' 26' ' ' LEU 0.592 0.5 OUTLIER -57.47 -36.72 71.81 Favored 'General case' 0 N--CA 1.519 3.0 0 CA-C-O 124.502 2.096 . . . . 0.0 111.584 163.874 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.549 33.2 m -52.55 -30.54 31.21 Favored 'General case' 2 CA--C 1.682 6.034 1 O-C-N 115.748 -4.345 . . . . 0.0 110.655 163.31 . . . . . . . . 4 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.282 0.1 OUTLIER -73.25 -30.47 63.47 Favored 'General case' 0 CA--C 1.573 1.864 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.936 165.236 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 1.396 ' CA ' ' C ' ' A' ' 15' ' ' HIS 0.393 7.1 m170 -63.34 -25.82 68.48 Favored 'General case' 1 CA--C 1.899 14.39 0 N-CA-C 104.454 -2.424 . . . . 0.0 104.454 172.737 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.9 -38.87 64.94 Favored Pre-proline 1 N--CA 1.546 4.367 0 CA-C-O 113.063 -3.351 . . . . 0.0 107.473 -168.552 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -53.84 -34.61 76.29 Favored 'Trans proline' 1 N--CA 1.583 6.787 2 N-CA-C 125.998 5.345 . . . . 0.0 125.998 159.566 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 20' ' ' PHE 0.414 2.7 pp -78.52 -60.82 2.22 Favored 'General case' 2 N--CA 1.582 6.143 0 CA-C-O 127.238 3.399 . . . . 0.0 104.708 164.774 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 75.93 14.77 2.57 Favored 'General case' 1 N--CA 1.564 5.269 0 O-C-N 117.46 -3.275 . . . . 0.0 117.206 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.401 ' CD1' HD13 ' A' ' 18' ' ' LEU 0.318 25.4 p90 -78.31 -27.52 47.22 Favored 'General case' 0 C--N 1.39 2.348 0 O-C-N 118.07 -2.894 . . . . 0.0 117.087 167.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.0 t -103.41 49.77 0.82 Allowed 'General case' 1 N--CA 1.542 4.171 0 O-C-N 120.937 -1.102 . . . . 0.0 109.732 171.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.368 0.0 OUTLIER -67.09 -16.03 64.08 Favored 'General case' 1 C--O 1.316 4.558 1 N-CA-C 127.171 5.989 . . . . 0.0 127.171 164.591 . . . . . . . . 5 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 p -99.3 -49.32 4.5 Favored 'General case' 0 CA--C 1.618 3.57 0 CA-C-N 110.632 -2.986 . . . . 0.0 115.218 163.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 41.27 86.39 0.01 OUTLIER Glycine 0 CA--C 1.573 3.677 1 O-C-N 132.242 5.964 . . . . 0.0 110.032 174.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.398 60.6 Cg_endo -49.87 68.03 0.02 OUTLIER 'Trans proline' 1 CA--C 1.695 8.571 2 C-N-CA 128.512 6.142 . . . . 0.0 122.845 170.726 . . . . . . . . 4 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD13 HH12 ' A' ' 12' ' ' ARG . 1.7 mp -134.74 -35.52 0.87 Allowed 'General case' 0 N--CA 1.524 3.239 1 C-N-CA 132.126 4.17 . . . . 0.0 121.183 -178.796 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.714 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.456 19.4 p -155.08 137.86 10.35 Favored Pre-proline 0 C--O 1.193 -1.905 1 CA-C-O 131.658 5.504 . . . . 0.0 105.629 -165.093 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.48 105.64 1.06 Allowed 'Trans proline' 1 N--CA 1.649 10.653 3 CA-C-O 133.828 5.679 . . . . 0.0 98.124 -178.615 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 38.16 44.29 0.65 Allowed 'General case' 1 N--CA 1.601 7.105 1 O-C-N 109.696 -8.127 . . . . 0.0 117.36 172.894 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.714 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.455 50.3 t -79.25 -7.4 58.24 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 111.838 -3.934 . . . . 0.0 112.037 175.586 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.522 ' C ' ' SD ' ' A' ' 31' ' ' MET . 0.0 OUTLIER -76.43 -36.65 57.87 Favored 'General case' 2 N--CA 1.664 10.236 1 CA-C-N 129.779 5.718 . . . . 0.0 116.451 169.614 . . . . . . . . 5 4 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.457 25.5 pttt -56.87 -48.78 77.34 Favored 'General case' 0 N--CA 1.52 3.062 0 O-C-N 120.338 -1.476 . . . . 0.0 111.127 176.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.269 . . -48.7 -28.12 3.36 Favored 'General case' 0 CA--C 1.589 2.448 0 CA-C-O 128.491 3.996 . . . . 0.0 121.709 172.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.319 1.0 OUTLIER -70.82 -38.82 73.28 Favored 'General case' 0 N--CA 1.521 3.118 1 O-C-N 115.646 -4.409 . . . . 0.0 115.422 170.124 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.375 3.1 mp -60.7 -27.08 67.62 Favored 'General case' 0 CA--C 1.428 -3.722 1 CA-C-O 109.608 -4.996 . . . . 0.0 106.376 166.896 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.29 29.2 mt-30 -50.33 -49.18 78.28 Favored Pre-proline 1 N--CA 1.545 4.295 1 CA-C-N 129.84 5.746 . . . . 0.0 108.715 170.716 . . . . . . . . 4 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.264 2.9 Cg_exo -70.0 -47.99 0.75 Allowed 'Trans proline' 0 CA--C 1.579 2.766 0 CA-C-N 125.476 2.992 . . . . 0.0 112.303 166.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.318 18.3 tt0 . . . . . 1 N--CA 1.54 4.044 1 O-C-N 114.846 -4.909 . . . . 0.0 100.719 -166.276 . . . . . . . . 3 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.299 1.5 p-90 . . . . . 1 N--CA 1.54 4.069 1 CA-C-O 111.006 -4.33 . . . . 0.0 114.354 . . . . . . . . . 3 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.293 ' CA ' ' C ' ' A' ' 2' ' ' LEU 0.57 8.0 mp -69.03 -23.87 64.12 Favored 'General case' 1 CA--C 2.004 18.405 0 O-C-N 128.948 3.905 . . . . 0.0 107.909 165.314 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.323 8.3 tp -76.54 -30.07 18.94 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.696 1 O-C-N 131.958 5.786 . . . . 0.0 111.689 169.765 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 t -72.19 -56.33 5.73 Favored 'General case' 1 C--N 1.434 4.267 0 O-C-N 127.851 3.219 . . . . 0.0 115.915 162.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.282 9.8 pt-20 -57.55 -70.89 0.11 Allowed 'General case' 0 N--CA 1.53 3.564 1 CA-C-O 110.384 -4.627 . . . . 0.0 110.205 -173.899 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.308 51.6 tp10 -60.41 -63.7 3.96 Favored Pre-proline 0 N--CA 1.537 3.9 1 CA-C-O 111.67 -4.014 . . . . 0.0 112.74 -163.305 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.265 8.1 Cg_endo -72.9 -55.59 0.1 OUTLIER 'Trans proline' 0 N--CA 1.424 -2.599 1 CA-C-O 108.047 -5.064 . . . . 0.0 121.163 172.839 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.253 8.4 m -71.86 -36.84 70.25 Favored 'General case' 0 CA--C 1.601 2.917 0 CA-C-N 124.025 3.102 . . . . 0.0 118.96 -171.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.455 ' SG ' ' NE ' ' A' ' 12' ' ' ARG 0.521 19.1 m -66.79 -27.67 67.76 Favored 'General case' 1 CA--C 1.642 4.495 0 CA-C-N 110.618 -2.992 . . . . 0.0 114.87 170.554 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -64.67 -46.96 80.23 Favored 'General case' 1 N--CA 1.613 7.72 0 O-C-N 118.684 -2.51 . . . . 0.0 107.821 173.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -68.93 -28.23 66.47 Favored 'General case' 0 C--N 1.363 1.174 0 O-C-N 120.902 -1.124 . . . . 0.0 112.899 172.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.455 ' NE ' ' SG ' ' A' ' 9' ' ' CYS 0.378 0.1 OUTLIER -72.76 -28.14 62.44 Favored 'General case' 1 N--CA 1.568 5.451 1 CA-C-O 106.651 -6.404 . . . . 0.0 108.68 164.951 . . . . . . . . 6 4 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.459 44.1 m -59.52 -31.17 69.13 Favored 'General case' 2 C--N 1.238 -4.256 1 CA-C-N 127.969 4.895 . . . . 0.0 115.529 159.156 . . . . . . . . 4 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 1.525 ' C ' ' CA ' ' A' ' 14' ' ' ARG 0.445 2.7 mpt_? -66.46 -32.42 73.78 Favored 'General case' 2 CA--C 1.771 9.476 1 CA-C-O 110.494 -4.574 . . . . 0.0 102.504 162.025 . . . . . . . . 5 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.519 66.6 m170 -47.89 -33.84 8.09 Favored 'General case' 0 C--N 1.37 1.477 0 CA-C-N 123.167 2.712 . . . . 0.0 117.511 162.439 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -49.0 96.45 Favored Pre-proline 0 CA--C 1.486 -1.502 0 O-C-N 117.964 -2.96 . . . . 0.0 112.233 -167.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.445 3.6 Cg_exo -46.48 -68.99 0.09 OUTLIER 'Trans proline' 2 C--N 1.442 5.468 1 O-C-N 112.4 -4.579 . . . . 0.0 115.631 165.748 . . . . . . . . 4 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 19' ' ' GLN 0.384 4.5 pp -44.93 -46.18 10.85 Favored 'General case' 2 C--N 1.516 7.821 0 C-N-CA 126.103 1.761 . . . . 0.0 111.684 174.399 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.49 ' N ' HD12 ' A' ' 18' ' ' LEU 0.34 0.1 OUTLIER 55.0 14.98 1.03 Allowed 'General case' 0 C--O 1.285 2.925 1 N-CA-C 133.115 8.191 . . . . 0.0 133.115 174.117 . . . . . . . . 5 4 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -92.25 -3.15 55.9 Favored 'General case' 2 CA--C 1.666 5.439 0 O-C-N 120.135 -1.603 . . . . 0.0 110.15 166.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.56 36.37 2.19 Favored 'General case' 0 N--CA 1.536 3.842 1 N-CA-C 122.315 4.191 . . . . 0.0 122.315 166.009 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.251 0.0 OUTLIER -62.3 -23.11 66.55 Favored 'General case' 1 C--O 1.306 4.063 1 CA-C-N 106.76 -4.746 . . . . 0.0 119.681 179.967 . . . . . . . . 5 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.454 17.7 p -91.86 -69.84 0.72 Allowed 'General case' 0 CA--C 1.438 -3.353 0 C-N-CA 129.525 3.13 . . . . 0.0 112.66 162.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.0 85.61 0.08 OUTLIER Glycine 1 C--N 1.427 5.63 0 CA-C-O 115.236 -2.98 . . . . 0.0 109.289 171.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -73.49 81.31 1.82 Allowed 'Trans proline' 1 CA--C 1.638 5.716 1 O-C-N 129.87 4.616 . . . . 0.0 117.196 179.514 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.546 ' CB ' ' CG ' ' A' ' 26' ' ' LEU . 5.1 mp -138.23 -78.22 0.36 Allowed 'General case' 1 CA--C 1.713 7.216 2 C-N-CA 133.753 4.821 . . . . 0.0 98.062 -175.304 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 22.3 p -125.47 162.34 45.05 Favored Pre-proline 0 N--CA 1.516 2.851 0 O-C-N 128.366 3.541 . . . . 0.0 120.428 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.298 7.1 Cg_endo -76.92 79.12 3.19 Favored 'Trans proline' 1 CA--C 1.648 6.2 0 C-N-CA 123.594 2.863 . . . . 0.0 116.323 -173.057 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.427 . . 48.89 43.28 21.44 Favored 'General case' 2 N--CA 1.602 7.133 0 CA-C-O 126.082 2.849 . . . . 0.0 117.118 177.846 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.58 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.338 8.6 t -74.57 -7.34 52.81 Favored 'General case' 0 C--N 1.282 -2.365 1 CA-C-N 106.446 -4.888 . . . . 0.0 113.218 171.59 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -74.36 -49.32 23.23 Favored 'General case' 0 N--CA 1.414 -2.27 1 CA-C-O 110.547 -4.549 . . . . 0.0 104.433 173.381 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -63.07 -5.2 2.83 Favored 'General case' 1 N--CA 1.551 4.6 2 CA-C-N 127.553 4.706 . . . . 0.0 118.255 175.521 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.325 . . -83.14 -39.71 20.71 Favored 'General case' 0 N--CA 1.53 3.565 1 CA-C-O 111.03 -4.319 . . . . 0.0 112.945 166.059 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.7 m -47.3 -39.17 14.07 Favored 'General case' 0 N--CA 1.529 3.506 1 CA-C-O 109.941 -4.838 . . . . 0.0 113.75 168.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.269 5.1 mp -55.91 -38.98 70.95 Favored 'General case' 0 CA--C 1.611 3.292 1 O-C-N 132.834 6.334 . . . . 0.0 121.263 168.031 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.58 -52.84 62.24 Favored Pre-proline 0 CA--C 1.6 2.875 1 CA-C-N 126.953 4.433 . . . . 0.0 109.356 -176.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -57.68 -26.08 71.16 Favored 'Trans proline' 0 C--N 1.409 3.741 1 O-C-N 111.638 -4.98 . . . . 0.0 115.177 164.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.299 3.2 pt-20 . . . . . 0 N--CA 1.493 1.706 0 CA-C-N 125.67 3.85 . . . . 0.0 109.19 167.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.284 1.1 p-90 . . . . . 0 CA--C 1.62 3.672 0 N-CA-C 118.346 2.721 . . . . 0.0 118.346 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.517 ' CA ' ' C ' ' A' ' 2' ' ' LEU . 5.9 mp -57.59 -30.0 64.93 Favored 'General case' 2 CA--C 1.766 9.285 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 148.428 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.703 ' N ' ' CA ' ' A' ' 2' ' ' LEU . 5.2 tp -78.5 -19.49 13.31 Favored 'Isoleucine or valine' 2 N--CA 1.596 6.857 0 CA-C-N 108.769 -3.832 . . . . 0.0 112.398 165.335 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.315 9.6 t -81.7 -62.48 1.63 Allowed 'General case' 1 CA--C 1.727 7.752 0 O-C-N 127.478 2.986 . . . . 0.0 107.36 169.868 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.502 7.2 pt-20 -44.23 -74.4 0.04 OUTLIER 'General case' 1 C--N 1.45 4.948 0 N-CA-C 119.374 3.101 . . . . 0.0 119.374 -177.534 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.459 51.5 tp10 -57.49 -65.34 1.84 Allowed Pre-proline 1 C--N 1.49 6.716 0 CA-C-O 115.756 -2.069 . . . . 0.0 111.779 -167.59 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -75.8 -58.18 0.05 OUTLIER 'Trans proline' 0 N--CA 1.531 3.732 1 CA-C-O 107.232 -5.403 . . . . 0.0 120.48 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.257 6.3 m -67.06 -40.08 87.01 Favored 'General case' 0 C--N 1.39 2.338 0 CA-C-N 125.176 3.625 . . . . 0.0 112.899 -172.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.531 ' SG ' ' NE ' ' A' ' 12' ' ' ARG 0.495 33.4 m -65.24 -32.37 74.01 Favored 'General case' 1 CA--C 1.666 5.423 0 C-N-CA 130.731 3.612 . . . . 0.0 113.829 175.501 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.301 34.1 ttt-85 -65.46 -59.04 4.41 Favored 'General case' 0 N--CA 1.53 3.536 0 CA-C-O 115.101 -2.38 . . . . 0.0 110.593 170.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -52.3 -37.41 55.68 Favored 'General case' 1 N--CA 1.666 10.369 0 O-C-N 126.506 2.379 . . . . 0.0 109.686 165.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.531 ' NE ' ' SG ' ' A' ' 9' ' ' CYS 0.824 1.2 ttp-105 -54.82 -40.16 69.25 Favored 'General case' 0 C--O 1.178 -2.694 0 N-CA-C 117.978 2.585 . . . . 0.0 117.978 162.524 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.358 45.1 m -63.67 -25.21 68.11 Favored 'General case' 1 N--CA 1.554 4.74 0 O-C-N 117.752 -3.092 . . . . 0.0 111.1 166.684 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -72.54 -25.01 61.21 Favored 'General case' 1 CA--C 1.685 6.141 0 O-C-N 117.118 -3.489 . . . . 0.0 108.58 164.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.3 59.2 m170 -54.26 -25.0 20.94 Favored 'General case' 1 C--N 1.428 4.001 0 O-C-N 119.497 -2.002 . . . . 0.0 114.38 161.908 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.269 0.2 OUTLIER -53.42 -56.67 22.21 Favored Pre-proline 0 N--CA 1.49 1.54 1 CA-C-O 107.788 -5.863 . . . . 0.0 112.182 -175.797 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -54.41 -56.09 2.8 Favored 'Trans proline' 1 CA--C 1.693 8.459 1 CA-C-O 110.177 -4.176 . . . . 0.0 117.763 175.423 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 19' ' ' GLN 0.578 4.5 pp -44.46 -44.69 8.68 Favored 'General case' 0 C--N 1.413 3.368 1 O-C-N 131.879 5.737 . . . . 0.0 119.645 169.643 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.453 ' N ' HD12 ' A' ' 18' ' ' LEU 0.406 0.4 OUTLIER 63.83 3.11 1.5 Allowed 'General case' 1 CA--C 1.662 5.277 1 N-CA-C 125.388 5.329 . . . . 0.0 125.388 163.383 . . . . . . . . 6 4 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.319 11.9 p90 -79.67 -14.88 58.47 Favored 'General case' 1 CA--C 1.657 5.062 0 CA-C-O 117.089 -1.434 . . . . 0.0 114.644 166.929 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.07 46.25 0.93 Allowed 'General case' 2 N--CA 1.564 5.234 0 CA-C-O 127.059 3.314 . . . . 0.0 116.015 169.154 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HD2' ' O ' ' A' ' 19' ' ' GLN 0.593 0.0 OUTLIER -56.65 -34.84 67.72 Favored 'General case' 1 N--CA 1.543 4.213 0 CA-C-N 110.36 -3.109 . . . . 0.0 116.796 172.587 . . . . . . . . 5 4 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 p -109.49 -66.49 1.06 Allowed 'General case' 0 CA--C 1.619 3.6 3 O-C-N 130.698 4.999 . . . . 0.0 98.088 -170.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.79 103.27 0.02 OUTLIER Glycine 3 CA--C 1.609 5.914 1 N-CA-C 101.832 -4.507 . . . . 0.0 101.832 166.978 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -94.55 84.44 0.13 Allowed 'Trans proline' 1 C--N 1.449 5.817 0 C-N-CA 124.025 3.15 . . . . 0.0 109.99 -178.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -137.1 -75.05 0.42 Allowed 'General case' 1 CA--C 1.645 4.613 1 N-CA-C 96.423 -5.399 . . . . 0.0 96.423 172.538 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.421 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 31.9 p -118.36 163.29 25.95 Favored Pre-proline 0 CA--C 1.462 -2.44 2 O-C-N 112.207 -6.558 . . . . 0.0 112.821 -167.795 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -82.89 76.02 4.25 Favored 'Trans proline' 2 N--CA 1.652 10.821 0 O-C-N 115.025 -3.197 . . . . 0.0 117.013 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.47 . . 60.63 39.42 17.78 Favored 'General case' 2 N--CA 1.648 9.452 1 CA-C-O 135.543 7.354 . . . . 0.0 116.442 170.845 . . . . . . . . 4 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.421 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.544 17.1 t -79.32 -3.13 44.66 Favored 'General case' 1 CA--C 1.646 4.646 1 CA-C-N 105.223 -5.444 . . . . 0.0 109.386 176.551 . . . . . . . . 5 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -53.78 18.07 Favored 'General case' 0 C--O 1.185 -2.312 0 N-CA-C 103.057 -2.942 . . . . 0.0 103.057 171.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -55.71 -25.44 40.15 Favored 'General case' 0 CA--C 1.623 3.755 1 CA-C-N 128.113 4.96 . . . . 0.0 113.35 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.518 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.364 . . -63.26 -45.6 90.75 Favored 'General case' 1 C--N 1.503 7.253 0 CA-C-O 112.026 -3.845 . . . . 0.0 116.134 169.718 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 m -49.23 -39.01 28.39 Favored 'General case' 1 N--CA 1.545 4.284 1 O-C-N 129.479 4.237 . . . . 0.0 117.111 172.292 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -56.37 -43.7 79.45 Favored 'General case' 0 CA--C 1.61 3.263 0 O-C-N 128.952 3.908 . . . . 0.0 111.727 169.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -66.7 -52.94 31.06 Favored Pre-proline 2 N--CA 1.558 4.974 2 CA-C-N 131.923 6.692 . . . . 0.0 105.765 -170.442 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.518 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.288 1.7 Cg_endo -52.28 -23.76 19.07 Favored 'Trans proline' 1 CA--C 1.64 5.811 1 C-N-CA 125.62 4.213 . . . . 0.0 110.541 167.489 . . . . . . . . 5 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.661 2.2 pt-20 . . . . . 0 N--CA 1.535 3.786 0 CA-C-O 114.447 -2.692 . . . . 0.0 106.918 172.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.468 1.5 p-90 . . . . . 0 CA--C 1.627 3.913 1 N-CA-C 122.18 4.141 . . . . 0.0 122.18 . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.467 6.1 mp -81.13 -31.03 34.37 Favored 'General case' 1 N--CA 1.598 6.973 1 CA-C-O 110.6 -4.524 . . . . 0.0 100.489 175.188 . . . . . . . . 4 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.7 tp -72.44 -24.15 21.74 Favored 'Isoleucine or valine' 1 CA--C 1.705 6.924 0 CA-C-O 126.977 3.275 . . . . 0.0 109.245 166.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.38 2.6 t -63.41 -59.69 4.35 Favored 'General case' 0 C--O 1.181 -2.542 1 O-C-N 114.494 -5.129 . . . . 0.0 120.214 164.228 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.327 2.9 pt-20 -61.87 -61.42 2.51 Favored 'General case' 1 N--CA 1.628 8.464 0 O-C-N 128.812 3.82 . . . . 0.0 120.189 -175.587 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -68.66 -58.49 6.82 Favored Pre-proline 0 CA--C 1.598 2.799 0 O-C-N 116.734 -3.729 . . . . 0.0 107.805 -173.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.387 52.6 Cg_endo -70.79 -61.32 0.05 OUTLIER 'Trans proline' 0 CA--C 1.592 3.402 2 O-C-N 111.991 -4.794 . . . . 0.0 122.005 -178.529 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 m -68.96 -42.0 77.22 Favored 'General case' 0 N--CA 1.531 3.598 0 CA-C-O 114.194 -2.812 . . . . 0.0 114.211 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.581 99.9 m -62.05 -40.23 95.06 Favored 'General case' 0 N--CA 1.526 3.354 1 O-C-N 131.621 5.575 . . . . 0.0 114.506 169.191 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -63.22 -60.57 3.23 Favored 'General case' 2 N--CA 1.573 5.695 1 CA-C-O 111.656 -4.021 . . . . 0.0 110.855 166.379 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -49.9 -33.87 18.63 Favored 'General case' 0 N--CA 1.519 2.997 1 CA-C-N 126.467 4.212 . . . . 0.0 113.557 167.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 1.481 ' CA ' ' C ' ' A' ' 12' ' ' ARG 0.312 0.2 OUTLIER -65.35 -33.24 75.5 Favored 'General case' 2 CA--C 1.799 10.548 0 O-C-N 118.139 -2.85 . . . . 0.0 106.542 169.164 . . . . . . . . 5 4 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.315 40.1 m -64.68 -27.82 69.19 Favored 'General case' 0 C--N 1.376 1.739 0 C-N-CA 112.539 -3.665 . . . . 0.0 113.553 169.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.409 2.6 mpt_? -59.71 -25.93 65.2 Favored 'General case' 1 CA--C 1.633 4.161 0 CA-C-O 126.253 2.93 . . . . 0.0 115.119 161.489 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -62.4 -24.14 67.23 Favored 'General case' 0 N--CA 1.505 2.324 1 O-C-N 115.056 -4.778 . . . . 0.0 114.44 165.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.36 0.3 OUTLIER -50.84 -47.71 85.46 Favored Pre-proline 0 CA--C 1.567 1.596 0 C-N-CA 125.123 1.369 . . . . 0.0 111.271 -176.454 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.506 10.8 Cg_endo -56.85 -50.45 11.53 Favored 'Trans proline' 2 N--CA 1.603 7.932 2 O-C-N 111.342 -5.136 . . . . 0.0 109.89 167.283 . . . . . . . . 4 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.315 4.6 pp -63.07 -44.59 95.39 Favored 'General case' 1 N--CA 1.564 5.227 1 O-C-N 109.989 -7.944 . . . . 0.0 112.484 -171.673 . . . . . . . . 4 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.31 7.64 4.37 Favored 'General case' 0 C--N 1.423 3.77 2 O-C-N 130.695 4.997 . . . . 0.0 121.878 170.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -88.03 4.17 46.13 Favored 'General case' 0 N--CA 1.523 3.186 1 CA-C-O 111.414 -4.136 . . . . 0.0 115.923 170.878 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.48 43.33 1.25 Allowed 'General case' 0 CA--C 1.602 2.955 0 CA-C-N 121.346 1.885 . . . . 0.0 111.009 164.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -34.1 68.07 Favored 'General case' 0 CA--C 1.62 3.657 0 N-CA-C 119.525 3.157 . . . . 0.0 119.525 170.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -97.28 -79.09 0.46 Allowed 'General case' 0 N--CA 1.537 3.875 1 N-CA-C 99.293 -4.336 . . . . 0.0 99.293 178.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.13 95.71 0.65 Allowed Glycine 1 N--CA 1.562 7.088 0 CA-C-O 113.832 -3.76 . . . . 0.0 119.348 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -102.4 69.7 0.03 OUTLIER 'Trans proline' 0 N--CA 1.505 2.168 1 CA-C-N 128.318 6.059 . . . . 0.0 116.636 -161.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -120.83 -72.4 0.69 Allowed 'General case' 1 CA--C 1.673 5.679 1 CA-C-N 105.363 -5.38 . . . . 0.0 105.585 174.912 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 29.9 p -126.42 140.16 36.52 Favored Pre-proline 2 CA--C 1.698 6.64 1 CA-C-O 108.013 -5.756 . . . . 0.0 117.449 -176.816 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.277 24.2 Cg_endo -54.24 80.53 0.03 OUTLIER 'Trans proline' 0 CA--C 1.581 2.834 1 N-CA-C 125.738 5.245 . . . . 0.0 125.738 -177.263 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 1.464 ' CA ' ' C ' ' A' ' 29' ' ' ALA 0.283 . . 46.35 56.53 6.22 Favored 'General case' 1 CA--C 1.837 12.0 0 O-C-N 126.375 2.297 . . . . 0.0 105.681 171.3 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.664 ' N ' ' CA ' ' A' ' 29' ' ' ALA 0.482 49.6 t -78.85 -11.17 59.98 Favored 'General case' 0 N--CA 1.52 3.059 2 CA-C-N 106.763 -4.744 . . . . 0.0 112.746 166.468 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.413 1.7 tmm? -59.33 -49.36 78.11 Favored 'General case' 0 CA--C 1.611 3.3 0 N-CA-C 118.458 2.762 . . . . 0.0 118.458 167.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -65.76 -22.8 66.62 Favored 'General case' 1 N--CA 1.559 5.002 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 169.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.298 . . -67.05 -37.47 84.12 Favored 'General case' 1 N--CA 1.549 4.52 0 O-C-N 119.176 -2.203 . . . . 0.0 115.912 165.839 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 m -61.47 -35.08 76.62 Favored 'General case' 2 N--CA 1.58 6.042 0 CA-C-N 120.935 1.698 . . . . 0.0 111.941 176.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.581 ' C ' ' CA ' ' A' ' 36' ' ' GLN . 2.6 mp -61.02 -43.88 98.24 Favored 'General case' 0 C--O 1.264 1.851 0 CA-C-N 111.532 -2.576 . . . . 0.0 113.391 171.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 1.503 ' N ' ' CA ' ' A' ' 36' ' ' GLN 0.668 0.0 OUTLIER -54.15 -54.21 50.16 Favored Pre-proline 1 N--CA 1.71 12.567 0 CA-C-N 125.55 3.796 . . . . 0.0 117.225 173.968 . . . . . . . . 5 4 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.328 9.4 Cg_endo -59.61 -30.03 91.31 Favored 'Trans proline' 1 C--N 1.465 6.672 0 C-N-CA 124.121 3.214 . . . . 0.0 116.038 161.951 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.462 ' HG2' ' HA ' ' A' ' 35' ' ' LEU 0.308 3.8 pt-20 . . . . . 2 CA--C 1.708 7.021 0 C-N-CA 112.748 -3.581 . . . . 0.0 114.581 160.227 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.428 ' HA ' ' HB2' ' A' ' 4' ' ' CYS . 17.9 p-90 . . . . . 0 CA--C 1.593 2.634 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -69.4 -41.22 76.73 Favored 'General case' 2 C--N 1.454 5.143 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 168.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.61 -17.31 22.35 Favored 'Isoleucine or valine' 0 C--N 1.394 2.5 0 CA-C-N 110.575 -3.011 . . . . 0.0 106.351 161.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -68.01 -66.53 0.55 Allowed 'General case' 0 CA--C 1.614 3.405 1 CA-C-N 126.197 4.09 . . . . 0.0 118.911 165.963 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.537 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.397 13.1 pt-20 -56.6 -56.33 22.69 Favored 'General case' 1 N--CA 1.373 -4.309 1 CA-C-N 107.627 -4.351 . . . . 0.0 115.355 -166.774 . . . . . . . . 5 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.334 5.9 tp10 -73.46 -65.18 0.68 Allowed Pre-proline 1 N--CA 1.561 5.121 1 CA-C-O 111.155 -4.259 . . . . 0.0 109.591 -175.004 . . . . . . . . 4 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -60.02 -63.93 0.11 Allowed 'Trans proline' 0 CA--C 1.576 2.592 0 N-CA-C 122.324 3.932 . . . . 0.0 122.324 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 m -64.47 -51.3 63.72 Favored 'General case' 0 C--O 1.296 3.535 0 C-N-CA 130.26 3.424 . . . . 0.0 114.889 -176.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.1 m -67.82 -35.47 78.66 Favored 'General case' 0 N--CA 1.51 2.539 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 170.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -58.65 -38.72 78.75 Favored 'General case' 1 N--CA 1.619 7.994 0 CA-C-O 111.886 -3.912 . . . . 0.0 111.271 168.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.391 3.1 m-80 -63.98 -37.29 86.89 Favored 'General case' 0 C--O 1.273 2.339 0 CA-C-N 121.778 2.081 . . . . 0.0 115.095 173.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.396 0.2 OUTLIER -55.53 -36.74 67.09 Favored 'General case' 0 C--O 1.182 -2.473 0 O-C-N 127.336 2.897 . . . . 0.0 115.121 165.239 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.4 1.5 m -54.92 -34.57 63.28 Favored 'General case' 1 CA--C 1.645 4.6 0 CA-C-N 121.749 2.068 . . . . 0.0 112.892 166.628 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.491 0.7 OUTLIER -62.24 -31.82 72.43 Favored 'General case' 1 CA--C 1.658 5.112 0 C-N-CA 128.987 2.915 . . . . 0.0 107.246 173.476 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.307 18.1 m170 -66.4 -22.3 66.24 Favored 'General case' 1 N--CA 1.569 5.517 0 CA-C-O 112.597 -3.573 . . . . 0.0 113.368 165.519 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -38.82 72.71 Favored Pre-proline 2 N--CA 1.622 8.17 1 CA-C-O 110.126 -4.75 . . . . 0.0 110.996 -179.812 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -70.45 -26.75 24.0 Favored 'Trans proline' 0 CA--C 1.568 2.207 1 CA-C-O 103.153 -7.103 . . . . 0.0 115.376 161.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.525 HD12 ' H ' ' A' ' 20' ' ' PHE 0.264 3.9 pp -70.71 -40.05 73.06 Favored 'General case' 1 N--CA 1.636 8.849 2 CA-C-N 129.156 5.434 . . . . 0.0 113.703 172.24 . . . . . . . . 5 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.495 0.0 OUTLIER 69.86 15.05 7.95 Favored 'General case' 1 N--CA 1.565 5.277 1 CA-C-N 107.915 -4.22 . . . . 0.0 111.367 164.122 . . . . . . . . 5 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.525 ' H ' HD12 ' A' ' 18' ' ' LEU . 2.9 p90 -100.27 -2.08 34.69 Favored 'General case' 0 C--N 1.422 3.741 2 CA-C-N 127.076 4.489 . . . . 0.0 122.177 173.539 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.283 40.4 t -116.82 55.63 0.82 Allowed 'General case' 0 CA--C 1.606 3.117 0 CA-C-O 115.215 -2.326 . . . . 0.0 108.187 169.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -54.07 12.32 Favored 'General case' 0 N--CA 1.527 3.408 1 CA-C-O 132.806 6.05 . . . . 0.0 110.933 167.566 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.3 p -82.98 -74.84 0.34 Allowed 'General case' 0 C--N 1.424 3.846 1 O-C-N 114.798 -4.939 . . . . 0.0 102.515 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.86 109.98 0.01 OUTLIER Glycine 1 N--CA 1.56 6.966 1 CA-C-O 110.375 -5.681 . . . . 0.0 117.786 -166.008 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.36 0.5 OUTLIER -90.83 62.04 1.39 Allowed 'Trans proline' 0 CA--C 1.58 2.807 1 CA-C-N 125.408 4.604 . . . . 0.0 118.038 -172.375 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mp -126.69 -71.7 0.67 Allowed 'General case' 0 C--O 1.282 2.793 0 N-CA-C 103.374 -2.825 . . . . 0.0 103.374 -173.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 1.536 ' CA ' ' C ' ' A' ' 27' ' ' CYS . 13.3 p -115.87 145.26 34.35 Favored Pre-proline 1 CA--C 1.756 8.881 0 O-C-N 118.004 -2.935 . . . . 0.0 115.224 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -85.62 72.03 4.38 Favored 'Trans proline' 1 N--CA 1.594 7.427 0 C-N-CA 123.029 2.486 . . . . 0.0 116.643 -161.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.414 . . 69.6 56.91 0.34 Allowed 'General case' 0 CA--C 1.575 1.907 0 O-C-N 116.426 -3.922 . . . . 0.0 111.871 -175.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' A' ' 5' ' ' GLU 0.411 42.3 t -91.09 -6.58 53.54 Favored 'General case' 1 N--CA 1.571 5.582 0 O-C-N 116.72 -3.738 . . . . 0.0 114.236 175.709 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.6 tmm? -63.76 -43.83 95.24 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 129.365 3.066 . . . . 0.0 112.06 175.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -53.11 -42.45 65.99 Favored 'General case' 0 C--N 1.403 2.925 0 O-C-N 126.511 2.382 . . . . 0.0 113.454 168.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.574 ' O ' ' HD2' ' A' ' 37' ' ' PRO . . . -55.65 -35.74 66.29 Favored 'General case' 0 N--CA 1.498 1.933 2 O-C-N 110.044 -7.91 . . . . 0.0 120.416 169.346 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.255 22.5 m -63.35 -39.4 94.43 Favored 'General case' 0 N--CA 1.53 3.531 0 C-N-CA 124.074 0.95 . . . . 0.0 112.31 168.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mp -59.79 -43.99 94.16 Favored 'General case' 0 C--N 1.383 2.03 1 CA-C-O 110.488 -4.577 . . . . 0.0 111.028 178.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -69.45 -42.06 19.12 Favored Pre-proline 1 CA--C 1.643 4.548 1 CA-C-N 131.366 6.439 . . . . 0.0 115.576 174.282 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.574 ' HD2' ' O ' ' A' ' 33' ' ' ALA . 2.5 Cg_endo -70.72 -10.86 28.65 Favored 'Trans proline' 2 CA--C 1.705 9.05 0 CA-C-N 127.149 3.589 . . . . 0.0 118.588 169.19 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.453 11.9 pt-20 . . . . . 1 C--O 1.309 4.207 2 O-C-N 137.888 9.492 . . . . 0.0 113.696 162.113 . . . . . . . . 3 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.396 14.1 p-90 . . . . . 1 CA--C 1.683 6.083 0 CA-C-O 112.84 -3.457 . . . . 0.0 111.438 . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -63.1 -50.39 70.71 Favored 'General case' 0 C--N 1.263 -3.174 0 CA-C-N 123.12 2.691 . . . . 0.0 111.903 169.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 tp -62.99 -14.69 14.36 Favored 'Isoleucine or valine' 1 CA--C 1.656 5.039 0 CA-C-N 110.953 -2.839 . . . . 0.0 107.077 171.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.0 t -82.25 -62.39 1.64 Allowed 'General case' 2 C--O 1.317 4.617 1 O-C-N 115.004 -4.81 . . . . 0.0 113.418 172.033 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.507 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.334 10.0 pt-20 -57.79 -51.97 67.37 Favored 'General case' 0 N--CA 1.537 3.89 0 O-C-N 126.068 2.105 . . . . 0.0 107.958 -163.477 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.524 4.9 tp10 -74.62 -55.57 2.58 Favored Pre-proline 0 N--CA 1.534 3.763 2 O-C-N 113.382 -5.824 . . . . 0.0 117.235 -173.56 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -69.61 -65.07 0.04 OUTLIER 'Trans proline' 1 N--CA 1.596 7.55 0 N-CA-C 118.916 2.622 . . . . 0.0 118.916 176.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.295 0.3 OUTLIER -53.9 -55.0 30.91 Favored 'General case' 0 C--N 1.403 2.93 0 N-CA-C 119.271 3.063 . . . . 0.0 119.271 179.026 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.2 m -71.39 -34.78 70.7 Favored 'General case' 0 C--O 1.301 3.782 1 O-C-N 130.028 4.58 . . . . 0.0 110.375 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.3 ttt-85 -58.21 -34.47 70.43 Favored 'General case' 0 C--N 1.396 2.602 2 O-C-N 112.557 -6.339 . . . . 0.0 111.548 171.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -71.01 -36.25 72.35 Favored 'General case' 1 N--CA 1.552 4.675 0 CA-C-O 116.309 -1.805 . . . . 0.0 107.296 174.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.461 0.2 OUTLIER -56.29 -34.54 66.56 Favored 'General case' 0 C--O 1.274 2.376 0 CA-C-O 113.252 -3.261 . . . . 0.0 114.908 167.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -61.92 -24.12 66.77 Favored 'General case' 0 N--CA 1.524 3.271 1 CA-C-N 126.684 4.311 . . . . 0.0 117.204 163.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -69.44 -29.74 67.52 Favored 'General case' 0 C--O 1.288 3.102 0 O-C-N 119.432 -2.042 . . . . 0.0 109.147 165.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.341 19.3 m170 -55.76 -30.93 62.06 Favored 'General case' 0 C--N 1.413 3.363 0 CA-C-N 122.539 2.427 . . . . 0.0 116.831 160.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.332 2.3 tt -47.58 -31.1 1.85 Allowed Pre-proline 1 C--N 1.433 4.239 0 C-N-CA 127.477 2.311 . . . . 0.0 113.092 -177.208 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -73.19 -38.67 2.58 Favored 'Trans proline' 0 CA--C 1.498 -1.315 1 C-N-CA 129.432 6.755 . . . . 0.0 115.531 161.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.455 HD12 ' H ' ' A' ' 20' ' ' PHE . 3.1 pp -69.26 -38.09 78.26 Favored 'General case' 2 CA--C 1.695 6.536 1 CA-C-N 126.245 4.112 . . . . 0.0 105.569 176.472 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.281 0.0 OUTLIER 61.21 24.06 14.2 Favored 'General case' 0 CA--C 1.623 3.78 0 C-N-CA 128.999 2.92 . . . . 0.0 113.644 168.46 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.455 ' H ' HD12 ' A' ' 18' ' ' LEU 0.445 1.4 p90 -95.84 -16.34 21.91 Favored 'General case' 1 N--CA 1.578 5.972 0 N-CA-C 121.057 3.725 . . . . 0.0 121.057 171.429 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.309 28.6 t -109.92 48.07 0.91 Allowed 'General case' 0 N--CA 1.518 2.969 0 N-CA-C 120.018 3.34 . . . . 0.0 120.018 169.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.276 0.0 OUTLIER -50.37 -51.0 49.81 Favored 'General case' 1 C--N 1.463 5.527 0 CA-C-N 110.71 -2.95 . . . . 0.0 110.853 177.574 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -81.32 -70.08 0.56 Allowed 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 108.677 -3.874 . . . . 0.0 103.633 173.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.03 120.16 0.02 OUTLIER Glycine 1 CA--C 1.614 6.262 2 CA-C-O 111.499 -5.056 . . . . 0.0 114.305 -165.345 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -101.84 55.81 0.03 OUTLIER 'Trans proline' 0 N--CA 1.528 3.526 1 CA-C-N 132.276 8.038 . . . . 0.0 112.084 -176.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mp -115.53 -60.9 1.82 Allowed 'General case' 0 CA--C 1.595 2.675 0 CA-C-O 123.572 1.653 . . . . 0.0 111.797 174.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.0 p -119.56 117.64 32.69 Favored Pre-proline 1 N--CA 1.593 6.689 0 CA-C-N 111.11 -2.768 . . . . 0.0 114.804 -177.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -58.58 75.12 0.04 OUTLIER 'Trans proline' 2 C--N 1.49 8.011 2 C-N-CA 129.462 6.775 . . . . 0.0 125.715 -172.936 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 1.544 ' CA ' ' C ' ' A' ' 29' ' ' ALA 0.409 . . 62.06 57.14 2.13 Favored 'General case' 2 CA--C 1.741 8.318 0 CA-C-O 124.212 1.958 . . . . 0.0 111.655 -175.539 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.507 ' SG ' ' HB3' ' A' ' 5' ' ' GLU 0.374 19.4 t -94.73 -2.16 51.63 Favored 'General case' 1 N--CA 1.54 4.054 0 O-C-N 118.992 -2.317 . . . . 0.0 111.885 176.85 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.264 4.9 tmm? -68.64 -37.56 79.78 Favored 'General case' 0 C--N 1.421 3.716 0 O-C-N 118.384 -2.698 . . . . 0.0 113.265 176.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -63.08 -30.98 72.02 Favored 'General case' 1 CA--C 1.7 6.741 0 O-C-N 128.081 3.363 . . . . 0.0 108.643 176.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.65 -30.09 67.7 Favored 'General case' 1 N--CA 1.607 7.388 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 174.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.257 6.6 m -68.92 -36.12 77.63 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 169.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mp -65.75 -31.31 72.22 Favored 'General case' 0 N--CA 1.502 2.149 1 CA-C-O 109.847 -4.882 . . . . 0.0 114.512 177.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -70.82 -46.57 16.29 Favored Pre-proline 2 CA--C 1.67 5.567 0 CA-C-N 125.716 3.871 . . . . 0.0 119.827 163.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -67.72 -9.01 24.09 Favored 'Trans proline' 0 CA--C 1.469 -2.729 1 N-CA-C 125.231 5.05 . . . . 0.0 125.231 167.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.387 9.4 pt-20 . . . . . 0 CA--C 1.601 2.907 0 O-C-N 120.111 -1.618 . . . . 0.0 114.022 156.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 8.2 p-90 . . . . . 1 N--CA 1.558 4.951 1 N-CA-C 121.854 4.02 . . . . 0.0 121.854 . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.28 4.7 mp -75.48 -52.66 10.15 Favored 'General case' 0 N--CA 1.507 2.39 1 O-C-N 113.001 -6.062 . . . . 0.0 108.487 164.219 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.389 10.0 tp -53.41 -18.57 1.84 Allowed 'Isoleucine or valine' 2 N--CA 1.548 4.446 0 C-N-CA 115.016 -2.674 . . . . 0.0 116.121 167.195 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 t -73.52 -71.0 0.34 Allowed 'General case' 0 C--N 1.25 -3.731 0 CA-C-O 126.201 2.905 . . . . 0.0 116.961 167.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.553 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.424 9.1 pt-20 -48.65 -60.25 2.87 Favored 'General case' 1 N--CA 1.548 4.451 0 CA-C-N 109.969 -3.287 . . . . 0.0 112.714 -168.686 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.604 4.6 tp10 -65.05 -59.66 9.6 Favored Pre-proline 1 N--CA 1.561 5.11 2 O-C-N 114.712 -4.992 . . . . 0.0 113.816 -172.412 . . . . . . . . 4 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -77.19 -64.01 0.03 OUTLIER 'Trans proline' 0 CA--C 1.591 3.355 1 C-N-CA 126.292 4.661 . . . . 0.0 111.463 -174.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.261 0.2 OUTLIER -56.74 -48.98 76.58 Favored 'General case' 0 N--CA 1.511 2.599 1 N-CA-C 122.239 4.162 . . . . 0.0 122.239 -176.96 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.462 19.7 m -67.87 -40.09 83.66 Favored 'General case' 0 C--O 1.193 -1.909 1 C-N-CA 133.239 4.616 . . . . 0.0 115.102 172.832 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.4 ttt-85 -60.16 -45.6 92.54 Favored 'General case' 0 C--N 1.424 3.815 0 C-N-CA 117.365 -1.734 . . . . 0.0 110.215 168.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -61.09 -38.32 85.87 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 121.777 2.08 . . . . 0.0 109.418 171.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.472 0.2 OUTLIER -54.1 -38.02 64.92 Favored 'General case' 2 N--CA 1.568 5.469 0 CA-C-O 115.083 -2.389 . . . . 0.0 114.522 168.956 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.328 1.3 m -56.92 -42.94 80.87 Favored 'General case' 0 N--CA 1.529 3.495 0 O-C-N 124.89 1.369 . . . . 0.0 113.668 170.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.465 2.9 mtt180 -45.83 -40.51 9.89 Favored 'General case' 1 N--CA 1.556 4.841 0 C-N-CA 112.43 -3.708 . . . . 0.0 117.037 160.179 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -61.45 -24.34 66.49 Favored 'General case' 0 CA--C 1.624 3.821 1 O-C-N 130.739 5.024 . . . . 0.0 114.847 173.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.4 2.9 tt -47.21 -38.09 12.93 Favored Pre-proline 1 C--N 1.45 4.955 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -176.878 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.26 -39.69 22.05 Favored 'Trans proline' 1 CA--C 1.608 4.176 0 N-CA-C 119.412 2.812 . . . . 0.0 119.412 165.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.328 2.9 pp -63.24 -36.29 83.18 Favored 'General case' 1 CA--C 1.696 6.573 0 O-C-N 116.864 -3.648 . . . . 0.0 109.653 168.029 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 46.47 37.88 4.81 Favored 'General case' 0 C--O 1.266 1.963 0 N-CA-C 120.266 3.432 . . . . 0.0 120.266 177.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.466 4.0 p90 -104.52 -22.51 13.27 Favored 'General case' 1 N--CA 1.643 9.19 0 CA-C-O 114.439 -2.696 . . . . 0.0 113.318 173.67 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.508 13.5 t -100.14 43.7 1.05 Allowed 'General case' 0 C--O 1.302 3.82 0 O-C-N 128.64 3.713 . . . . 0.0 120.19 169.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.328 0.0 OUTLIER -51.71 -61.15 2.43 Favored 'General case' 1 CA--C 1.651 4.852 0 CA-C-N 109.599 -3.455 . . . . 0.0 109.945 -179.475 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.339 46.0 p -64.18 -61.97 1.92 Allowed 'General case' 0 C--N 1.377 1.769 2 O-C-N 134.471 7.357 . . . . 0.0 114.617 162.586 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.92 128.09 0.02 OUTLIER Glycine 1 CA--C 1.658 9.025 0 CA-C-O 114.948 -3.14 . . . . 0.0 107.971 -173.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -112.81 57.16 0.0 OUTLIER 'Trans proline' 2 N--CA 1.63 9.552 2 CA-C-N 130.155 6.978 . . . . 0.0 108.781 176.62 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.72 -61.94 1.67 Allowed 'General case' 2 CA--C 1.663 5.313 0 O-C-N 126.154 2.159 . . . . 0.0 110.037 167.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . 0.318 1.6 p -115.49 110.61 44.74 Favored Pre-proline 0 N--CA 1.529 3.514 0 O-C-N 128.642 3.714 . . . . 0.0 115.631 -175.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER -56.65 82.86 0.04 OUTLIER 'Trans proline' 2 N--CA 1.548 4.699 1 N-CA-C 131.19 7.342 . . . . 0.0 131.19 -176.106 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 1.512 ' CA ' ' C ' ' A' ' 29' ' ' ALA . . . 48.78 65.96 1.22 Allowed 'General case' 1 CA--C 1.77 9.439 0 O-C-N 128.909 3.881 . . . . 0.0 112.004 -168.705 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.572 ' N ' ' CA ' ' A' ' 29' ' ' ALA . 5.2 t -86.27 -11.68 51.62 Favored 'General case' 0 N--CA 1.527 3.395 0 C-N-CA 130.265 3.426 . . . . 0.0 109.731 172.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.309 5.0 tmm? -79.64 -28.37 40.86 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 126.131 2.144 . . . . 0.0 113.244 -175.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.326 8.0 pttt -62.65 -29.05 70.34 Favored 'General case' 1 CA--C 1.665 5.368 0 C-N-CA 125.52 1.528 . . . . 0.0 114.308 166.714 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.24 -34.17 65.72 Favored 'General case' 1 CA--C 1.691 6.396 1 O-C-N 130.346 4.779 . . . . 0.0 114.262 175.259 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.366 1.3 m -59.24 -46.04 89.55 Favored 'General case' 0 CA--C 1.627 3.937 0 CA-C-O 125.68 2.657 . . . . 0.0 113.302 169.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.682 ' C ' ' CA ' ' A' ' 36' ' ' GLN . 6.5 mp -55.39 -37.72 67.96 Favored 'General case' 0 C--O 1.292 3.329 0 N-CA-C 119.183 3.031 . . . . 0.0 119.183 174.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 1.532 ' N ' ' CA ' ' A' ' 36' ' ' GLN . 58.0 mt-30 -64.62 -68.23 0.84 Allowed Pre-proline 2 N--CA 1.676 10.863 0 C-N-CA 116.783 -1.967 . . . . 0.0 114.103 165.004 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -50.48 -18.5 3.8 Favored 'Trans proline' 0 C--N 1.388 2.611 2 C-N-CA 128.686 6.257 . . . . 0.0 116.582 176.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.353 13.0 pt-20 . . . . . 0 C--O 1.303 3.912 1 CA-C-O 130.141 4.781 . . . . 0.0 110.054 161.284 . . . . . . . . 2 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 . . . . . 1 CA--C 1.629 4.018 0 N-CA-C 120.673 3.583 . . . . 0.0 120.673 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mp -89.85 -45.1 9.49 Favored 'General case' 0 N--CA 1.52 3.048 0 O-C-N 116.427 -3.921 . . . . 0.0 101.121 173.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.441 9.8 tp -52.63 -21.5 2.91 Favored 'Isoleucine or valine' 1 C--N 1.434 4.267 1 O-C-N 116.203 -4.061 . . . . 0.0 120.985 162.177 . . . . . . . . 4 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -77.88 -59.56 2.73 Favored 'General case' 0 C--N 1.396 2.599 0 N-CA-C 120.457 3.503 . . . . 0.0 120.457 163.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.486 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.358 11.5 pt-20 -50.8 -63.99 0.95 Allowed 'General case' 0 C--N 1.259 -3.367 0 CA-C-N 123.414 2.825 . . . . 0.0 117.878 -170.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -68.99 -55.67 10.16 Favored Pre-proline 2 CA--C 1.692 6.43 1 CA-C-O 109.205 -5.188 . . . . 0.0 113.536 -176.306 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -71.14 -56.82 0.11 Allowed 'Trans proline' 0 CA--C 1.559 1.733 0 O-C-N 126.163 2.665 . . . . 0.0 114.418 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -69.85 -45.86 66.85 Favored 'General case' 1 CA--C 1.721 7.556 0 C-N-CA 125.785 1.634 . . . . 0.0 114.502 -162.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.377 5.5 m -73.01 -37.41 66.97 Favored 'General case' 2 N--CA 1.585 6.297 3 O-C-N 134.004 7.065 . . . . 0.0 114.907 171.288 . . . . . . . . 4 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -55.94 -52.27 64.72 Favored 'General case' 1 N--CA 1.575 5.821 0 N-CA-C 117.383 2.364 . . . . 0.0 117.383 159.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -55.84 -36.87 68.0 Favored 'General case' 0 CA--C 1.605 3.058 0 CA-C-N 119.779 1.172 . . . . 0.0 113.807 162.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.367 0.6 OUTLIER -58.02 -33.69 69.22 Favored 'General case' 2 N--CA 1.595 6.786 1 O-C-N 116.249 -4.032 . . . . 0.0 117.548 166.601 . . . . . . . . 5 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.2 m -63.15 -34.21 77.13 Favored 'General case' 1 CA--C 1.673 5.701 1 O-C-N 116.222 -4.049 . . . . 0.0 113.345 174.051 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.259 1.3 mtt180 -55.54 -29.18 58.47 Favored 'General case' 0 N--CA 1.404 -2.766 0 C-N-CA 117.273 -1.771 . . . . 0.0 115.184 159.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.356 19.0 m170 -66.16 -27.89 68.36 Favored 'General case' 1 CA--C 1.651 4.836 0 CA-C-O 114.956 -2.449 . . . . 0.0 110.132 169.843 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.264 0.7 OUTLIER -48.98 -35.43 10.15 Favored Pre-proline 2 N--CA 1.566 5.368 0 CA-C-O 113.056 -3.354 . . . . 0.0 108.504 -172.233 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.58 -33.6 13.24 Favored 'Trans proline' 1 CA--C 1.714 9.5 1 C-N-CA 130.151 7.234 . . . . 0.0 117.44 170.444 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.458 2.6 pp -67.57 -40.36 84.89 Favored 'General case' 0 N--CA 1.524 3.253 0 CA-C-O 114.409 -2.71 . . . . 0.0 110.764 158.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 42.14 41.7 2.15 Favored 'General case' 1 N--CA 1.597 6.897 1 N-CA-C 123.177 4.51 . . . . 0.0 123.177 -177.089 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -111.04 -18.04 13.13 Favored 'General case' 1 C--N 1.445 4.751 0 O-C-N 120.598 -1.314 . . . . 0.0 113.498 174.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 t -112.86 55.02 0.7 Allowed 'General case' 1 CA--C 1.647 4.687 1 CA-C-O 131.707 5.527 . . . . 0.0 108.951 174.23 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.301 0.0 OUTLIER -56.82 -66.81 0.38 Allowed 'General case' 0 C--O 1.273 2.328 0 CA-C-N 108.504 -3.953 . . . . 0.0 107.003 171.545 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -57.85 -63.39 1.27 Allowed 'General case' 0 C--N 1.426 3.913 0 CA-C-O 114.565 -2.636 . . . . 0.0 114.073 163.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.88 118.33 0.01 OUTLIER Glycine 2 CA--C 1.676 10.124 0 CA-C-O 114.73 -3.261 . . . . 0.0 110.592 -172.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -99.87 51.8 0.05 OUTLIER 'Trans proline' 1 N--CA 1.63 9.549 1 CA-C-N 124.397 4.098 . . . . 0.0 117.478 177.13 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp -106.8 -76.24 0.62 Allowed 'General case' 1 CA--C 1.678 5.873 0 CA-C-O 127.51 3.529 . . . . 0.0 109.186 175.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . 0.345 1.3 p -111.45 131.39 22.32 Favored Pre-proline 1 C--N 1.509 7.541 1 CA-C-N 108.1 -4.136 . . . . 0.0 111.009 -176.237 . . . . . . . . 4 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -80.27 79.82 3.22 Favored 'Trans proline' 1 CA--C 1.672 7.407 0 N-CA-C 121.149 3.48 . . . . 0.0 121.149 -168.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 55.35 60.69 3.24 Favored 'General case' 1 CA--C 1.694 6.493 1 C-N-CA 133.393 4.677 . . . . 0.0 110.15 -171.678 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.486 ' SG ' ' HB3' ' A' ' 5' ' ' GLU 0.255 4.2 t -78.63 -5.77 53.84 Favored 'General case' 0 C--O 1.179 -2.649 0 N-CA-C 121.472 3.879 . . . . 0.0 121.472 165.382 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 tmm? -77.16 -37.53 53.69 Favored 'General case' 0 CA--C 1.595 2.692 0 C-N-CA 129.859 3.263 . . . . 0.0 110.5 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.271 16.0 pttt -55.41 -38.86 69.49 Favored 'General case' 1 N--CA 1.557 4.913 0 O-C-N 118.735 -2.478 . . . . 0.0 116.493 162.359 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.344 . . -60.41 -36.35 77.93 Favored 'General case' 0 C--N 1.4 2.762 1 N-CA-C 123.316 4.562 . . . . 0.0 123.316 169.709 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -63.51 -40.25 96.56 Favored 'General case' 1 N--CA 1.553 4.7 1 O-C-N 114.498 -5.126 . . . . 0.0 113.084 166.867 . . . . . . . . 5 4 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.289 4.5 mp -47.33 -40.71 17.8 Favored 'General case' 0 C--O 1.266 1.932 0 C-N-CA 128.893 2.877 . . . . 0.0 117.004 169.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -72.93 -57.69 2.92 Favored Pre-proline 1 CA--C 1.685 6.159 0 N-CA-C 120.56 3.541 . . . . 0.0 120.56 171.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -59.11 -13.14 18.07 Favored 'Trans proline' 1 N--CA 1.554 5.046 0 C-N-CA 123.332 2.688 . . . . 0.0 113.168 170.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 34' ' ' THR . 11.2 pt-20 . . . . . 1 CA--C 1.66 5.21 0 CA-C-N 124.542 3.337 . . . . 0.0 105.992 161.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.413 33.0 p-90 . . . . . 0 CA--C 1.601 2.92 1 N-CA-C 125.551 5.389 . . . . 0.0 125.551 . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.272 4.7 mp -76.93 -45.16 28.83 Favored 'General case' 1 CA--C 1.693 6.47 1 CA-C-N 108.383 -4.008 . . . . 0.0 106.879 174.641 . . . . . . . . 4 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 tp -63.14 -19.28 23.34 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.21 0 CA-C-N 122.407 2.367 . . . . 0.0 111.545 168.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.5 t -75.89 -62.12 1.7 Allowed 'General case' 0 C--O 1.197 -1.681 0 CA-C-O 115.999 -1.953 . . . . 0.0 115.479 166.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.344 10.5 pt-20 -51.39 -61.53 2.19 Favored 'General case' 0 N--CA 1.524 3.272 0 N-CA-C 120.85 3.648 . . . . 0.0 120.85 -168.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.445 ' HA ' HG23 ' A' ' 34' ' ' THR . 4.9 tp10 -66.32 -54.91 22.29 Favored Pre-proline 0 N--CA 1.392 -3.368 0 N-CA-C 119.642 3.201 . . . . 0.0 119.642 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.312 87.9 Cg_endo -70.02 -56.9 0.12 Allowed 'Trans proline' 0 C--N 1.381 2.282 2 O-C-N 110.43 -5.616 . . . . 0.0 115.988 174.25 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 m -68.94 -49.65 56.21 Favored 'General case' 1 N--CA 1.543 4.21 0 CA-C-O 126.224 2.916 . . . . 0.0 114.291 -162.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.514 3.9 m -58.34 -47.55 83.4 Favored 'General case' 1 C--N 1.436 4.335 0 C-N-CA 129.127 2.971 . . . . 0.0 118.519 171.367 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.254 11.7 ttt-85 -51.94 -48.3 64.32 Favored 'General case' 1 CA--C 1.633 4.16 0 N-CA-C 121.642 3.942 . . . . 0.0 121.642 163.156 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.276 14.0 m-80 -56.26 -39.64 72.94 Favored 'General case' 1 CA--C 1.681 5.982 0 CA-C-O 114.183 -2.817 . . . . 0.0 109.46 153.991 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.523 0.5 OUTLIER -54.55 -36.16 64.01 Favored 'General case' 1 CA--C 1.642 4.486 2 CA-C-N 130.994 6.27 . . . . 0.0 117.58 172.737 . . . . . . . . 5 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -57.81 -35.11 70.39 Favored 'General case' 1 N--CA 1.548 4.436 0 CA-C-O 127.225 3.393 . . . . 0.0 118.229 170.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' O ' ' HD2' ' A' ' 17' ' ' PRO . 2.3 mtt180 -63.06 -35.47 80.35 Favored 'General case' 1 N--CA 1.592 6.644 0 CA-C-N 110.899 -2.864 . . . . 0.0 106.729 166.517 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.344 12.1 m170 -57.69 -32.79 67.69 Favored 'General case' 2 N--CA 1.608 7.459 1 O-C-N 115.976 -4.202 . . . . 0.0 113.608 165.226 . . . . . . . . 4 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.258 0.6 OUTLIER -44.31 -33.12 1.06 Allowed Pre-proline 1 CA--C 1.649 4.751 2 O-C-N 113.687 -5.633 . . . . 0.0 110.956 -173.329 . . . . . . . . 5 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 14' ' ' ARG . 89.4 Cg_endo -69.81 -33.6 16.09 Favored 'Trans proline' 1 N--CA 1.541 4.267 1 C-N-CA 133.026 9.151 . . . . 0.0 119.836 166.966 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.59 1.4 pp -69.84 -43.99 70.84 Favored 'General case' 1 N--CA 1.56 5.029 0 CA-C-N 111.48 -2.6 . . . . 0.0 110.185 160.239 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.266 0.0 OUTLIER 47.78 35.01 4.23 Favored 'General case' 0 CA--C 1.625 3.852 0 N-CA-C 121.366 3.839 . . . . 0.0 121.366 178.881 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -107.62 -19.88 13.41 Favored 'General case' 0 C--O 1.273 2.323 0 CA-C-N 123.93 3.059 . . . . 0.0 117.036 171.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 t -113.95 62.75 0.66 Allowed 'General case' 0 CA--C 1.628 3.948 0 CA-C-O 128.395 3.95 . . . . 0.0 105.991 169.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.374 0.0 OUTLIER -59.77 -61.16 2.82 Favored 'General case' 0 CA--C 1.556 1.19 1 O-C-N 114.043 -5.411 . . . . 0.0 111.463 161.687 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -69.76 -69.14 0.36 Allowed 'General case' 1 N--CA 1.548 4.43 0 O-C-N 128.861 3.851 . . . . 0.0 106.908 167.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.35 112.55 0.01 OUTLIER Glycine 0 C--N 1.388 3.445 0 CA-C-N 125.081 3.582 . . . . 0.0 117.35 -161.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.276 3.6 Cg_endo -82.38 45.89 2.05 Favored 'Trans proline' 1 CA--C 1.727 10.134 1 N-CA-C 123.515 4.39 . . . . 0.0 123.515 -179.783 . . . . . . . . 4 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -115.95 -71.16 0.75 Allowed 'General case' 0 CA--C 1.622 3.717 0 C-N-CA 130.133 3.373 . . . . 0.0 110.963 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.498 ' SG ' ' CB ' ' A' ' 30' ' ' CYS . 1.3 p -116.4 142.23 29.15 Favored Pre-proline 0 N--CA 1.52 3.07 1 N-CA-C 98.695 -4.557 . . . . 0.0 98.695 -173.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.298 89.7 Cg_endo -101.42 72.42 0.04 OUTLIER 'Trans proline' 2 CA--C 1.696 8.587 0 O-C-N 117.046 -2.134 . . . . 0.0 109.226 -158.647 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.604 . . 79.19 44.6 0.06 Allowed 'General case' 0 C--N 1.403 2.901 0 O-C-N 116.355 -3.966 . . . . 0.0 115.035 -176.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.498 ' CB ' ' SG ' ' A' ' 27' ' ' CYS 0.361 4.8 t -83.18 -3.99 57.94 Favored 'General case' 0 CA--C 1.613 3.377 0 N-CA-C 119.46 3.133 . . . . 0.0 119.46 174.604 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -76.46 -37.64 56.62 Favored 'General case' 2 N--CA 1.605 7.312 0 C-N-CA 130.455 3.502 . . . . 0.0 105.831 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.282 12.8 pttt -57.89 -43.91 86.38 Favored 'General case' 1 N--CA 1.558 4.939 0 CA-C-O 114.78 -2.533 . . . . 0.0 113.182 165.555 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.24 69.4 Favored 'General case' 1 N--CA 1.592 6.656 0 CA-C-O 112.755 -3.498 . . . . 0.0 117.303 169.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.445 HG23 ' HA ' ' A' ' 6' ' ' GLU . 1.6 m -72.94 -38.76 66.67 Favored 'General case' 2 N--CA 1.625 8.281 0 CA-C-N 124.354 3.252 . . . . 0.0 109.826 166.347 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.254 7.1 mp -44.24 -32.05 1.17 Allowed 'General case' 1 N--CA 1.561 5.094 0 CA-C-O 113.962 -2.923 . . . . 0.0 116.663 168.275 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -78.72 -57.0 0.86 Allowed Pre-proline 0 CA--C 1.599 2.853 0 N-CA-C 121.738 3.977 . . . . 0.0 121.738 171.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 1.518 ' CB ' ' CA ' ' A' ' 37' ' ' PRO 0.394 37.3 Cg_endo -59.85 -16.46 38.14 Favored 'Trans proline' 1 C--N 1.452 5.974 1 C-N-CA 128.536 6.157 . . . . 0.0 113.941 167.793 . . . . . . . . 5 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.483 11.0 pt-20 . . . . . 2 C--N 1.486 6.521 0 CA-C-N 122.275 2.307 . . . . 0.0 104.935 165.635 . . . . . . . . 2 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 . . . . . 0 CA--C 1.617 3.557 1 CA-C-O 110.903 -4.38 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.566 HD12 ' H ' ' A' ' 2' ' ' LEU 0.333 2.4 mp -63.88 -50.17 69.83 Favored 'General case' 0 C--N 1.391 2.411 1 O-C-N 130.006 4.566 . . . . 0.0 114.264 162.309 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.507 9.8 tp -50.32 -30.95 7.87 Favored 'Isoleucine or valine' 0 C--O 1.303 3.886 1 N-CA-C 125.944 5.535 . . . . 0.0 125.944 170.722 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -66.38 -60.69 2.52 Favored 'General case' 1 CA--C 1.655 4.986 0 CA-C-N 108.596 -3.911 . . . . 0.0 116.503 168.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.514 3.4 pt-20 -49.09 -58.69 4.54 Favored 'General case' 0 CA--C 1.589 2.446 0 N-CA-C 121.138 3.755 . . . . 0.0 121.138 -168.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -69.17 -58.28 6.38 Favored Pre-proline 0 N--CA 1.534 3.757 1 CA-C-O 108.489 -5.529 . . . . 0.0 114.158 175.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.37 0.7 OUTLIER -75.76 -57.56 0.05 OUTLIER 'Trans proline' 1 CA--C 1.625 5.054 0 CA-C-N 125.286 2.924 . . . . 0.0 118.517 -179.73 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.294 0.8 OUTLIER -52.82 -57.99 8.39 Favored 'General case' 1 C--N 1.444 4.71 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -177.587 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.0 m -77.2 -36.94 54.43 Favored 'General case' 2 C--N 1.228 -4.699 0 C-N-CA 127.435 2.294 . . . . 0.0 108.579 -168.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -54.57 -38.54 66.81 Favored 'General case' 2 N--CA 1.553 4.686 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 167.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -61.41 -40.6 95.01 Favored 'General case' 2 CA--C 1.665 5.367 0 CA-C-O 116.729 -1.605 . . . . 0.0 109.529 164.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.564 0.6 OUTLIER -63.63 -33.92 76.68 Favored 'General case' 1 N--CA 1.646 9.375 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 175.512 . . . . . . . . 5 4 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -60.52 -32.7 71.71 Favored 'General case' 2 C--N 1.437 4.412 1 CA-C-O 111.232 -4.223 . . . . 0.0 118.488 169.514 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.9 -34.68 75.04 Favored 'General case' 1 CA--C 1.641 4.458 2 O-C-N 131.906 5.754 . . . . 0.0 114.651 158.319 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.38 45.1 m170 -55.03 -34.63 63.67 Favored 'General case' 1 CA--C 1.721 7.537 1 O-C-N 132.574 6.171 . . . . 0.0 111.8 166.033 . . . . . . . . 5 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.53 ' CD2' ' CG ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -43.54 -36.12 1.98 Allowed Pre-proline 1 N--CA 1.549 4.522 0 CA-C-O 113.045 -3.359 . . . . 0.0 118.362 -178.933 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -57.95 -42.27 60.08 Favored 'Trans proline' 2 N--CA 1.572 6.097 1 C-N-CA 132.103 8.535 . . . . 0.0 111.79 164.179 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 15' ' ' HIS . 1.7 pp -71.99 -48.79 42.36 Favored 'General case' 0 N--CA 1.526 3.373 0 CA-C-O 116.772 -1.585 . . . . 0.0 109.923 168.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.01 38.71 10.79 Favored 'General case' 1 N--CA 1.542 4.129 0 CA-C-N 122.615 2.462 . . . . 0.0 110.061 164.87 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -106.31 -31.16 8.74 Favored 'General case' 1 N--CA 1.557 4.885 0 CA-C-N 122.911 2.596 . . . . 0.0 117.868 161.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' A' ' 21' ' ' SER . 2.0 t -90.91 43.78 1.16 Allowed 'General case' 0 CA--C 1.49 -1.36 0 O-C-N 126.867 2.605 . . . . 0.0 116.074 165.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.426 0.0 OUTLIER -45.26 -56.98 4.3 Favored 'General case' 1 CA--C 1.633 4.157 0 CA-C-O 124.908 2.29 . . . . 0.0 108.624 172.326 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.5 p -68.79 -69.65 0.32 Allowed 'General case' 1 N--CA 1.558 4.945 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 170.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.88 126.83 0.1 OUTLIER Glycine 0 CA--C 1.573 3.66 1 CA-C-O 112.182 -4.677 . . . . 0.0 111.633 -174.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.38 0.0 OUTLIER -93.04 53.94 0.45 Allowed 'Trans proline' 1 N--CA 1.553 5.023 2 CA-C-N 126.755 5.278 . . . . 0.0 117.085 176.506 . . . . . . . . 5 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.312 7.0 mp -127.66 -52.34 1.36 Allowed 'General case' 1 N--CA 1.557 4.911 1 O-C-N 116.183 -4.073 . . . . 0.0 109.348 -179.877 . . . . . . . . 4 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.613 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 1.7 p -139.36 122.25 10.51 Favored Pre-proline 0 C--O 1.189 -2.112 1 O-C-N 115.983 -4.198 . . . . 0.0 100.513 -168.192 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -84.09 68.56 6.62 Favored 'Trans proline' 1 CA--C 1.429 -4.754 0 N-CA-C 119.139 2.707 . . . . 0.0 119.139 -162.267 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.31 70.83 0.26 Allowed 'General case' 1 CA--C 1.662 5.274 0 O-C-N 126.521 2.388 . . . . 0.0 115.409 -173.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.613 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 5.6 t -99.14 -17.38 18.22 Favored 'General case' 1 CA--C 1.697 6.61 1 CA-C-N 106.165 -5.016 . . . . 0.0 111.047 179.313 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -35.29 76.95 Favored 'General case' 0 C--N 1.426 3.926 0 N-CA-C 120.413 3.486 . . . . 0.0 120.413 168.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -74.09 -35.41 64.19 Favored 'General case' 1 CA--C 1.709 7.073 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.6 171.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.14 -31.77 69.26 Favored 'General case' 0 N--CA 1.519 2.995 0 CA-C-O 112.63 -3.557 . . . . 0.0 120.196 163.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 m -61.2 -39.78 91.5 Favored 'General case' 1 CA--C 1.652 4.866 0 CA-C-N 125.437 3.744 . . . . 0.0 111.293 165.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.27 -28.24 67.9 Favored 'General case' 0 CA--C 1.584 2.283 0 C-N-CA 126.823 2.049 . . . . 0.0 109.69 -171.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -72.74 -60.05 2.12 Favored Pre-proline 2 N--CA 1.589 6.517 1 CA-C-O 107.626 -5.94 . . . . 0.0 118.291 164.193 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -61.84 -13.17 29.16 Favored 'Trans proline' 0 N--CA 1.523 3.228 1 C-N-CA 126.406 4.737 . . . . 0.0 113.951 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 2 CA--C 1.697 6.616 1 CA-C-O 106.951 -6.261 . . . . 0.0 117.384 163.332 . . . . . . . . 2 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 4.0 p-90 . . . . . 0 CA--C 1.615 3.451 0 CA-C-O 116.171 -1.871 . . . . 0.0 107.945 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mp -83.93 -46.3 12.25 Favored 'General case' 0 CA--C 1.621 3.686 0 N-CA-C 101.223 -3.621 . . . . 0.0 101.223 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.411 9.9 tp -55.1 -34.33 31.97 Favored 'Isoleucine or valine' 2 CA--C 1.709 7.064 0 CA-C-N 123.214 2.734 . . . . 0.0 114.31 175.381 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.341 2.5 t -70.69 -56.12 7.15 Favored 'General case' 0 CA--C 1.605 3.086 2 O-C-N 132.511 6.132 . . . . 0.0 114.751 172.86 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.429 3.3 pt-20 -53.94 -60.94 2.67 Favored 'General case' 0 N--CA 1.533 3.711 0 N-CA-C 117.393 2.368 . . . . 0.0 117.393 -168.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.53 -51.38 32.39 Favored Pre-proline 0 C--N 1.4 2.775 0 CA-C-O 113.154 -3.308 . . . . 0.0 115.464 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.364 0.1 OUTLIER -80.69 -53.05 0.04 OUTLIER 'Trans proline' 1 C--N 1.453 6.038 0 N-CA-C 121.143 3.478 . . . . 0.0 121.143 173.841 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.5 m -56.92 -60.02 4.2 Favored 'General case' 1 N--CA 1.586 6.336 0 CA-C-O 128.348 3.927 . . . . 0.0 114.443 -176.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.33 6.0 m -69.14 -35.34 76.26 Favored 'General case' 0 C--O 1.288 3.114 1 O-C-N 115.742 -4.349 . . . . 0.0 115.709 -178.851 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.323 11.2 ttt-85 -50.56 -38.45 45.13 Favored 'General case' 0 C--N 1.419 3.593 0 CA-C-N 123.641 2.928 . . . . 0.0 112.799 170.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -62.73 -41.72 99.32 Favored 'General case' 1 N--CA 1.546 4.355 1 CA-C-N 108.2 -4.091 . . . . 0.0 114.398 167.495 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.358 0.1 OUTLIER -68.2 -33.57 74.68 Favored 'General case' 1 N--CA 1.602 7.164 0 CA-C-O 112.46 -3.638 . . . . 0.0 112.359 174.604 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.4 m -56.99 -38.9 73.69 Favored 'General case' 0 N--CA 1.519 3.005 1 CA-C-O 110.913 -4.375 . . . . 0.0 113.174 170.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.35 -29.17 70.27 Favored 'General case' 0 N--CA 1.506 2.345 1 O-C-N 129.459 4.224 . . . . 0.0 111.216 166.3 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.317 10.3 m170 -56.27 -32.47 64.57 Favored 'General case' 0 C--N 1.409 3.17 0 O-C-N 118.723 -2.486 . . . . 0.0 111.678 163.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.29 -38.81 16.03 Favored Pre-proline 1 CA--C 1.737 8.141 2 O-C-N 112.296 -6.502 . . . . 0.0 115.055 -175.258 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.267 22.2 Cg_endo -64.04 -27.44 65.78 Favored 'Trans proline' 0 C--N 1.285 -2.778 1 C-N-CA 127.904 5.736 . . . . 0.0 114.936 167.034 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.368 1.7 pp -74.02 -52.38 12.93 Favored 'General case' 1 N--CA 1.579 6.022 1 O-C-N 116.249 -4.032 . . . . 0.0 108.109 158.997 . . . . . . . . 4 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 64.36 39.21 7.29 Favored 'General case' 0 N--CA 1.529 3.519 0 CA-C-N 121.441 1.928 . . . . 0.0 110.721 168.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.416 47.4 p90 -109.04 -32.57 7.19 Favored 'General case' 0 N--CA 1.525 3.318 0 O-C-N 125.465 1.728 . . . . 0.0 114.004 171.074 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 t -96.09 51.21 1.21 Allowed 'General case' 0 N--CA 1.527 3.417 0 CA-C-O 112.698 -3.525 . . . . 0.0 104.747 171.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.439 0.0 OUTLIER -50.69 -52.41 40.37 Favored 'General case' 1 CA--C 1.644 4.595 0 CA-C-N 123.507 2.867 . . . . 0.0 110.495 167.425 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.6 p -69.45 -68.89 0.37 Allowed 'General case' 1 N--CA 1.641 9.119 0 N-CA-C 121.653 3.946 . . . . 0.0 121.653 168.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.07 133.12 0.01 OUTLIER Glycine 1 CA--C 1.594 4.989 0 CA-C-N 109.409 -3.541 . . . . 0.0 114.257 -175.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.297 2.5 Cg_endo -94.43 42.64 0.2 Allowed 'Trans proline' 0 C--N 1.406 3.568 0 CA-C-N 121.201 2.5 . . . . 0.0 114.792 -173.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.295 8.0 mp -113.57 -67.57 0.99 Allowed 'General case' 1 CA--C 1.688 6.273 1 O-C-N 115.285 -4.634 . . . . 0.0 107.966 -174.604 . . . . . . . . 4 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.613 ' SG ' ' CB ' ' A' ' 30' ' ' CYS 0.363 0.8 OUTLIER -122.15 120.71 28.16 Favored Pre-proline 1 N--CA 1.577 5.918 1 O-C-N 133.082 6.489 . . . . 0.0 103.712 -168.656 . . . . . . . . 6 4 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -84.08 79.61 2.59 Favored 'Trans proline' 0 C--O 1.284 2.798 0 C-N-CA 123.601 2.867 . . . . 0.0 113.0 -161.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.33 67.05 0.99 Allowed 'General case' 1 CA--C 1.682 6.031 0 CA-C-O 126.249 2.928 . . . . 0.0 115.067 -174.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.613 ' CB ' ' SG ' ' A' ' 27' ' ' CYS 0.402 5.4 t -91.38 -5.25 54.77 Favored 'General case' 0 C--N 1.428 3.993 1 CA-C-O 110.614 -4.517 . . . . 0.0 115.999 163.714 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -33.39 71.49 Favored 'General case' 1 N--CA 1.569 5.482 0 O-C-N 128.403 3.564 . . . . 0.0 115.696 169.325 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.314 24.7 pttt -73.92 -39.59 63.71 Favored 'General case' 1 CA--C 1.724 7.661 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 177.029 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.52 -34.15 64.41 Favored 'General case' 0 N--CA 1.532 3.66 0 N-CA-C 119.029 2.974 . . . . 0.0 119.029 168.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.8 m -58.91 -45.95 89.1 Favored 'General case' 2 N--CA 1.587 6.415 0 O-C-N 120.941 -1.099 . . . . 0.0 108.145 167.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -56.79 -40.03 75.18 Favored 'General case' 1 CA--C 1.632 4.098 0 CA-C-O 112.727 -3.511 . . . . 0.0 108.425 -168.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -58.24 -65.78 1.72 Allowed Pre-proline 0 CA--C 1.614 3.436 0 N-CA-C 120.471 3.508 . . . . 0.0 120.471 166.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -69.47 -3.19 11.32 Favored 'Trans proline' 1 C--N 1.44 5.378 1 N-CA-C 123.288 4.303 . . . . 0.0 123.288 176.646 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 CA--C 1.629 3.998 0 O-C-N 117.921 -2.987 . . . . 0.0 110.014 165.536 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.553 7.6 p-90 . . . . . 0 C--O 1.252 1.199 0 CA-C-O 126.773 3.177 . . . . 0.0 118.719 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp -93.88 -39.47 10.68 Favored 'General case' 1 N--CA 1.599 6.992 0 O-C-N 116.64 -3.787 . . . . 0.0 104.194 -173.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.0 tp -59.21 -25.94 31.95 Favored 'Isoleucine or valine' 2 N--CA 1.611 7.582 0 CA-C-N 121.417 1.917 . . . . 0.0 112.118 169.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.21 -66.82 0.49 Allowed 'General case' 0 N--CA 1.415 -2.212 0 C-N-CA 130.802 3.641 . . . . 0.0 118.878 163.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -52.4 -61.96 1.95 Allowed 'General case' 2 C--N 1.478 6.172 1 CA-C-O 109.033 -5.27 . . . . 0.0 113.183 -167.628 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.4 -55.84 32.07 Favored Pre-proline 0 N--CA 1.529 3.508 1 O-C-N 130.206 4.691 . . . . 0.0 110.077 -171.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.363 0.1 OUTLIER -79.77 -54.29 0.04 OUTLIER 'Trans proline' 1 N--CA 1.641 10.16 0 C-N-CA 125.018 3.812 . . . . 0.0 118.416 178.115 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 m -64.02 -59.4 4.52 Favored 'General case' 0 CA--C 1.629 3.998 0 CA-C-N 121.0 1.727 . . . . 0.0 112.937 -171.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -64.14 -38.22 90.29 Favored 'General case' 2 N--CA 1.573 5.706 1 CA-C-O 110.673 -4.489 . . . . 0.0 121.088 175.282 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -52.84 -32.92 47.06 Favored 'General case' 1 N--CA 1.639 8.981 1 O-C-N 133.062 6.476 . . . . 0.0 110.524 167.885 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -64.34 -47.55 78.92 Favored 'General case' 0 C--O 1.261 1.665 0 CA-C-O 112.425 -3.655 . . . . 0.0 111.67 167.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.32 0.0 OUTLIER -62.19 -31.6 72.14 Favored 'General case' 0 C--O 1.186 -2.286 1 N-CA-C 123.603 4.668 . . . . 0.0 123.603 168.39 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -55.81 -36.23 67.21 Favored 'General case' 0 C--O 1.197 -1.682 0 N-CA-C 118.495 2.776 . . . . 0.0 118.495 165.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -25.21 66.95 Favored 'General case' 1 N--CA 1.587 6.387 0 C-N-CA 127.747 2.419 . . . . 0.0 106.363 167.499 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 15.6 m170 -69.22 -27.76 65.77 Favored 'General case' 1 N--CA 1.592 6.662 0 CA-C-O 113.611 -3.09 . . . . 0.0 107.879 168.691 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.577 ' CB ' ' CG ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -51.05 -38.68 48.3 Favored Pre-proline 2 N--CA 1.548 4.454 0 CA-C-N 122.399 2.363 . . . . 0.0 117.198 -177.066 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -47.99 -44.17 28.37 Favored 'Trans proline' 1 CA--C 1.624 4.998 1 C-N-CA 126.702 4.935 . . . . 0.0 109.645 163.025 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 15' ' ' HIS . 2.8 pp -78.37 -32.27 48.86 Favored 'General case' 0 C--N 1.405 2.996 0 CA-C-N 123.044 2.656 . . . . 0.0 112.151 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 55.76 36.75 27.85 Favored 'General case' 0 C--O 1.278 2.569 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 166.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.425 ' H ' HD12 ' A' ' 18' ' ' LEU 0.355 30.1 p90 -111.32 -30.86 7.26 Favored 'General case' 0 C--O 1.268 2.062 0 CA-C-N 122.274 2.306 . . . . 0.0 108.624 179.264 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.3 t -96.67 61.31 1.89 Allowed 'General case' 0 N--CA 1.423 -1.818 1 O-C-N 115.72 -4.363 . . . . 0.0 101.975 167.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.315 0.0 OUTLIER -63.01 -38.32 90.73 Favored 'General case' 0 N--CA 1.524 3.234 0 O-C-N 118.347 -2.721 . . . . 0.0 116.094 162.576 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -81.39 -70.68 0.52 Allowed 'General case' 0 CA--C 1.605 3.087 1 O-C-N 116.226 -4.047 . . . . 0.0 117.33 168.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.82 125.98 0.07 OUTLIER Glycine 0 C--O 1.289 3.557 0 N-CA-C 122.637 3.815 . . . . 0.0 122.637 -174.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -83.4 25.94 0.67 Allowed 'Trans proline' 1 CA--C 1.662 6.89 0 CA-C-O 112.764 -3.098 . . . . 0.0 116.486 -170.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp -102.5 -71.43 0.72 Allowed 'General case' 0 N--CA 1.512 2.633 0 O-C-N 126.152 2.157 . . . . 0.0 113.883 -175.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.603 ' SG ' ' CB ' ' A' ' 30' ' ' CYS 0.446 0.6 OUTLIER -106.61 131.25 21.86 Favored Pre-proline 0 C--N 1.378 1.818 0 C-N-CA 128.521 2.728 . . . . 0.0 103.904 -177.402 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.413 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 40.8 Cg_endo -96.97 85.79 0.08 OUTLIER 'Trans proline' 1 CA--C 1.608 4.212 0 C-N-CA 113.992 -3.538 . . . . 0.0 110.552 -165.741 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 28' ' ' PRO . . . 59.28 57.67 3.33 Favored 'General case' 3 CA--C 1.649 4.773 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 -168.471 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.603 ' CB ' ' SG ' ' A' ' 27' ' ' CYS 0.522 6.0 t -86.86 5.35 37.24 Favored 'General case' 0 C--N 1.271 -2.804 0 CA-C-O 112.418 -3.658 . . . . 0.0 113.017 165.763 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -34.7 55.39 Favored 'General case' 1 N--CA 1.599 6.998 0 CA-C-N 122.422 2.374 . . . . 0.0 109.86 172.803 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.437 38.3 pttt -68.37 -38.42 81.36 Favored 'General case' 0 C--N 1.39 2.369 0 O-C-N 116.578 -3.826 . . . . 0.0 114.351 176.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.5 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.407 . . -54.91 -30.51 58.55 Favored 'General case' 0 C--O 1.261 1.693 1 O-C-N 112.639 -6.288 . . . . 0.0 119.972 167.454 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -62.04 -45.44 93.56 Favored 'General case' 1 CA--C 1.668 5.49 0 CA-C-O 125.451 2.548 . . . . 0.0 114.783 165.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.341 4.9 mp -51.47 -33.57 31.71 Favored 'General case' 0 C--O 1.254 1.312 0 N-CA-C 121.625 3.935 . . . . 0.0 121.625 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -72.98 -57.43 2.98 Favored Pre-proline 0 N--CA 1.537 3.921 0 O-C-N 128.608 3.692 . . . . 0.0 114.78 164.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.5 ' HD2' ' O ' ' A' ' 33' ' ' ALA . 87.7 Cg_endo -68.0 -15.82 44.07 Favored 'Trans proline' 2 CA--C 1.682 7.922 0 CA-C-O 111.319 -3.701 . . . . 0.0 119.39 -178.274 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 . . . . . 1 CA--C 1.636 4.283 1 O-C-N 132.279 5.987 . . . . 0.0 106.541 173.446 . . . . . . . . 2 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.348 6.3 p-90 . . . . . 0 N--CA 1.519 2.993 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.29 -46.98 12.94 Favored 'General case' 0 N--CA 1.511 2.609 0 C-N-CA 128.344 2.658 . . . . 0.0 114.75 -165.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.6 tp -64.36 -23.29 33.05 Favored 'Isoleucine or valine' 0 C--O 1.157 -3.79 0 O-C-N 127.337 2.898 . . . . 0.0 111.932 166.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 t -69.81 -63.78 1.01 Allowed 'General case' 1 N--CA 1.601 7.087 0 C-N-CA 128.997 2.919 . . . . 0.0 108.576 174.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.33 12.6 pt-20 -52.35 -56.24 16.22 Favored 'General case' 0 C--O 1.302 3.829 0 N-CA-C 118.274 2.694 . . . . 0.0 118.274 -174.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 3.8 tp10 -65.02 -60.93 7.0 Favored Pre-proline 1 CA--C 1.652 4.868 1 O-C-N 114.396 -5.19 . . . . 0.0 114.584 -178.111 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD3' ' HB3' ' A' ' 6' ' ' GLU . 49.9 Cg_endo -70.64 -49.46 0.43 Allowed 'Trans proline' 0 CA--C 1.588 3.219 1 C-N-CA 125.696 4.264 . . . . 0.0 120.782 175.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 m -68.31 -51.44 44.72 Favored 'General case' 0 C--N 1.383 2.046 1 N-CA-C 123.389 4.588 . . . . 0.0 123.389 -174.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.452 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 87.2 m -73.57 -39.38 64.7 Favored 'General case' 1 N--CA 1.586 6.368 1 CA-C-N 103.675 -6.148 . . . . 0.0 107.099 -174.233 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.38 34.7 ttt-85 -56.3 -43.64 79.09 Favored 'General case' 0 C--N 1.374 1.639 0 CA-C-N 125.468 3.758 . . . . 0.0 116.87 163.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -50.17 -38.69 40.94 Favored 'General case' 0 CA--C 1.596 2.714 0 O-C-N 126.158 2.161 . . . . 0.0 116.043 163.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 9' ' ' CYS 0.445 1.5 ptp180 -71.29 -36.07 71.55 Favored 'General case' 0 C--O 1.285 2.961 0 CA-C-O 114.643 -2.599 . . . . 0.0 114.911 171.06 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.373 2.9 m -53.45 -40.33 65.13 Favored 'General case' 0 CA--C 1.629 4.0 0 CA-C-N 121.769 2.077 . . . . 0.0 112.682 176.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -33.96 74.52 Favored 'General case' 0 C--O 1.271 2.225 1 CA-C-O 108.743 -5.408 . . . . 0.0 107.79 162.887 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.527 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.323 0.3 OUTLIER -57.69 -30.44 65.48 Favored 'General case' 0 CA--C 1.605 3.091 0 CA-C-N 123.27 2.759 . . . . 0.0 110.728 173.12 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.502 ' C ' ' CA ' ' A' ' 16' ' ' LEU 0.391 4.7 tt -44.99 -48.84 30.42 Favored Pre-proline 1 CA--C 1.745 8.467 0 O-C-N 118.398 -2.689 . . . . 0.0 109.581 -173.588 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -40.72 -52.11 3.33 Favored 'Trans proline' 0 N--CA 1.534 3.894 0 C-N-CA 123.556 2.837 . . . . 0.0 111.384 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 15' ' ' HIS 0.399 4.2 pp -58.8 -49.9 75.95 Favored 'General case' 1 N--CA 1.564 5.23 0 C-N-CA 127.977 2.511 . . . . 0.0 115.37 170.728 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 53.46 47.05 24.94 Favored 'General case' 1 N--CA 1.55 4.529 0 O-C-N 117.824 -3.047 . . . . 0.0 118.848 176.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.535 1.7 p90 -104.16 -45.67 4.65 Favored 'General case' 1 N--CA 1.587 6.416 0 O-C-N 120.257 -1.527 . . . . 0.0 113.037 166.454 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 t -91.2 73.52 6.25 Favored 'General case' 1 N--CA 1.563 5.205 1 N-CA-C 98.731 -4.544 . . . . 0.0 98.731 177.282 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.443 0.0 OUTLIER -91.23 -33.06 15.52 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 127.009 2.693 . . . . 0.0 115.614 170.757 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 p -90.89 -68.87 0.76 Allowed 'General case' 1 CA--C 1.645 4.6 0 CA-C-O 113.33 -3.224 . . . . 0.0 108.363 161.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.97 116.56 0.55 Allowed Glycine 1 C--N 1.447 6.71 2 CA-C-O 109.128 -6.373 . . . . 0.0 119.77 -167.324 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.274 60.7 Cg_endo -65.16 2.77 1.25 Allowed 'Trans proline' 1 N--CA 1.629 9.453 2 CA-C-N 127.829 5.814 . . . . 0.0 126.266 167.973 . . . . . . . . 4 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.26 1.1 mp -88.15 -76.28 0.39 Allowed 'General case' 0 C--N 1.425 3.87 0 CA-C-O 121.856 0.836 . . . . 0.0 112.291 -170.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.762 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 23.3 p -100.04 124.61 42.88 Favored Pre-proline 0 C--O 1.301 3.77 2 O-C-N 130.614 4.946 . . . . 0.0 104.63 -179.836 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -84.86 82.36 1.76 Allowed 'Trans proline' 1 CA--C 1.609 4.243 0 N-CA-C 117.286 1.995 . . . . 0.0 117.286 -178.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 51.25 76.46 0.16 Allowed 'General case' 1 N--CA 1.558 4.945 2 N-CA-C 126.096 5.591 . . . . 0.0 126.096 -156.729 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.762 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 9.6 t -102.74 10.75 38.36 Favored 'General case' 0 CA--C 1.62 3.663 2 O-C-N 132.464 6.103 . . . . 0.0 113.243 176.052 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.05 -37.53 22.0 Favored 'General case' 0 C--N 1.423 3.785 1 O-C-N 131.392 5.432 . . . . 0.0 109.156 175.848 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -74.34 -31.85 62.59 Favored 'General case' 0 C--O 1.198 -1.65 0 CA-C-N 121.768 2.077 . . . . 0.0 114.637 -176.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.332 . . -61.06 -34.61 75.16 Favored 'General case' 0 CA--C 1.6 2.891 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 166.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 m -55.65 -44.69 77.44 Favored 'General case' 1 N--CA 1.597 6.925 0 CA-C-O 123.615 1.674 . . . . 0.0 114.11 165.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -32.1 67.46 Favored 'General case' 0 C--N 1.255 -3.526 0 CA-C-O 112.281 -3.723 . . . . 0.0 111.066 177.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.349 54.4 mt-30 -67.34 -62.53 3.49 Favored Pre-proline 0 CA--C 1.622 3.717 1 CA-C-N 127.881 4.855 . . . . 0.0 111.677 171.553 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.293 8.5 Cg_endo -45.13 -42.32 16.38 Favored 'Trans proline' 1 C--N 1.5 8.541 1 N-CA-C 123.88 4.531 . . . . 0.0 123.88 170.812 . . . . . . . . 4 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.429 14.5 pt-20 . . . . . 2 C--N 1.493 6.83 0 N-CA-C 105.291 -2.115 . . . . 0.0 105.291 -178.655 . . . . . . . . 2 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.486 1.8 p-90 . . . . . 0 CA--C 1.594 2.638 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.94 -48.49 11.42 Favored 'General case' 1 CA--C 1.409 -4.474 0 N-CA-C 121.614 3.931 . . . . 0.0 121.614 -171.475 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 tp -60.92 -34.25 58.85 Favored 'Isoleucine or valine' 1 CA--C 1.657 5.089 0 CA-C-O 124.349 2.023 . . . . 0.0 108.685 170.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 t -50.75 -63.53 1.1 Allowed 'General case' 0 CA--C 1.456 -2.671 2 O-C-N 113.79 -5.569 . . . . 0.0 122.292 168.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.293 11.4 pt-20 -54.24 -52.46 61.26 Favored 'General case' 1 N--CA 1.566 5.363 0 CA-C-N 110.6 -3.0 . . . . 0.0 118.76 -178.519 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 6' ' ' GLU 0.454 0.2 OUTLIER -60.83 -71.38 0.34 Allowed Pre-proline 1 N--CA 1.57 5.575 0 CA-C-O 114.172 -2.823 . . . . 0.0 110.575 179.141 . . . . . . . . 5 4 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.57 -47.04 1.07 Allowed 'Trans proline' 0 N--CA 1.533 3.844 1 C-N-CA 127.974 5.783 . . . . 0.0 120.633 -176.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 m -72.77 -56.29 5.47 Favored 'General case' 2 N--CA 1.584 6.243 0 O-C-N 129.072 3.982 . . . . 0.0 112.798 -170.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.0 m -71.84 -38.97 70.03 Favored 'General case' 1 CA--C 1.698 6.637 0 CA-C-N 111.291 -2.686 . . . . 0.0 115.286 -171.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.278 59.8 ttt-85 -55.08 -43.56 74.04 Favored 'General case' 0 C--O 1.28 2.675 0 CA-C-O 113.491 -3.147 . . . . 0.0 111.963 161.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -49.27 -40.33 33.94 Favored 'General case' 0 C--N 1.385 2.116 0 CA-C-N 120.757 1.617 . . . . 0.0 111.794 163.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.481 1.0 OUTLIER -69.25 -35.21 75.88 Favored 'General case' 0 CA--C 1.458 -2.568 0 N-CA-C 120.157 3.391 . . . . 0.0 120.157 173.177 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.275 4.0 m -57.76 -39.53 77.64 Favored 'General case' 1 C--N 1.462 5.458 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -179.553 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -29.9 42.35 Favored 'General case' 1 N--CA 1.549 4.516 0 O-C-N 127.703 3.127 . . . . 0.0 116.951 159.293 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.421 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.252 36.3 m170 -61.02 -26.09 67.37 Favored 'General case' 3 CA--C 1.67 5.592 0 N-CA-C 103.84 -2.652 . . . . 0.0 103.84 176.881 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.322 7.1 tt -55.51 -32.15 11.81 Favored Pre-proline 2 CA--C 1.648 4.743 0 CA-C-N 121.818 2.099 . . . . 0.0 112.436 -170.419 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.329 2.8 Cg_endo -49.34 -51.51 10.55 Favored 'Trans proline' 2 N--CA 1.601 7.849 0 C-N-CA 124.383 3.389 . . . . 0.0 112.351 172.071 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 15' ' ' HIS 0.32 4.3 pp -59.66 -47.52 85.31 Favored 'General case' 1 N--CA 1.602 7.17 0 O-C-N 126.294 2.246 . . . . 0.0 115.528 170.85 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.343 4.3 tt0 53.79 46.99 24.66 Favored 'General case' 1 CA--C 1.632 4.114 1 N-CA-C 122.118 4.118 . . . . 0.0 122.118 178.933 . . . . . . . . 4 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.352 7.4 p90 -108.88 -50.43 3.01 Favored 'General case' 1 C--O 1.349 6.323 0 O-C-N 120.139 -1.601 . . . . 0.0 110.898 168.004 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.24 68.17 9.78 Favored 'General case' 0 CA--C 1.584 2.274 0 O-C-N 119.43 -2.044 . . . . 0.0 111.249 173.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.29 0.0 OUTLIER -81.55 -28.69 33.77 Favored 'General case' 0 C--N 1.428 3.997 0 CA-C-N 112.583 -2.099 . . . . 0.0 116.517 170.498 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 p -93.94 -73.51 0.57 Allowed 'General case' 1 CA--C 1.68 5.967 0 CA-C-O 112.036 -3.84 . . . . 0.0 103.789 166.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.533 ' C ' ' CA ' ' A' ' 25' ' ' PRO . . . 84.3 121.83 0.94 Allowed Glycine 1 N--CA 1.579 8.216 1 CA-C-O 109.604 -6.109 . . . . 0.0 118.642 -166.712 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 1.44 ' CA ' ' N ' ' A' ' 25' ' ' PRO . 13.1 Cg_endo -74.6 6.07 3.43 Favored 'Trans proline' 2 N--CA 1.681 12.5 1 CA-C-N 126.143 4.971 . . . . 0.0 117.666 173.303 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.252 4.9 mp -87.09 -81.52 0.23 Allowed 'General case' 0 N--CA 1.52 3.052 0 CA-C-O 127.083 3.325 . . . . 0.0 111.604 -172.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.685 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 29.3 p -104.38 122.12 44.99 Favored Pre-proline 0 N--CA 1.389 -3.486 1 CA-C-O 131.999 5.666 . . . . 0.0 103.855 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -79.62 77.15 4.19 Favored 'Trans proline' 2 N--CA 1.588 7.033 1 O-C-N 112.245 -4.661 . . . . 0.0 119.469 -178.538 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 57.04 74.43 0.41 Allowed 'General case' 0 CA--C 1.606 3.104 0 CA-C-N 111.474 -2.603 . . . . 0.0 116.06 -161.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.685 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 9.9 t -98.3 3.34 48.71 Favored 'General case' 0 C--O 1.263 1.788 0 C-N-CA 128.916 2.887 . . . . 0.0 116.664 168.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -44.15 48.26 Favored 'General case' 2 N--CA 1.574 5.754 0 CA-C-O 113.361 -3.209 . . . . 0.0 110.236 169.331 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 35' ' ' LEU . 30.7 pttt -64.54 -30.45 71.48 Favored 'General case' 1 N--CA 1.551 4.577 0 CA-C-N 125.37 3.714 . . . . 0.0 120.75 176.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.426 ' O ' ' CD ' ' A' ' 37' ' ' PRO 0.385 . . -61.38 -32.81 72.74 Favored 'General case' 0 C--O 1.26 1.64 0 N-CA-C 118.911 2.93 . . . . 0.0 118.911 164.847 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -53.39 -49.3 67.53 Favored 'General case' 2 N--CA 1.593 6.689 0 CA-C-O 125.358 2.504 . . . . 0.0 112.858 166.476 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 32' ' ' LYS 0.269 0.6 OUTLIER -48.53 -47.25 39.29 Favored 'General case' 0 C--N 1.392 2.451 0 C-N-CA 130.178 3.391 . . . . 0.0 113.708 172.189 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -68.14 -61.88 3.68 Favored Pre-proline 1 CA--C 1.67 5.564 1 CA-C-O 111.382 -4.152 . . . . 0.0 105.648 -179.455 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.426 ' CD ' ' O ' ' A' ' 33' ' ' ALA 0.276 0.9 OUTLIER -50.93 -40.22 58.39 Favored 'Trans proline' 1 CA--C 1.63 5.322 1 C-N-CA 127.586 5.524 . . . . 0.0 119.877 172.594 . . . . . . . . 6 4 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.288 14.0 pt-20 . . . . . 1 N--CA 1.591 6.578 0 CA-C-N 125.521 3.782 . . . . 0.0 112.302 177.328 . . . . . . . . 2 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.469 2.5 p-90 . . . . . 0 CA--C 1.587 2.403 0 CA-C-O 123.807 1.765 . . . . 0.0 110.076 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.68 -46.23 12.54 Favored 'General case' 1 CA--C 1.641 4.474 0 N-CA-C 120.119 3.377 . . . . 0.0 120.119 -166.359 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.319 5.0 tp -61.65 -29.18 45.61 Favored 'Isoleucine or valine' 1 CA--C 1.716 7.328 1 O-C-N 129.217 4.073 . . . . 0.0 111.042 166.434 . . . . . . . . 4 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -69.38 -55.31 10.74 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 110.139 -3.209 . . . . 0.0 115.161 176.524 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 8.7 pt-20 -55.32 -53.19 59.28 Favored 'General case' 1 C--O 1.31 4.246 0 O-C-N 126.401 2.313 . . . . 0.0 112.824 -175.029 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.444 0.0 OUTLIER -65.08 -56.51 19.97 Favored Pre-proline 1 N--CA 1.573 5.709 0 CA-C-N 124.78 3.446 . . . . 0.0 114.868 -179.18 . . . . . . . . 4 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -83.79 -43.4 0.07 OUTLIER 'Trans proline' 1 C--N 1.467 6.787 0 O-C-N 115.602 -2.894 . . . . 0.0 116.675 -177.855 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m -73.76 -52.16 14.07 Favored 'General case' 0 CA--C 1.584 2.287 1 CA-C-O 129.189 4.328 . . . . 0.0 114.928 -166.86 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.497 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.483 84.2 m -66.86 -50.95 60.9 Favored 'General case' 0 C--O 1.288 3.081 1 CA-C-N 108.325 -4.034 . . . . 0.0 113.471 179.832 . . . . . . . . 4 3 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.268 73.6 ttt-85 -59.18 -41.08 87.6 Favored 'General case' 1 N--CA 1.633 8.694 0 CA-C-O 112.01 -3.852 . . . . 0.0 104.873 174.465 . . . . . . . . 3 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -54.6 -33.38 60.29 Favored 'General case' 1 C--N 1.439 4.477 0 CA-C-N 125.558 3.799 . . . . 0.0 108.459 167.085 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.497 ' HG2' ' HA ' ' A' ' 9' ' ' CYS 0.411 2.0 ptp180 -72.25 -35.46 68.8 Favored 'General case' 1 C--O 1.309 4.223 0 CA-C-N 125.006 3.548 . . . . 0.0 112.7 169.5 . . . . . . . . 4 3 . 1 . 021 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.278 5.6 m -62.14 -41.77 98.6 Favored 'General case' 0 N--CA 1.518 2.961 0 CA-C-N 122.563 2.438 . . . . 0.0 112.142 -177.577 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.393 0.5 OUTLIER -50.07 -31.56 13.44 Favored 'General case' 1 C--O 1.31 4.27 0 O-C-N 125.863 1.977 . . . . 0.0 115.482 160.303 . . . . . . . . 4 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.508 17.1 m170 -57.73 -34.7 69.78 Favored 'General case' 0 C--O 1.259 1.577 0 C-N-CA 128.285 2.634 . . . . 0.0 109.035 168.49 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.587 8.5 tt -42.43 -42.54 6.81 Favored Pre-proline 2 N--CA 1.56 5.04 0 O-C-N 116.956 -3.59 . . . . 0.0 115.101 -176.837 . . . . . . . . 3 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.422 1.9 Cg_endo -46.55 -53.4 6.11 Favored 'Trans proline' 1 N--CA 1.585 6.873 0 C-N-CA 124.204 3.269 . . . . 0.0 114.537 172.755 . . . . . . . . 3 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.357 4.7 pp -57.72 -50.07 74.45 Favored 'General case' 1 C--N 1.46 5.407 0 N-CA-C 118.322 2.712 . . . . 0.0 118.322 169.767 . . . . . . . . 3 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.25 5.5 tt0 52.16 58.12 5.76 Favored 'General case' 1 CA--C 1.683 6.071 0 N-CA-C 121.563 3.912 . . . . 0.0 121.563 -177.717 . . . . . . . . 3 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.289 4.5 p90 -114.35 -57.37 2.28 Favored 'General case' 0 CA--C 1.605 3.094 0 N-CA-C 105.729 -1.952 . . . . 0.0 105.729 164.404 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.07 56.84 0.79 Allowed 'General case' 1 C--N 1.441 4.575 0 C-N-CA 116.499 -2.08 . . . . 0.0 116.468 173.862 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.301 0.0 OUTLIER -70.48 -31.44 68.57 Favored 'General case' 2 N--CA 1.608 7.468 0 C-N-CA 127.647 2.379 . . . . 0.0 116.102 167.821 . . . . . . . . 4 3 . 1 . 021 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -97.3 -66.38 0.91 Allowed 'General case' 0 CA--C 1.619 3.633 0 CA-C-N 112.256 -2.247 . . . . 0.0 106.762 171.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.94 127.53 0.52 Allowed Glycine 2 N--CA 1.642 12.368 0 CA-C-O 115.526 -2.819 . . . . 0.0 116.018 -176.154 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -84.65 11.81 3.25 Favored 'Trans proline' 1 CA--C 1.653 6.426 2 CA-C-N 126.761 5.28 . . . . 0.0 123.316 176.897 . . . . . . . . 3 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mp -96.91 -78.69 0.47 Allowed 'General case' 1 CA--C 1.679 5.92 0 O-C-N 116.665 -3.772 . . . . 0.0 108.496 -171.646 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.522 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 24.2 p -99.41 125.44 41.11 Favored Pre-proline 1 N--CA 1.541 4.092 0 CA-C-O 125.222 2.439 . . . . 0.0 108.061 173.771 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -78.85 79.52 3.35 Favored 'Trans proline' 1 N--CA 1.555 5.104 0 N-CA-C 116.453 1.674 . . . . 0.0 116.453 -178.426 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 57.71 83.5 0.11 Allowed 'General case' 1 CA--C 1.694 6.484 0 C-N-CA 129.057 2.943 . . . . 0.0 109.751 -168.794 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.522 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.33 7.1 t -111.62 3.03 17.62 Favored 'General case' 0 N--CA 1.534 3.743 0 CA-C-N 110.119 -3.218 . . . . 0.0 113.415 172.701 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -38.15 69.79 Favored 'General case' 0 N--CA 1.517 2.884 0 N-CA-C 119.472 3.138 . . . . 0.0 119.472 161.152 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.486 ' HA ' ' HB2' ' A' ' 35' ' ' LEU . 26.6 pttt -56.74 -35.23 68.36 Favored 'General case' 1 N--CA 1.612 7.66 1 N-CA-C 123.418 4.599 . . . . 0.0 123.418 165.061 . . . . . . . . 4 3 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.16 76.63 Favored 'General case' 2 N--CA 1.546 4.351 0 CA-C-O 114.446 -2.692 . . . . 0.0 115.327 167.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -34.8 77.99 Favored 'General case' 1 CA--C 1.631 4.068 0 O-C-N 127.203 2.814 . . . . 0.0 116.303 171.686 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 32' ' ' LYS 0.262 0.6 OUTLIER -48.92 -54.25 16.26 Favored 'General case' 0 C--N 1.41 3.226 1 O-C-N 130.355 4.784 . . . . 0.0 117.106 163.109 . . . . . . . . 5 4 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.255 53.2 mt-30 -62.32 -61.93 6.71 Favored Pre-proline 2 CA--C 1.645 4.617 1 CA-C-O 111.026 -4.321 . . . . 0.0 106.652 179.843 . . . . . . . . 4 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -48.05 -42.82 31.84 Favored 'Trans proline' 0 C--O 1.178 -2.493 3 N-CA-C 124.915 4.929 . . . . 0.0 124.915 169.414 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.297 10.9 pt-20 . . . . . 1 C--O 1.306 4.045 2 O-C-N 111.102 -7.248 . . . . 0.0 120.154 179.637 . . . . . . . . 3 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.62 65.7 p-90 . . . . . 1 C--O 1.316 4.587 0 N-CA-C 118.11 2.633 . . . . 0.0 118.11 . . . . . . . . . 2 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.4 mp -91.83 -45.99 8.1 Favored 'General case' 1 CA--C 1.713 7.236 0 CA-C-O 123.022 1.392 . . . . 0.0 112.81 -162.429 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.1 tp -73.24 -25.58 21.66 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.296 0 CA-C-N 111.8 -2.455 . . . . 0.0 110.303 168.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 t -66.37 -65.39 0.68 Allowed 'General case' 0 N--CA 1.401 -2.89 0 N-CA-C 118.105 2.632 . . . . 0.0 118.105 171.781 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.252 6.5 pt-20 -33.79 -61.66 0.33 Allowed 'General case' 1 N--CA 1.621 8.123 0 N-CA-C 117.022 2.23 . . . . 0.0 117.022 -174.727 . . . . . . . . 3 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.61 -51.94 37.78 Favored Pre-proline 1 N--CA 1.553 4.706 0 O-C-N 119.433 -2.042 . . . . 0.0 116.0 177.479 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.353 60.6 Cg_endo -76.07 -62.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.526 3.416 0 N-CA-C 121.545 3.633 . . . . 0.0 121.545 -174.59 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.3 m -76.31 -46.06 29.48 Favored 'General case' 1 N--CA 1.579 6.02 1 O-C-N 113.63 -5.669 . . . . 0.0 111.55 -176.214 . . . . . . . . 3 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.33 81.3 m -56.67 -32.07 65.05 Favored 'General case' 0 N--CA 1.534 3.741 1 O-C-N 130.708 5.005 . . . . 0.0 117.574 175.591 . . . . . . . . 3 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.3 ttt-85 -71.21 -61.94 1.58 Allowed 'General case' 0 C--O 1.282 2.808 0 C-N-CA 127.949 2.499 . . . . 0.0 106.372 171.062 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -44.09 -39.92 4.56 Favored 'General case' 2 C--N 1.453 5.067 1 C-N-CA 109.011 -5.076 . . . . 0.0 121.604 163.091 . . . . . . . . 3 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER -58.48 -40.1 81.8 Favored 'General case' 0 C--O 1.266 1.97 0 N-CA-C 119.468 3.136 . . . . 0.0 119.468 171.364 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.2 m -48.24 -40.3 24.14 Favored 'General case' 1 N--CA 1.544 4.274 1 N-CA-C 122.785 4.365 . . . . 0.0 122.785 167.369 . . . . . . . . 3 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.39 -28.43 19.63 Favored 'General case' 1 N--CA 1.583 6.181 0 N-CA-C 120.641 3.571 . . . . 0.0 120.641 162.355 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.386 12.4 m170 -54.46 -32.26 57.28 Favored 'General case' 0 CA--C 1.599 2.836 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 166.49 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.19 -49.74 83.07 Favored Pre-proline 0 N--CA 1.53 3.562 0 CA-C-O 112.178 -3.772 . . . . 0.0 117.435 -170.227 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -44.89 -38.32 13.05 Favored 'Trans proline' 0 C--N 1.403 3.433 1 CA-C-N 131.21 5.039 . . . . 0.0 114.828 162.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.484 0.3 OUTLIER -63.1 -54.5 36.92 Favored 'General case' 2 CA--C 1.677 5.834 0 CA-C-O 112.824 -3.465 . . . . 0.0 113.379 171.813 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 69.25 64.75 0.28 Allowed 'General case' 0 CA--C 1.626 3.884 0 O-C-N 127.143 2.777 . . . . 0.0 113.277 170.256 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -129.96 -27.22 2.31 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 111.763 -3.97 . . . . 0.0 120.571 160.783 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.5 t -98.34 47.34 0.99 Allowed 'General case' 1 C--N 1.455 5.174 0 CA-C-N 124.65 3.386 . . . . 0.0 108.053 158.086 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER -54.09 -41.4 68.19 Favored 'General case' 2 CA--C 1.655 4.987 0 O-C-N 124.981 1.426 . . . . 0.0 113.05 172.235 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.15 -35.81 19.92 Favored 'General case' 0 N--CA 1.491 1.576 1 N-CA-C 126.356 5.687 . . . . 0.0 126.356 171.637 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.78 104.33 0.71 Allowed Glycine 1 N--CA 1.521 4.343 0 N-CA-C 121.547 3.379 . . . . 0.0 121.547 176.832 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -79.39 -21.64 8.76 Favored 'Trans proline' 1 CA--C 1.616 4.621 0 N-CA-C 120.104 3.078 . . . . 0.0 120.104 171.209 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.276 0.3 OUTLIER -78.68 -50.75 10.91 Favored 'General case' 0 C--N 1.389 2.285 1 CA-C-O 108.106 -5.711 . . . . 0.0 115.654 172.115 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.582 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 27.7 p -130.47 98.6 20.11 Favored Pre-proline 0 C--N 1.428 3.996 0 CA-C-N 125.132 3.606 . . . . 0.0 101.738 169.056 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 1.439 ' CB ' ' CG ' ' A' ' 28' ' ' PRO . 60.2 Cg_endo -83.75 145.48 11.51 Favored 'Trans proline' 2 C--N 1.44 5.362 0 N-CA-C 109.676 -0.932 . . . . 0.0 109.676 -170.185 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 49.46 30.24 3.29 Favored 'General case' 1 CA--C 1.642 4.511 0 CA-C-O 113.495 -3.145 . . . . 0.0 117.832 -167.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . 0.262 3.7 t -71.98 -18.44 61.99 Favored 'General case' 2 CA--C 1.683 6.074 1 N-CA-C 125.509 5.374 . . . . 0.0 125.509 163.331 . . . . . . . . 4 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.444 ' O ' ' HB ' ' A' ' 34' ' ' THR . 2.3 ttt -70.27 -55.12 10.01 Favored 'General case' 2 N--CA 1.592 6.647 0 CA-C-O 114.078 -2.868 . . . . 0.0 107.406 -178.758 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -45.1 -45.3 11.09 Favored 'General case' 1 N--CA 1.541 4.097 0 O-C-N 126.293 2.246 . . . . 0.0 116.491 -178.888 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.429 ' O ' ' HD2' ' A' ' 37' ' ' PRO . . . -69.14 -26.79 65.06 Favored 'General case' 1 N--CA 1.555 4.776 1 N-CA-C 122.656 4.317 . . . . 0.0 122.656 173.978 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' A' ' 31' ' ' MET 0.329 60.1 m -47.96 -44.21 30.1 Favored 'General case' 1 CA--C 1.739 8.243 0 O-C-N 127.365 2.916 . . . . 0.0 109.007 171.745 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.404 1.1 mt -64.21 -28.21 69.59 Favored 'General case' 0 C--N 1.383 2.035 0 CA-C-N 109.633 -3.439 . . . . 0.0 114.144 -170.7 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -66.0 -60.38 7.18 Favored Pre-proline 0 CA--C 1.607 3.168 1 CA-C-O 108.059 -5.734 . . . . 0.0 107.567 173.301 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HD2' ' O ' ' A' ' 33' ' ' ALA . 10.6 Cg_endo -77.52 -26.57 7.06 Favored 'Trans proline' 0 CA--C 1.588 3.182 0 CA-C-N 124.975 2.812 . . . . 0.0 119.392 -175.05 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.294 5.3 pt-20 . . . . . 0 CA--C 1.573 1.853 0 CA-C-N 119.52 1.055 . . . . 0.0 110.237 -171.791 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.574 68.7 p-90 . . . . . 0 N--CA 1.52 3.052 1 N-CA-C 122.353 4.205 . . . . 0.0 122.353 . . . . . . . . . 2 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.8 mp -83.3 -58.9 2.64 Favored 'General case' 1 CA--C 1.736 8.109 1 O-C-N 129.709 4.381 . . . . 0.0 113.547 -164.964 . . . . . . . . 3 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.32 5.7 tp -61.66 -24.37 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.2 0 CA-C-N 111.462 -2.608 . . . . 0.0 112.078 163.413 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.8 t -77.23 -54.15 6.85 Favored 'General case' 0 N--CA 1.528 3.452 0 O-C-N 118.076 -2.89 . . . . 0.0 117.713 175.224 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 9' ' ' CYS 0.306 2.4 pt-20 -43.94 -62.13 1.22 Allowed 'General case' 1 CA--C 1.63 4.058 0 C-N-CA 125.313 1.445 . . . . 0.0 113.785 -169.896 . . . . . . . . 4 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.414 2.2 tp10 -59.02 -57.86 23.91 Favored Pre-proline 1 CA--C 1.63 4.041 0 O-C-N 126.854 2.596 . . . . 0.0 112.09 178.543 . . . . . . . . 3 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.324 58.2 Cg_endo -76.61 -64.16 0.03 OUTLIER 'Trans proline' 1 N--CA 1.56 5.425 1 N-CA-C 122.589 4.034 . . . . 0.0 122.589 -174.212 . . . . . . . . 4 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.282 51.8 m -73.21 -38.93 65.91 Favored 'General case' 0 CA--C 1.598 2.79 1 O-C-N 115.19 -4.694 . . . . 0.0 114.804 -172.531 . . . . . . . . 3 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.486 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.287 81.1 m -66.68 -33.72 76.28 Favored 'General case' 1 C--N 1.453 5.085 0 C-N-CA 129.242 3.017 . . . . 0.0 110.989 -177.117 . . . . . . . . 4 3 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.8 ttt-85 -66.37 -53.45 35.9 Favored 'General case' 0 N--CA 1.518 2.929 0 O-C-N 126.099 2.125 . . . . 0.0 112.242 166.627 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -52.67 -45.96 67.0 Favored 'General case' 0 CA--C 1.586 2.338 0 CA-C-N 122.561 2.437 . . . . 0.0 106.099 166.393 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HG2' ' HA ' ' A' ' 9' ' ' CYS 0.43 0.0 OUTLIER -52.33 -48.13 65.64 Favored 'General case' 0 C--N 1.389 2.285 0 N-CA-C 119.934 3.309 . . . . 0.0 119.934 176.126 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.3 m -49.61 -34.71 18.76 Favored 'General case' 2 N--CA 1.613 7.724 0 O-C-N 117.609 -3.182 . . . . 0.0 115.295 175.813 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -59.37 -38.31 80.15 Favored 'General case' 2 CA--C 1.65 4.802 0 O-C-N 127.219 2.825 . . . . 0.0 110.72 172.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.417 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.454 0.2 OUTLIER -41.37 -28.25 0.11 Allowed 'General case' 1 CA--C 1.662 5.25 0 O-C-N 119.684 -1.885 . . . . 0.0 114.865 167.596 . . . . . . . . 5 4 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.264 1.4 tt -59.55 -55.61 44.15 Favored Pre-proline 1 N--CA 1.555 4.786 1 CA-C-O 108.523 -5.513 . . . . 0.0 113.372 -164.983 . . . . . . . . 4 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -47.1 -37.39 23.01 Favored 'Trans proline' 1 CA--C 1.626 5.111 1 CA-C-O 110.379 -4.092 . . . . 0.0 109.662 169.99 . . . . . . . . 3 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 15' ' ' HIS 0.597 3.9 pp -59.69 -54.35 47.39 Favored 'General case' 1 N--CA 1.572 5.635 1 N-CA-C 122.572 4.286 . . . . 0.0 122.572 167.375 . . . . . . . . 5 3 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.328 13.6 tt0 69.53 62.05 0.28 Allowed 'General case' 0 C--O 1.26 1.632 0 N-CA-C 118.863 2.912 . . . . 0.0 118.863 170.647 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.295 16.5 p90 -126.05 -36.22 2.37 Favored 'General case' 0 N--CA 1.527 3.398 1 N-CA-C 123.556 4.65 . . . . 0.0 123.556 166.502 . . . . . . . . 3 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.4 t -105.41 49.88 0.79 Allowed 'General case' 0 N--CA 1.534 3.733 0 CA-C-O 127.547 3.546 . . . . 0.0 107.976 164.211 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -39.85 88.96 Favored 'General case' 0 C--N 1.412 3.286 1 O-C-N 115.486 -4.509 . . . . 0.0 110.246 170.52 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.428 3.0 p -79.79 -53.12 7.09 Favored 'General case' 0 CA--C 1.607 3.157 0 N-CA-C 121.645 3.943 . . . . 0.0 121.645 170.751 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.32 110.08 2.92 Favored Glycine 1 CA--C 1.587 4.533 0 O-C-N 127.634 3.084 . . . . 0.0 115.4 176.481 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.251 82.1 Cg_endo -82.81 -31.76 0.7 Allowed 'Trans proline' 1 CA--C 1.613 4.428 0 CA-C-N 121.741 2.77 . . . . 0.0 119.113 168.982 . . . . . . . . 3 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.91 -69.05 0.39 Allowed 'General case' 0 C--N 1.287 -2.109 1 CA-C-O 109.814 -4.898 . . . . 0.0 105.627 175.927 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.504 ' O ' ' SG ' ' A' ' 27' ' ' CYS 0.254 32.1 p -107.92 91.84 8.26 Favored Pre-proline 2 N--CA 1.6 7.042 2 CA-C-O 107.689 -5.91 . . . . 0.0 106.799 173.543 . . . . . . . . 5 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -74.97 145.8 31.99 Favored 'Trans proline' 1 N--CA 1.564 5.676 0 CA-C-N 128.28 3.993 . . . . 0.0 109.324 -175.634 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 53.53 26.46 5.63 Favored 'General case' 1 CA--C 1.647 4.684 1 N-CA-C 121.831 4.012 . . . . 0.0 121.831 -174.391 . . . . . . . . 3 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.9 t -80.08 -14.15 58.74 Favored 'General case' 0 C--N 1.423 3.78 1 CA-C-O 110.25 -4.691 . . . . 0.0 116.778 171.811 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ttt -77.29 -53.17 8.03 Favored 'General case' 1 CA--C 1.682 6.024 2 CA-C-N 134.66 7.936 . . . . 0.0 106.986 -173.187 . . . . . . . . 3 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -44.07 -44.87 7.75 Favored 'General case' 0 C--N 1.393 2.466 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.312 . . -59.34 -48.09 82.94 Favored 'General case' 1 N--CA 1.602 7.161 0 CA-C-O 112.184 -3.769 . . . . 0.0 113.138 174.9 . . . . . . . . 3 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -32.61 -49.55 0.22 Allowed 'General case' 1 CA--C 1.704 6.898 1 O-C-N 129.372 4.17 . . . . 0.0 114.214 169.652 . . . . . . . . 3 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.473 1.1 mt -60.33 -38.35 83.47 Favored 'General case' 0 CA--C 1.446 -3.041 0 C-N-CA 129.435 3.094 . . . . 0.0 114.922 -172.145 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.633 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 2.0 mt-30 -60.19 -63.27 4.46 Favored Pre-proline 1 N--CA 1.541 4.106 1 CA-C-O 108.372 -5.585 . . . . 0.0 112.145 170.362 . . . . . . . . 4 3 . 1 . 023 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.633 ' HD3' ' HB2' ' A' ' 36' ' ' GLN 0.291 18.5 Cg_endo -64.39 -35.66 48.81 Favored 'Trans proline' 0 C--O 1.306 3.877 2 C-N-CA 129.157 6.571 . . . . 0.0 121.259 178.547 . . . . . . . . 4 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.42 5.0 pt-20 . . . . . 0 C--N 1.413 3.332 0 O-C-N 126.901 2.626 . . . . 0.0 107.36 -167.876 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.47 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 53.3 p-90 . . . . . 0 C--O 1.257 1.486 1 CA-C-O 109.615 -4.993 . . . . 0.0 113.479 . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -54.23 -58.13 8.56 Favored 'General case' 1 CA--C 1.632 4.102 0 O-C-N 127.906 3.254 . . . . 0.0 111.522 -175.433 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.334 2.0 tp -54.17 -48.14 66.36 Favored 'Isoleucine or valine' 1 CA--C 1.68 5.956 0 CA-C-O 116.879 -1.534 . . . . 0.0 112.882 167.679 . . . . . . . . 3 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.279 7.2 t -62.7 -50.63 70.38 Favored 'General case' 0 C--N 1.383 2.041 2 O-C-N 135.26 7.85 . . . . 0.0 119.38 -169.141 . . . . . . . . 3 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.312 0.6 OUTLIER -41.69 -63.46 0.71 Allowed 'General case' 1 C--N 1.443 4.669 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -170.28 . . . . . . . . 4 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.293 12.4 tp10 -62.99 -53.04 58.79 Favored Pre-proline 1 N--CA 1.58 6.058 1 CA-C-O 110.326 -4.654 . . . . 0.0 109.55 -168.455 . . . . . . . . 4 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -70.09 -52.14 0.32 Allowed 'Trans proline' 1 N--CA 1.588 7.051 2 CA-C-N 131.533 5.155 . . . . 0.0 125.023 178.725 . . . . . . . . 3 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 m -73.1 -63.7 1.12 Allowed 'General case' 1 CA--C 1.7 6.741 1 O-C-N 115.696 -4.377 . . . . 0.0 112.452 -173.48 . . . . . . . . 3 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.432 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.422 80.7 m -45.38 -35.36 3.57 Favored 'General case' 1 C--O 1.329 5.278 0 O-C-N 128.482 3.614 . . . . 0.0 115.104 -176.657 . . . . . . . . 4 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.262 4.2 ttt180 -67.54 -52.97 32.58 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-O 115.005 -2.426 . . . . 0.0 107.665 175.613 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.604 62.6 m-20 -54.12 -49.96 67.97 Favored 'General case' 3 C--O 1.323 4.962 0 CA-C-O 111.763 -3.97 . . . . 0.0 113.202 166.163 . . . . . . . . 3 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.258 2.2 ptp180 -56.37 -37.71 70.44 Favored 'General case' 1 CA--C 1.634 4.178 0 O-C-N 129.072 3.983 . . . . 0.0 109.918 177.033 . . . . . . . . 4 3 . 1 . 024 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.399 4.9 m -40.89 -33.54 0.31 Allowed 'General case' 1 N--CA 1.54 4.031 0 N-CA-C 120.937 3.681 . . . . 0.0 120.937 167.629 . . . . . . . . 3 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.331 3.6 mpt_? -64.1 -27.45 69.1 Favored 'General case' 2 CA--C 1.665 5.399 0 O-C-N 116.994 -3.566 . . . . 0.0 111.558 171.636 . . . . . . . . 3 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 26.6 m170 -65.07 -34.3 78.09 Favored 'General case' 0 C--O 1.275 2.429 1 CA-C-O 111.065 -4.302 . . . . 0.0 109.524 165.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.313 5.7 tt -47.58 -42.4 43.25 Favored Pre-proline 0 N--CA 1.529 3.522 1 N-CA-C 121.824 4.009 . . . . 0.0 121.824 -165.927 . . . . . . . . 3 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -45.87 -45.33 17.32 Favored 'Trans proline' 1 N--CA 1.589 7.146 0 C-N-CA 124.716 3.611 . . . . 0.0 117.83 163.294 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 19' ' ' GLN . 3.4 pp -71.01 -32.12 68.82 Favored 'General case' 2 N--CA 1.548 4.455 0 O-C-N 116.673 -3.767 . . . . 0.0 116.259 175.356 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.502 ' N ' HD12 ' A' ' 18' ' ' LEU 0.626 3.8 tt0 61.71 62.2 1.32 Allowed 'General case' 0 CA--C 1.601 2.906 1 O-C-N 114.332 -5.23 . . . . 0.0 116.221 169.995 . . . . . . . . 4 3 . 1 . 024 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.53 -42.31 1.65 Allowed 'General case' 1 C--O 1.315 4.528 0 O-C-N 125.193 1.558 . . . . 0.0 112.986 165.237 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.306 0.3 OUTLIER -108.13 65.6 0.64 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 118.005 -2.934 . . . . 0.0 108.754 172.222 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.781 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -72.45 -55.07 7.6 Favored 'General case' 0 CA--C 1.575 1.925 0 N-CA-C 118.772 2.879 . . . . 0.0 118.772 168.646 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 p -77.82 -26.66 49.65 Favored 'General case' 1 CA--C 1.669 5.525 0 CA-C-N 110.811 -2.904 . . . . 0.0 115.954 162.362 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.91 101.07 0.04 OUTLIER Glycine 1 CA--C 1.602 5.483 0 CA-C-O 118.984 -0.898 . . . . 0.0 115.041 172.468 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.357 7.2 Cg_endo -62.62 -5.34 6.98 Favored 'Trans proline' 0 C--N 1.379 2.15 2 CA-C-N 126.907 5.353 . . . . 0.0 125.236 -170.879 . . . . . . . . 3 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.278 1.1 mp -104.75 -35.5 7.75 Favored 'General case' 1 CA--C 1.673 5.708 0 CA-C-O 115.241 -2.314 . . . . 0.0 112.679 -178.817 . . . . . . . . 3 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 15.3 p -123.04 104.61 35.34 Favored Pre-proline 1 CA--C 1.737 8.154 0 CA-C-O 124.992 2.329 . . . . 0.0 104.75 169.274 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -92.42 90.29 0.19 Allowed 'Trans proline' 0 CA--C 1.591 3.348 1 CA-C-O 131.774 4.822 . . . . 0.0 110.651 -171.634 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 87.56 55.16 0.01 OUTLIER 'General case' 1 N--CA 1.543 4.213 1 CA-C-N 105.624 -5.262 . . . . 0.0 112.801 -175.083 . . . . . . . . 3 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.588 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.448 37.1 t -97.7 -11.53 23.38 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 119.492 3.145 . . . . 0.0 119.492 167.226 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.303 2.5 ttp -76.05 -14.55 60.21 Favored 'General case' 0 C--N 1.398 2.681 1 O-C-N 116.276 -4.015 . . . . 0.0 120.084 -178.02 . . . . . . . . 3 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.526 ' C ' ' CA ' ' A' ' 33' ' ' ALA . 4.1 pttt -79.04 -35.13 43.14 Favored 'General case' 0 C--N 1.381 1.967 0 C-N-CA 124.684 1.194 . . . . 0.0 111.958 174.873 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 1.551 ' N ' ' CA ' ' A' ' 33' ' ' ALA 0.376 . . -69.67 -36.79 76.33 Favored 'General case' 1 N--CA 1.694 11.757 0 O-C-N 118.75 -2.469 . . . . 0.0 108.669 174.052 . . . . . . . . 4 3 . 1 . 024 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 m -43.36 -39.65 3.26 Favored 'General case' 0 C--O 1.188 -2.145 0 N-CA-C 120.817 3.636 . . . . 0.0 120.817 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mp -67.12 -39.38 86.63 Favored 'General case' 0 CA--C 1.612 3.363 1 CA-C-O 111.647 -4.025 . . . . 0.0 115.02 176.281 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.298 7.3 mt-30 -64.07 -64.56 2.72 Favored Pre-proline 0 CA--C 1.602 2.944 2 CA-C-O 109.083 -5.246 . . . . 0.0 110.652 -175.232 . . . . . . . . 3 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -74.42 -15.34 22.34 Favored 'Trans proline' 0 C--O 1.286 2.905 0 CA-C-N 126.383 3.315 . . . . 0.0 115.193 166.401 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.319 0.2 OUTLIER . . . . . 0 N--CA 1.523 3.197 2 CA-C-N 129.673 5.669 . . . . 0.0 113.085 168.496 . . . . . . . . 3 2 . 1 . 025 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.667 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 61.0 p-90 . . . . . 0 N--CA 1.494 1.746 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.365 1.4 mp -50.02 -48.01 52.82 Favored 'General case' 1 C--N 1.466 5.655 1 N-CA-C 121.848 4.018 . . . . 0.0 121.848 177.954 . . . . . . . . 4 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 tp -71.96 -35.84 55.59 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.983 0 C-N-CA 125.455 1.502 . . . . 0.0 112.165 165.737 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.274 13.2 t -67.53 -53.48 28.14 Favored 'General case' 0 C--N 1.424 3.817 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.996 -169.9 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.34 -67.91 0.18 Allowed 'General case' 2 C--N 1.497 6.986 0 CA-C-O 123.564 1.649 . . . . 0.0 114.107 -165.227 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.266 14.2 tp10 -55.35 -53.54 60.86 Favored Pre-proline 0 N--CA 1.531 3.587 0 CA-C-O 112.416 -3.659 . . . . 0.0 119.445 -172.264 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 1.503 ' CA ' ' C ' ' A' ' 7' ' ' PRO . 20.0 Cg_endo -71.67 -55.13 0.13 Allowed 'Trans proline' 2 CA--C 1.77 12.309 1 CA-C-N 133.226 5.759 . . . . 0.0 115.372 177.529 . . . . . . . . 4 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.452 ' N ' ' CA ' ' A' ' 7' ' ' PRO . 2.4 m -71.24 -57.14 4.77 Favored 'General case' 0 CA--C 1.609 3.227 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -171.596 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.498 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.286 77.8 m -55.71 -33.76 64.49 Favored 'General case' 0 CA--C 1.625 3.828 0 N-CA-C 118.825 2.898 . . . . 0.0 118.825 -174.875 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -55.09 -56.48 19.35 Favored 'General case' 0 CA--C 1.607 3.149 0 CA-C-O 113.603 -3.094 . . . . 0.0 109.922 166.481 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.452 75.3 m-20 -56.95 -45.04 83.09 Favored 'General case' 1 CA--C 1.648 4.726 0 CA-C-N 121.498 1.953 . . . . 0.0 113.768 171.878 . . . . . . . . 3 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.503 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.52 0.3 OUTLIER -54.79 -34.67 62.97 Favored 'General case' 0 CA--C 1.579 2.067 1 CA-C-O 110.915 -4.374 . . . . 0.0 111.663 170.353 . . . . . . . . 5 4 . 1 . 025 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.391 4.8 m -52.56 -31.51 36.33 Favored 'General case' 1 CA--C 1.65 4.81 0 CA-C-N 124.191 3.178 . . . . 0.0 116.932 170.815 . . . . . . . . 3 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.344 2.1 mpt_? -61.13 -32.22 71.92 Favored 'General case' 1 C--O 1.359 6.866 0 O-C-N 127.951 3.282 . . . . 0.0 113.426 168.35 . . . . . . . . 3 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.503 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 44.0 m170 -58.6 -23.71 59.34 Favored 'General case' 1 CA--C 1.664 5.33 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 169.145 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.541 4.8 tt -49.51 -51.54 57.82 Favored Pre-proline 0 N--CA 1.521 3.091 0 N-CA-C 117.423 2.379 . . . . 0.0 117.423 -166.118 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 1.565 ' CD ' ' CG ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -48.11 -38.79 33.05 Favored 'Trans proline' 1 N--CA 1.539 4.168 1 CA-C-O 108.808 -4.747 . . . . 0.0 115.807 164.302 . . . . . . . . 5 4 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 19' ' ' GLN . 3.2 pp -74.37 -34.38 63.34 Favored 'General case' 1 N--CA 1.567 5.419 0 CA-C-N 123.889 3.04 . . . . 0.0 117.089 170.791 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.558 ' N ' HD12 ' A' ' 18' ' ' LEU 0.518 4.0 tt0 66.58 63.06 0.52 Allowed 'General case' 1 N--CA 1.561 5.105 0 C-N-CA 131.211 3.804 . . . . 0.0 115.208 168.295 . . . . . . . . 4 3 . 1 . 025 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.402 ' CE1' HD13 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -123.67 -37.44 2.63 Favored 'General case' 0 CA--C 1.628 3.961 1 O-C-N 114.93 -4.856 . . . . 0.0 115.904 161.941 . . . . . . . . 4 4 . 1 . 025 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.51 61.59 0.67 Allowed 'General case' 1 CA--C 1.643 4.539 0 O-C-N 128.777 3.798 . . . . 0.0 112.571 173.392 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.496 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -67.29 -52.69 37.48 Favored 'General case' 0 C--O 1.271 2.229 0 O-C-N 128.608 3.693 . . . . 0.0 118.996 167.747 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.362 54.2 p -90.77 -11.39 39.64 Favored 'General case' 0 CA--C 1.589 2.465 0 CA-C-O 125.083 2.373 . . . . 0.0 113.997 167.305 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.25 95.16 0.01 OUTLIER Glycine 3 CA--C 1.625 6.943 2 O-C-N 113.289 -5.882 . . . . 0.0 117.364 173.137 . . . . . . . . 3 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.555 10.0 Cg_endo -45.91 -16.94 0.23 Allowed 'Trans proline' 0 CA--C 1.589 3.251 1 N-CA-C 125.558 5.176 . . . . 0.0 125.558 -176.149 . . . . . . . . 3 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.97 -44.44 8.06 Favored 'General case' 0 C--N 1.264 -3.124 0 N-CA-C 119.127 3.01 . . . . 0.0 119.127 177.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.597 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 12.2 p -117.54 91.94 39.42 Favored Pre-proline 2 CA--C 1.68 5.953 0 C-N-CA 128.737 2.815 . . . . 0.0 111.578 171.261 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.93 92.1 1.16 Allowed 'Trans proline' 2 N--CA 1.546 4.61 0 C-N-CA 123.156 2.57 . . . . 0.0 112.168 -169.72 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.362 . . 81.88 50.75 0.02 OUTLIER 'General case' 0 CA--C 1.602 2.943 0 N-CA-C 118.799 2.888 . . . . 0.0 118.799 -170.399 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 1' ' ' TRP . 47.0 t -100.44 -16.6 17.52 Favored 'General case' 1 CA--C 1.662 5.258 0 CA-C-O 116.273 -1.822 . . . . 0.0 112.436 177.354 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ttp -73.39 -16.1 61.34 Favored 'General case' 0 N--CA 1.5 2.03 1 N-CA-C 124.044 4.831 . . . . 0.0 124.044 179.75 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -82.78 -35.49 26.46 Favored 'General case' 0 C--N 1.257 -3.439 0 CA-C-N 112.418 -2.173 . . . . 0.0 113.953 177.244 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.321 . . -67.64 -35.63 79.27 Favored 'General case' 1 C--N 1.47 5.834 0 CA-C-O 116.335 -1.793 . . . . 0.0 114.199 168.697 . . . . . . . . 3 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 m -42.47 -40.33 2.55 Favored 'General case' 0 N--CA 1.526 3.368 0 CA-C-O 115.469 -2.205 . . . . 0.0 116.48 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mp -69.46 -37.45 77.31 Favored 'General case' 0 C--N 1.267 -3.018 0 CA-C-O 114.547 -2.644 . . . . 0.0 113.946 179.272 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -73.39 -56.33 3.2 Favored Pre-proline 0 CA--C 1.596 2.732 0 CA-C-O 113.109 -3.329 . . . . 0.0 108.084 -171.814 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -74.0 -18.7 21.21 Favored 'Trans proline' 1 CA--C 1.619 4.726 1 CA-C-O 110.184 -4.173 . . . . 0.0 118.856 167.701 . . . . . . . . 4 3 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 2 CA--C 1.648 4.725 0 O-C-N 126.964 2.665 . . . . 0.0 114.986 168.164 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 1.615 ' CG ' ' CB ' ' A' ' 1' ' ' TRP . 49.2 p-90 . . . . . 0 CA--C 1.614 3.424 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.271 6.8 mp -44.62 -51.0 9.49 Favored 'General case' 0 N--CA 1.533 3.713 0 N-CA-C 120.619 3.563 . . . . 0.0 120.619 176.299 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 tp -78.65 -29.84 14.78 Favored 'Isoleucine or valine' 0 C--O 1.158 -3.728 0 C-N-CA 117.475 -1.69 . . . . 0.0 114.086 161.817 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.8 t -63.88 -63.15 1.24 Allowed 'General case' 2 N--CA 1.595 6.777 2 CA-C-O 111.166 -4.254 . . . . 0.0 107.737 -172.248 . . . . . . . . 3 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.31 1.7 pt-20 -33.35 -66.71 0.14 Allowed 'General case' 0 N--CA 1.538 3.967 0 O-C-N 128.485 3.616 . . . . 0.0 118.47 -167.645 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.363 16.1 tp10 -55.95 -51.87 77.03 Favored Pre-proline 0 C--N 1.273 -2.748 1 N-CA-C 126.815 5.857 . . . . 0.0 126.815 -177.187 . . . . . . . . 3 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 1.515 ' CA ' ' C ' ' A' ' 7' ' ' PRO . 36.5 Cg_endo -72.65 -49.85 0.25 Allowed 'Trans proline' 1 CA--C 1.769 12.258 0 CA-C-N 124.82 2.757 . . . . 0.0 118.121 169.597 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -45.95 17.26 Favored 'General case' 0 CA--C 1.478 -1.796 2 N-CA-C 123.011 4.448 . . . . 0.0 123.011 -174.577 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.412 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 71.9 m -68.64 -33.02 73.29 Favored 'General case' 1 C--O 1.325 5.066 0 O-C-N 116.345 -3.972 . . . . 0.0 116.07 -179.86 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.349 2.6 ttt180 -57.8 -47.97 81.05 Favored 'General case' 1 N--CA 1.557 4.876 2 O-C-N 115.967 -4.208 . . . . 0.0 115.758 160.897 . . . . . . . . 4 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -66.26 -25.14 66.75 Favored 'General case' 0 N--CA 1.512 2.664 1 CA-C-N 126.492 4.224 . . . . 0.0 113.831 170.846 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.552 0.2 OUTLIER -62.56 -35.97 81.17 Favored 'General case' 1 N--CA 1.583 6.175 1 O-C-N 114.374 -5.204 . . . . 0.0 112.924 164.94 . . . . . . . . 6 4 . 1 . 026 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -55.42 -33.17 63.31 Favored 'General case' 0 C--N 1.415 3.437 0 O-C-N 116.924 -3.61 . . . . 0.0 117.743 172.605 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.297 2.1 mpt_? -52.19 -34.56 45.86 Favored 'General case' 1 CA--C 1.63 4.035 0 O-C-N 128.877 3.861 . . . . 0.0 118.934 165.657 . . . . . . . . 3 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.559 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.273 53.0 m170 -50.33 -34.97 25.61 Favored 'General case' 1 CA--C 1.666 5.427 1 CA-C-N 105.301 -5.409 . . . . 0.0 118.708 167.736 . . . . . . . . 5 3 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.416 HD23 ' HD3' ' A' ' 17' ' ' PRO 0.401 3.9 tt -50.64 -53.02 50.82 Favored Pre-proline 1 N--CA 1.595 6.798 2 O-C-N 115.077 -4.764 . . . . 0.0 106.612 -155.796 . . . . . . . . 5 3 . 1 . 026 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HD3' HD23 ' A' ' 16' ' ' LEU . 15.7 Cg_exo -47.55 -45.89 22.03 Favored 'Trans proline' 2 N--CA 1.38 -5.163 2 C-N-CA 127.386 5.391 . . . . 0.0 113.503 164.714 . . . . . . . . 4 3 . 1 . 026 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 19' ' ' GLN 0.506 1.7 pp -57.33 -47.53 81.32 Favored 'General case' 0 CA--C 1.608 3.189 2 CA-C-N 128.195 4.998 . . . . 0.0 122.028 170.103 . . . . . . . . 4 3 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.527 ' N ' HD12 ' A' ' 18' ' ' LEU 0.356 6.3 tt0 70.52 56.81 0.26 Allowed 'General case' 0 C--N 1.415 3.425 0 N-CA-C 119.795 3.257 . . . . 0.0 119.795 172.363 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.488 ' CE1' HD13 ' A' ' 18' ' ' LEU . 2.6 p90 -123.71 -32.34 3.33 Favored 'General case' 2 N--CA 1.616 7.858 1 O-C-N 116.223 -4.048 . . . . 0.0 111.446 168.669 . . . . . . . . 4 3 . 1 . 026 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.305 0.2 OUTLIER -116.34 48.65 1.23 Allowed 'General case' 0 CA--C 1.572 1.818 0 CA-C-O 126.988 3.28 . . . . 0.0 118.236 177.804 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.491 0.0 OUTLIER -58.07 -67.41 0.35 Allowed 'General case' 0 C--N 1.393 2.462 1 C-N-CA 133.126 4.57 . . . . 0.0 112.284 171.868 . . . . . . . . 4 3 . 1 . 026 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 52.8 p -84.19 -9.19 58.75 Favored 'General case' 1 CA--C 1.636 4.257 1 O-C-N 129.607 4.317 . . . . 0.0 111.1 173.684 . . . . . . . . 3 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.67 97.48 0.01 OUTLIER Glycine 2 N--CA 1.6 9.608 1 CA-C-O 113.208 -4.107 . . . . 0.0 120.059 -177.571 . . . . . . . . 3 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.323 1.7 Cg_endo -48.15 -15.96 0.53 Allowed 'Trans proline' 2 N--CA 1.572 6.119 0 CA-C-N 123.761 3.781 . . . . 0.0 118.577 -179.208 . . . . . . . . 3 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.53 -35.78 9.41 Favored 'General case' 1 C--N 1.429 4.053 0 O-C-N 118.167 -2.833 . . . . 0.0 117.279 -176.466 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.664 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 16.1 p -123.09 88.01 51.07 Favored Pre-proline 1 C--N 1.443 4.651 0 O-C-N 120.002 -1.686 . . . . 0.0 112.578 171.263 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -68.01 93.9 0.4 Allowed 'Trans proline' 2 C--N 1.511 9.103 1 C-N-CA 126.356 4.704 . . . . 0.0 116.829 -170.412 . . . . . . . . 3 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.371 . . 76.74 58.96 0.04 OUTLIER 'General case' 1 CA--C 1.652 4.903 1 O-C-N 129.767 4.417 . . . . 0.0 115.932 -169.696 . . . . . . . . 4 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.772 ' SG ' ' HB2' ' A' ' 1' ' ' TRP . 53.8 t -110.31 -14.72 14.1 Favored 'General case' 0 CA--C 1.62 3.638 0 O-C-N 119.289 -2.132 . . . . 0.0 111.996 176.724 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ttp -73.75 -16.96 61.16 Favored 'General case' 0 CA--C 1.607 3.168 0 N-CA-C 121.456 3.873 . . . . 0.0 121.456 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -86.39 -27.24 24.33 Favored 'General case' 0 CA--C 1.619 3.601 1 CA-C-O 110.621 -4.514 . . . . 0.0 119.613 171.72 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.338 . . -69.62 -34.74 74.51 Favored 'General case' 0 C--O 1.209 -1.032 1 O-C-N 131.33 5.394 . . . . 0.0 115.898 165.688 . . . . . . . . 4 3 . 1 . 026 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.288 17.2 m -48.92 -37.97 21.45 Favored 'General case' 0 CA--C 1.618 3.567 0 N-CA-C 121.309 3.818 . . . . 0.0 121.309 -176.446 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.296 4.6 mp -58.36 -49.19 78.11 Favored 'General case' 1 C--N 1.432 4.164 0 CA-C-N 111.964 -2.38 . . . . 0.0 113.254 174.211 . . . . . . . . 3 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -65.24 -56.45 19.79 Favored Pre-proline 1 C--N 1.444 4.694 0 C-N-CA 114.678 -2.809 . . . . 0.0 112.236 -168.679 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.452 6.3 Cg_exo -64.11 -30.47 65.56 Favored 'Trans proline' 1 C--N 1.428 4.741 1 CA-C-O 108.853 -4.728 . . . . 0.0 115.819 171.72 . . . . . . . . 5 3 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.292 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.841 1 CA-C-N 128.719 5.236 . . . . 0.0 113.12 171.347 . . . . . . . . 3 2 . 1 . 027 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.592 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 61.4 p-90 . . . . . 1 N--CA 1.547 4.423 0 N-CA-C 119.211 3.041 . . . . 0.0 119.211 . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 mp -51.56 -41.39 61.09 Favored 'General case' 0 C--N 1.385 2.134 1 O-C-N 133.389 6.681 . . . . 0.0 116.832 177.326 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.553 1.2 tp -75.53 -35.49 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.094 0 O-C-N 119.967 -1.708 . . . . 0.0 113.294 162.438 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.0 t -63.38 -69.05 0.29 Allowed 'General case' 2 N--CA 1.583 6.2 0 CA-C-O 115.07 -2.395 . . . . 0.0 108.582 -164.117 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.354 0.6 OUTLIER -21.44 -79.58 0.01 OUTLIER 'General case' 1 CA--C 1.698 6.651 0 CA-C-O 112.096 -3.811 . . . . 0.0 114.702 -172.783 . . . . . . . . 4 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -54.91 -41.09 88.58 Favored Pre-proline 0 CA--C 1.612 3.336 2 O-C-N 130.764 5.04 . . . . 0.0 123.25 -164.163 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.35 -62.92 0.03 OUTLIER 'Trans proline' 1 N--CA 1.54 4.252 0 C-N-CA 123.659 2.906 . . . . 0.0 113.384 172.497 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.324 1.6 m -70.58 -45.44 65.37 Favored 'General case' 2 C--N 1.448 4.88 0 N-CA-C 120.464 3.505 . . . . 0.0 120.464 -164.613 . . . . . . . . 3 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.466 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.437 45.0 m -72.31 -36.81 68.99 Favored 'General case' 1 N--CA 1.591 6.608 2 O-C-N 131.845 5.716 . . . . 0.0 110.514 -166.181 . . . . . . . . 5 3 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.392 3.9 ttt180 -65.37 -36.28 83.5 Favored 'General case' 0 C--N 1.428 3.99 0 N-CA-C 118.192 2.664 . . . . 0.0 118.192 174.475 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -70.23 -34.21 72.58 Favored 'General case' 0 C--O 1.169 -3.146 0 CA-C-O 115.176 -2.345 . . . . 0.0 112.3 165.916 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HG2' ' HA ' ' A' ' 9' ' ' CYS 0.3 0.1 OUTLIER -60.98 -30.19 70.12 Favored 'General case' 0 CA--C 1.44 -3.267 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 162.326 . . . . . . . . 4 4 . 1 . 027 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.334 54.9 m -50.68 -45.85 58.4 Favored 'General case' 2 N--CA 1.552 4.635 0 CA-C-O 126.776 3.179 . . . . 0.0 109.833 178.239 . . . . . . . . 3 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.409 ' H ' ' HD2' ' A' ' 14' ' ' ARG . 2.3 mpt_? -52.12 -31.94 33.15 Favored 'General case' 1 N--CA 1.542 4.128 1 CA-C-O 109.082 -5.247 . . . . 0.0 109.909 169.412 . . . . . . . . 4 3 . 1 . 027 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.677 ' HB3' HD11 ' A' ' 18' ' ' LEU 0.334 2.9 m170 -55.92 -29.86 60.74 Favored 'General case' 0 C--O 1.153 -3.981 1 CA-C-N 129.759 5.709 . . . . 0.0 116.04 168.687 . . . . . . . . 4 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -51.01 -52.06 61.74 Favored Pre-proline 1 CA--C 1.635 4.213 1 CA-C-O 108.219 -5.658 . . . . 0.0 109.527 -167.333 . . . . . . . . 3 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 1.477 ' CD ' ' CG ' ' A' ' 17' ' ' PRO 0.377 41.7 Cg_exo -42.63 -36.1 4.55 Favored 'Trans proline' 0 CA--C 1.579 2.733 1 CA-C-N 128.599 4.107 . . . . 0.0 121.744 165.655 . . . . . . . . 4 3 . 1 . 027 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' A' ' 15' ' ' HIS 0.449 2.0 pp -74.47 -50.33 18.72 Favored 'General case' 1 N--CA 1.56 5.057 0 O-C-N 119.492 -2.005 . . . . 0.0 109.67 -176.392 . . . . . . . . 4 3 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 72.17 57.35 0.15 Allowed 'General case' 0 C--O 1.205 -1.276 1 N-CA-C 126.819 5.859 . . . . 0.0 126.819 172.755 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 2.3 p90 -127.71 -34.32 2.2 Favored 'General case' 0 N--CA 1.53 3.528 0 CA-C-N 112.574 -2.103 . . . . 0.0 112.438 171.347 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.41 65.0 0.83 Allowed 'General case' 0 C--N 1.384 2.099 0 CA-C-O 124.99 2.329 . . . . 0.0 107.162 174.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.516 ' H ' ' HD3' ' A' ' 22' ' ' ARG 0.251 0.0 OUTLIER -68.14 -51.61 44.11 Favored 'General case' 0 C--O 1.289 3.136 1 C-N-CA 132.336 4.255 . . . . 0.0 113.183 165.17 . . . . . . . . 5 4 . 1 . 027 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.3 p -100.6 5.52 43.94 Favored 'General case' 0 CA--C 1.619 3.602 0 CA-C-N 109.415 -3.538 . . . . 0.0 114.899 179.192 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 30.95 96.92 0.01 OUTLIER Glycine 1 N--CA 1.663 13.773 0 O-C-N 127.432 2.958 . . . . 0.0 120.383 -169.829 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.38 4.0 Cg_exo -29.68 -19.64 0.01 OUTLIER 'Trans proline' 1 N--CA 1.611 8.419 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 172.483 . . . . . . . . 3 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.17 -44.86 7.44 Favored 'General case' 0 CA--C 1.454 -2.73 0 N-CA-C 119.549 3.166 . . . . 0.0 119.549 -179.212 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.1 p -120.04 104.3 44.11 Favored Pre-proline 0 C--N 1.251 -3.679 2 O-C-N 110.118 -7.864 . . . . 0.0 103.03 174.016 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -85.25 99.96 0.69 Allowed 'Trans proline' 2 CA--C 1.636 5.613 3 C-N-CA 128.571 6.18 . . . . 0.0 108.608 -164.853 . . . . . . . . 3 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.534 . . 77.11 59.21 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 124.337 3.244 . . . . 0.0 111.425 -175.702 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.592 ' SG ' ' HB2' ' A' ' 1' ' ' TRP . 53.5 t -112.11 -27.78 8.24 Favored 'General case' 0 CA--C 1.606 3.122 0 CA-C-N 111.081 -2.781 . . . . 0.0 114.061 167.243 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.5 ttp -52.34 -16.79 0.93 Allowed 'General case' 1 C--N 1.432 4.16 0 N-CA-C 119.497 3.147 . . . . 0.0 119.497 173.847 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -93.03 -32.8 14.36 Favored 'General case' 1 CA--C 1.689 6.323 0 O-C-N 117.765 -3.084 . . . . 0.0 109.627 -170.218 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.591 ' O ' ' HD2' ' A' ' 37' ' ' PRO . . . -56.77 -34.75 67.92 Favored 'General case' 0 N--CA 1.529 3.492 1 CA-C-O 110.463 -4.589 . . . . 0.0 114.011 160.829 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.5 m -50.49 -36.47 33.94 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 124.717 3.417 . . . . 0.0 111.468 -171.782 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.331 5.2 mp -65.78 -53.45 40.26 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 174.398 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.255 33.6 mt-30 -58.14 -53.95 60.68 Favored Pre-proline 1 N--CA 1.545 4.286 1 O-C-N 111.602 -6.936 . . . . 0.0 115.39 178.274 . . . . . . . . 4 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.591 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.343 7.7 Cg_exo -57.64 -36.92 98.37 Favored 'Trans proline' 1 N--CA 1.563 5.559 0 C-N-CA 124.791 3.661 . . . . 0.0 115.226 172.303 . . . . . . . . 4 3 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.383 0.0 OUTLIER . . . . . 1 C--N 1.506 7.374 0 O-C-N 127.355 2.909 . . . . 0.0 116.686 -178.814 . . . . . . . . 3 2 . 1 . 028 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 33.7 p-90 . . . . . 0 N--CA 1.521 3.082 0 CA-C-O 127.608 3.575 . . . . 0.0 120.421 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.278 1.9 mp -65.28 -47.89 75.09 Favored 'General case' 1 N--CA 1.59 6.531 0 O-C-N 118.759 -2.463 . . . . 0.0 112.573 -164.744 . . . . . . . . 3 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.443 3.6 tp -89.55 -12.47 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.61 1 O-C-N 132.634 6.209 . . . . 0.0 109.785 -179.647 . . . . . . . . 3 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.405 6.2 t -66.56 -62.86 1.24 Allowed 'General case' 1 N--CA 1.547 4.399 0 C-N-CA 127.977 2.511 . . . . 0.0 113.262 165.603 . . . . . . . . 4 3 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.527 ' OE1' ' HG2' ' A' ' 37' ' ' PRO 0.337 1.1 pt-20 -29.14 -66.53 0.09 Allowed 'General case' 0 C--N 1.276 -2.627 1 O-C-N 132.15 5.906 . . . . 0.0 121.733 -172.393 . . . . . . . . 4 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.656 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 15.3 tp10 -69.37 -61.37 3.3 Favored Pre-proline 1 CA--C 1.69 6.358 2 N-CA-C 125.078 5.214 . . . . 0.0 125.078 -168.024 . . . . . . . . 4 3 . 1 . 028 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' A' ' 6' ' ' GLU . 95.3 Cg_endo -72.11 -40.36 2.53 Favored 'Trans proline' 0 CA--C 1.486 -1.894 0 C-N-CA 124.536 3.491 . . . . 0.0 118.543 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.6 m -73.67 -46.21 47.88 Favored 'General case' 1 C--N 1.443 4.642 0 N-CA-C 117.055 2.242 . . . . 0.0 117.055 175.59 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.428 29.7 m -72.56 -40.89 66.3 Favored 'General case' 0 CA--C 1.623 3.776 0 CA-C-N 109.331 -3.577 . . . . 0.0 114.148 -170.518 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.22 -40.79 74.62 Favored 'General case' 1 CA--C 1.636 4.256 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 165.631 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -64.52 -39.87 94.57 Favored 'General case' 1 N--CA 1.55 4.553 0 CA-C-N 124.361 3.255 . . . . 0.0 105.99 168.063 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.526 0.3 OUTLIER -49.24 -30.24 6.86 Favored 'General case' 1 C--N 1.473 5.951 0 N-CA-C 121.602 3.927 . . . . 0.0 121.602 164.762 . . . . . . . . 4 3 . 1 . 028 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.432 28.6 m -56.24 -35.17 67.08 Favored 'General case' 0 C--N 1.414 3.382 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 179.075 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.21 -32.63 56.27 Favored 'General case' 0 C--N 1.391 2.392 0 CA-C-N 111.738 -2.483 . . . . 0.0 116.615 165.285 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.418 0.5 OUTLIER -49.48 -26.84 3.69 Favored 'General case' 1 N--CA 1.541 4.103 0 N-CA-C 118.824 2.898 . . . . 0.0 118.824 159.089 . . . . . . . . 4 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -40.73 86.62 Favored Pre-proline 1 N--CA 1.541 4.122 2 CA-C-O 108.937 -5.316 . . . . 0.0 113.435 -173.437 . . . . . . . . 4 3 . 1 . 028 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.436 6.1 Cg_exo -53.13 -52.34 8.99 Favored 'Trans proline' 0 CA--C 1.587 3.171 2 C-N-CA 129.896 7.064 . . . . 0.0 118.713 172.469 . . . . . . . . 3 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.353 4.1 pp -67.64 -30.36 69.9 Favored 'General case' 1 N--CA 1.586 6.368 1 CA-C-N 104.209 -5.905 . . . . 0.0 118.632 -173.936 . . . . . . . . 4 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.278 7.1 tt0 62.26 58.35 1.79 Allowed 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 123.428 1.585 . . . . 0.0 114.445 172.827 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.498 0.8 OUTLIER -145.36 -29.79 0.43 Allowed 'General case' 1 N--CA 1.547 4.376 0 N-CA-C 117.699 2.481 . . . . 0.0 117.699 170.878 . . . . . . . . 4 3 . 1 . 028 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.381 6.6 t -126.64 80.85 1.96 Allowed 'General case' 0 N--CA 1.496 1.874 1 N-CA-C 99.297 -4.334 . . . . 0.0 99.297 161.137 . . . . . . . . 3 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.688 ' H ' ' HD3' ' A' ' 22' ' ' ARG 0.362 0.0 OUTLIER -88.12 -51.73 5.63 Favored 'General case' 1 N--CA 1.623 8.222 0 CA-C-N 111.832 -2.44 . . . . 0.0 116.36 164.072 . . . . . . . . 5 4 . 1 . 028 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 p -74.94 -59.93 2.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 118.064 -2.897 . . . . 0.0 112.292 160.638 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.08 117.48 4.3 Favored Glycine 1 CA--C 1.661 9.201 0 CA-C-O 113.684 -3.842 . . . . 0.0 112.996 -168.504 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -77.48 4.95 5.51 Favored 'Trans proline' 0 C--N 1.382 2.328 0 CA-C-N 122.35 3.075 . . . . 0.0 116.172 170.927 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.49 2.5 mp -84.43 -74.78 0.37 Allowed 'General case' 1 N--CA 1.609 7.478 0 CA-C-O 114.441 -2.695 . . . . 0.0 108.058 166.559 . . . . . . . . 3 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.715 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 28.4 p -89.96 109.34 32.11 Favored Pre-proline 0 CA--C 1.567 1.631 0 C-N-CA 130.347 3.459 . . . . 0.0 107.38 169.185 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -67.21 114.18 3.13 Favored 'Trans proline' 1 CA--C 1.663 6.945 0 CA-C-N 121.583 1.601 . . . . 0.0 113.682 166.41 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.24 72.2 0.54 Allowed 'General case' 1 N--CA 1.574 5.761 2 O-C-N 135.206 7.816 . . . . 0.0 121.44 178.483 . . . . . . . . 3 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.715 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.343 44.3 t -115.11 -7.62 12.46 Favored 'General case' 0 CA--C 1.628 3.978 0 C-N-CA 125.219 1.407 . . . . 0.0 113.048 -166.903 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.365 33.5 ttp -87.1 -30.85 20.8 Favored 'General case' 1 CA--C 1.634 4.196 0 CA-C-O 111.773 -3.965 . . . . 0.0 116.852 -161.21 . . . . . . . . 3 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -70.16 -33.06 71.31 Favored 'General case' 0 CA--C 1.611 3.324 0 O-C-N 126.639 2.462 . . . . 0.0 114.619 -169.58 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.442 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.305 . . -67.8 -40.18 83.9 Favored 'General case' 1 N--CA 1.594 6.737 0 C-N-CA 131.143 3.777 . . . . 0.0 119.732 173.274 . . . . . . . . 4 3 . 1 . 028 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.257 26.9 m -39.56 -59.88 1.04 Allowed 'General case' 1 CA--C 1.71 7.097 0 C-N-CA 128.006 2.522 . . . . 0.0 107.452 160.472 . . . . . . . . 3 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mp -47.63 -40.7 20.27 Favored 'General case' 2 CA--C 1.702 6.798 1 CA-C-O 109.72 -4.943 . . . . 0.0 110.039 178.549 . . . . . . . . 3 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.358 4.6 mt-30 -65.83 -65.64 1.71 Allowed Pre-proline 2 N--CA 1.615 7.8 1 CA-C-O 111.668 -4.015 . . . . 0.0 106.467 170.394 . . . . . . . . 4 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HG2' ' OE1' ' A' ' 5' ' ' GLU 0.515 2.1 Cg_endo -58.0 -17.56 31.57 Favored 'Trans proline' 1 CA--C 1.604 4.015 1 CA-C-N 130.2 4.678 . . . . 0.0 116.655 -175.584 . . . . . . . . 5 3 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.351 1.7 pp20? . . . . . 2 CA--C 1.651 4.848 1 O-C-N 113.596 -5.69 . . . . 0.0 112.199 170.153 . . . . . . . . 3 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.379 6.0 p-90 . . . . . 0 N--CA 1.494 1.755 0 N-CA-C 119.143 3.016 . . . . 0.0 119.143 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mp -54.34 -44.5 72.18 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 167.775 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.279 6.6 tp -54.85 -36.75 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 163.35 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -61.17 -67.53 0.4 Allowed 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 116.998 -1.477 . . . . 0.0 111.625 167.466 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.286 3.7 pt-20 -51.24 -62.86 1.36 Allowed 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.669 1.577 . . . . 0.0 114.143 -170.236 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.27 8.1 tp10 -68.47 -68.19 0.66 Allowed Pre-proline 0 CA--C 1.576 1.971 0 CA-C-O 113.884 -2.96 . . . . 0.0 113.579 -177.535 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.266 10.6 Cg_endo -71.23 -57.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.375 1.953 0 CA-C-N 127.488 3.71 . . . . 0.0 115.344 -177.179 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.276 15.8 m -73.62 -38.44 65.07 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 120.294 3.442 . . . . 0.0 120.294 -174.554 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -72.06 -30.28 64.98 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.869 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -62.92 -39.46 94.61 Favored 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 165.368 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -63.69 -29.22 70.47 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 164.12 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.46 1.3 ptp180 -66.89 -28.73 68.56 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 120.766 1.621 . . . . 0.0 114.786 165.194 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.303 7.1 m -60.18 -28.2 67.75 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 159.844 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.328 1.4 mpt_? -65.19 -24.64 67.43 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 163.429 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -67.31 -27.57 67.27 Favored 'General case' 0 CA--C 1.58 2.119 0 CA-C-N 119.048 0.84 . . . . 0.0 111.207 162.32 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.259 6.2 tt -65.48 -36.83 16.04 Favored Pre-proline 0 N--CA 1.499 1.99 0 CA-C-O 115.663 -2.113 . . . . 0.0 112.708 -175.785 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -48.17 -32.27 18.63 Favored 'Trans proline' 0 CA--C 1.578 2.704 0 CA-C-N 125.302 2.929 . . . . 0.0 116.531 160.457 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -87.89 -46.04 9.75 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 167.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.343 13.2 tt0 66.77 19.09 10.74 Favored 'General case' 0 CA--C 1.578 2.053 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 174.665 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.307 29.6 p90 -83.25 -36.02 24.89 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 119.918 -1.739 . . . . 0.0 113.727 165.388 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.2 t -86.34 45.55 1.25 Allowed 'General case' 0 CA--C 1.58 2.104 0 O-C-N 120.701 -1.25 . . . . 0.0 113.809 166.005 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -46.14 79.86 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 169.02 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -67.24 -54.44 20.92 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 110.784 -2.916 . . . . 0.0 113.616 166.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.86 78.16 0.12 Allowed Glycine 0 CA--C 1.559 2.782 0 CA-C-O 116.029 -2.539 . . . . 0.0 119.325 169.475 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -68.26 69.41 0.97 Allowed 'Trans proline' 0 CA--C 1.575 2.568 0 CA-C-N 123.35 3.575 . . . . 0.0 118.786 -175.348 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -126.44 -52.41 1.49 Allowed 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 124.376 1.07 . . . . 0.0 112.409 -176.426 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 7.0 p -137.04 144.14 45.06 Favored Pre-proline 0 CA--C 1.58 2.133 0 CA-C-N 119.572 1.078 . . . . 0.0 113.333 -176.897 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -76.11 98.59 1.21 Allowed 'Trans proline' 0 CA--C 1.569 2.259 0 C-N-CA 122.631 2.221 . . . . 0.0 115.099 -174.446 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.31 47.53 18.96 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -179.718 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.528 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 48.7 t -99.62 -10.45 21.99 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 -169.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -74.12 -37.77 64.01 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 170.801 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -58.56 -36.86 74.59 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 169.065 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.1 -41.75 75.72 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 167.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.2 m -49.43 -36.71 23.17 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 165.758 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.418 0.9 OUTLIER -72.56 -26.02 61.57 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 168.56 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.8 -45.48 79.91 Favored Pre-proline 0 CA--C 1.59 2.502 0 CA-C-N 121.264 1.847 . . . . 0.0 110.469 161.544 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -72.95 -49.03 0.25 Allowed 'Trans proline' 0 CA--C 1.578 2.715 0 CA-C-N 123.459 2.271 . . . . 0.0 117.191 160.875 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 N--CA 1.49 1.531 0 CA-C-N 122.956 2.616 . . . . 0.0 112.825 -175.238 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 116.998 -1.477 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.286 3.7 pt-20 -51.24 -62.86 1.36 Allowed 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.669 1.577 . . . . 0.0 114.143 -170.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.27 8.0 tp10 -68.47 -68.19 0.66 Allowed Pre-proline 0 CA--C 1.576 1.971 0 CA-C-O 113.884 -2.96 . . . . 0.0 113.579 -177.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.266 10.6 Cg_endo -71.23 -57.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.375 1.953 0 CA-C-N 127.488 3.71 . . . . 0.0 115.344 -177.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.276 15.8 m -73.62 -38.44 65.07 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 120.294 3.442 . . . . 0.0 120.294 -174.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -72.06 -30.28 64.98 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -62.92 -39.46 94.61 Favored 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 165.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -63.69 -29.22 70.47 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 164.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.46 1.3 ptp180 -66.89 -28.73 68.56 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 120.766 1.621 . . . . 0.0 114.786 165.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.303 7.1 m -60.18 -28.2 67.75 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 159.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.328 1.4 mpt_? -65.19 -24.64 67.43 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 163.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -67.31 -27.57 67.27 Favored 'General case' 0 CA--C 1.58 2.119 0 CA-C-N 119.048 0.84 . . . . 0.0 111.207 162.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.259 6.2 tt -65.48 -36.83 16.04 Favored Pre-proline 0 N--CA 1.499 1.99 0 CA-C-O 115.663 -2.113 . . . . 0.0 112.708 -175.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -48.17 -32.27 18.63 Favored 'Trans proline' 0 CA--C 1.578 2.704 0 CA-C-N 125.302 2.929 . . . . 0.0 116.531 160.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -87.89 -46.04 9.75 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 167.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.343 13.2 tt0 66.77 19.09 10.74 Favored 'General case' 0 CA--C 1.578 2.053 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 174.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.307 29.6 p90 -83.25 -36.02 24.89 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 119.918 -1.739 . . . . 0.0 113.727 165.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.2 t -86.34 45.55 1.25 Allowed 'General case' 0 CA--C 1.58 2.104 0 O-C-N 120.701 -1.25 . . . . 0.0 113.809 166.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -46.14 79.86 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 169.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -67.24 -54.44 20.92 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 110.784 -2.916 . . . . 0.0 113.616 166.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.86 78.16 0.12 Allowed Glycine 0 CA--C 1.559 2.782 0 CA-C-O 116.029 -2.539 . . . . 0.0 119.325 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -68.26 69.41 0.97 Allowed 'Trans proline' 0 CA--C 1.575 2.568 0 CA-C-N 123.35 3.575 . . . . 0.0 118.786 -175.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -126.44 -52.41 1.49 Allowed 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 124.376 1.07 . . . . 0.0 112.409 -176.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 7.0 p -137.04 144.14 45.06 Favored Pre-proline 0 CA--C 1.58 2.133 0 CA-C-N 119.572 1.078 . . . . 0.0 113.333 -176.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -76.11 98.59 1.21 Allowed 'Trans proline' 0 CA--C 1.569 2.259 0 C-N-CA 122.631 2.221 . . . . 0.0 115.099 -174.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.31 47.53 18.96 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.528 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 48.7 t -99.62 -10.45 21.99 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 -169.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -74.12 -37.77 64.01 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 170.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -58.56 -36.86 74.59 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 169.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.1 -41.75 75.72 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 167.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.2 m -49.43 -36.71 23.17 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 165.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.418 0.9 OUTLIER -72.56 -26.02 61.57 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 168.56 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.8 -45.48 79.91 Favored Pre-proline 0 CA--C 1.59 2.502 0 CA-C-N 121.264 1.847 . . . . 0.0 110.469 161.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -72.95 -49.03 0.25 Allowed 'Trans proline' 0 CA--C 1.578 2.715 0 CA-C-N 123.459 2.271 . . . . 0.0 117.191 160.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--O 1.27 2.156 0 CA-C-N 122.956 2.616 . . . . 0.0 112.825 -175.238 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 9' ' ' CYS 0.278 4.1 t . . . . . 1 CA--C 1.641 4.471 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -66.21 -43.18 87.47 Favored 'General case' 0 CA--C 1.609 3.238 0 CA-C-O 114.074 -2.87 . . . . 0.0 114.67 -166.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 10' ' ' ARG 0.307 7.5 tp10 -75.97 -65.0 0.48 Allowed Pre-proline 0 C--N 1.366 1.325 0 CA-C-O 114.843 -2.503 . . . . 0.0 115.885 177.254 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -72.43 -54.3 0.13 Allowed 'Trans proline' 1 N--CA 1.578 6.465 0 CA-C-N 126.634 3.405 . . . . 0.0 109.751 -177.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.276 93.9 m -77.76 -45.51 24.41 Favored 'General case' 1 N--CA 1.552 4.645 0 CA-C-O 125.168 2.414 . . . . 0.0 109.563 -161.403 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 4' ' ' CYS 0.319 0.5 OUTLIER -68.4 -33.39 74.15 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 118.044 -2.91 . . . . 0.0 113.513 178.849 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 6' ' ' GLU . 50.1 ttt-85 -57.88 -40.87 81.29 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 162.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.267 22.6 m-80 -60.88 -39.41 89.12 Favored 'General case' 1 N--CA 1.589 6.511 0 O-C-N 120.379 -1.451 . . . . 0.0 113.727 160.148 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.722 0.7 OUTLIER -49.84 -44.79 49.69 Favored 'General case' 1 CA--C 1.705 6.941 1 O-C-N 115.892 -4.255 . . . . 0.0 108.83 168.677 . . . . . . . . 6 4 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 1.475 ' CA ' ' C ' ' A' ' 13' ' ' THR . 75.1 m -60.51 -34.65 74.39 Favored 'General case' 1 CA--C 1.8 10.573 2 N-CA-C 98.717 -4.549 . . . . 0.0 98.717 -176.787 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.43 1.9 mpt_? -56.03 -35.31 66.72 Favored 'General case' 0 CA--C 1.612 3.35 0 O-C-N 118.227 -2.796 . . . . 0.0 112.209 166.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.375 9.9 m170 -51.8 -36.29 47.23 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 114.029 -2.891 . . . . 0.0 115.219 157.669 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.377 8.1 tt -67.83 -36.54 9.83 Favored Pre-proline 1 N--CA 1.616 7.829 0 C-N-CA 129.041 2.936 . . . . 0.0 103.693 -169.409 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' A' ' 13' ' ' THR . 94.9 Cg_exo -52.96 -41.18 73.08 Favored 'Trans proline' 0 CA--C 1.484 -1.983 2 O-C-N 109.822 -5.936 . . . . 0.0 113.919 167.135 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 pp -81.48 -39.48 24.72 Favored 'General case' 1 N--CA 1.589 6.503 1 O-C-N 109.607 -8.183 . . . . 0.0 120.988 170.298 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.456 12.9 tt0 75.03 6.73 4.27 Favored 'General case' 2 CA--C 1.692 6.405 0 C-N-CA 130.935 3.694 . . . . 0.0 113.434 165.243 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.496 1.3 p90 -73.57 -37.58 65.46 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 171.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -95.51 56.55 1.83 Allowed 'General case' 1 CA--C 1.699 6.696 0 CA-C-O 125.616 2.626 . . . . 0.0 107.962 172.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -29.75 43.56 Favored 'General case' 0 CA--C 1.619 3.603 1 N-CA-C 122.731 4.345 . . . . 0.0 122.731 170.527 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 p -88.72 -44.53 10.5 Favored 'General case' 0 CA--C 1.618 3.581 1 CA-C-N 101.423 -7.171 . . . . 0.0 109.524 170.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.59 80.66 0.05 OUTLIER Glycine 1 CA--C 1.638 7.738 1 CA-C-O 113.098 -4.168 . . . . 0.0 118.159 172.203 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -74.64 79.03 2.64 Favored 'Trans proline' 0 C--N 1.397 3.085 2 CA-C-O 131.23 4.596 . . . . 0.0 114.592 -166.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.25 4.1 mp -139.08 -48.62 0.49 Allowed 'General case' 2 N--CA 1.604 7.247 1 O-C-N 112.415 -6.428 . . . . 0.0 105.446 -164.18 . . . . . . . . 4 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.479 20.4 p -135.8 147.94 63.22 Favored Pre-proline 1 N--CA 1.587 6.419 0 CA-C-O 115.637 -2.125 . . . . 0.0 109.073 -175.569 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.372 79.1 Cg_endo -69.2 104.48 1.24 Allowed 'Trans proline' 2 N--CA 1.66 11.316 0 C-N-CA 123.323 2.682 . . . . 0.0 113.92 166.973 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.311 . . 54.47 50.82 15.28 Favored 'General case' 2 CA--C 1.665 5.403 0 CA-C-O 116.51 -1.709 . . . . 0.0 112.491 167.484 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.302 41.1 t -108.25 -10.56 15.36 Favored 'General case' 0 C--O 1.279 2.611 0 O-C-N 116.777 -3.702 . . . . 0.0 116.006 -168.705 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.451 1.2 tmt? -65.94 -49.58 67.42 Favored 'General case' 0 C--N 1.398 2.688 0 CA-C-O 115.279 -2.296 . . . . 0.0 114.685 170.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -56.15 -28.16 56.97 Favored 'General case' 1 N--CA 1.624 8.258 0 N-CA-C 120.976 3.695 . . . . 0.0 120.976 172.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 36' ' ' GLN . . . -59.79 -46.75 88.25 Favored 'General case' 1 N--CA 1.578 5.955 0 CA-C-O 114.853 -2.499 . . . . 0.0 116.847 165.802 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 m -48.15 -42.69 30.16 Favored 'General case' 0 CA--C 1.593 2.608 1 O-C-N 131.292 5.37 . . . . 0.0 113.31 164.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.575 0.9 OUTLIER -60.21 -32.08 70.77 Favored 'General case' 1 N--CA 1.554 4.77 0 C-N-CA 129.184 2.994 . . . . 0.0 113.866 165.714 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 61.5 mt-30 -59.5 -44.73 98.33 Favored Pre-proline 1 N--CA 1.557 4.882 0 O-C-N 117.295 -3.378 . . . . 0.0 105.396 170.429 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -73.28 -44.27 0.58 Allowed 'Trans proline' 0 N--CA 1.517 2.877 1 CA-C-N 132.298 5.428 . . . . 0.0 118.6 158.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.385 35.9 tt0 . . . . . 1 CA--C 1.631 4.074 0 CA-C-N 124.65 3.386 . . . . 0.0 115.339 -176.535 . . . . . . . . 2 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 3.7 t . . . . . 0 CA--C 1.588 2.413 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.274 2.8 pt-20 -55.06 -53.0 61.44 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 118.518 -2.614 . . . . 0.0 115.935 -170.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 10' ' ' ARG 0.378 5.5 tp10 -73.48 -66.28 0.55 Allowed Pre-proline 0 C--N 1.427 3.938 0 O-C-N 116.305 -3.997 . . . . 0.0 117.625 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -65.93 -58.97 0.15 Allowed 'Trans proline' 0 C--O 1.246 0.923 0 CA-C-N 127.643 3.765 . . . . 0.0 114.868 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.396 97.6 m -68.41 -49.09 62.56 Favored 'General case' 0 C--N 1.415 3.428 2 CA-C-O 130.978 5.18 . . . . 0.0 119.985 -169.721 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 4' ' ' CYS 0.384 0.1 OUTLIER -62.86 -38.26 90.1 Favored 'General case' 0 C--O 1.284 2.902 0 CA-C-N 109.843 -3.344 . . . . 0.0 115.984 174.461 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 6' ' ' GLU . 45.8 ttt-85 -60.82 -42.34 97.5 Favored 'General case' 0 N--CA 1.53 3.555 1 CA-C-O 110.195 -4.717 . . . . 0.0 103.918 166.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -68.65 -30.09 68.72 Favored 'General case' 0 CA--C 1.617 3.54 1 CA-C-N 126.233 4.106 . . . . 0.0 117.304 166.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.386 3.0 ptp180 -57.87 -28.58 64.3 Favored 'General case' 0 C--N 1.371 1.54 1 O-C-N 115.844 -4.285 . . . . 0.0 114.39 165.776 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.472 ' O ' ' HD2' ' A' ' 17' ' ' PRO . 59.2 m -62.45 -34.11 76.15 Favored 'General case' 2 CA--C 1.705 6.925 0 CA-C-O 115.716 -2.087 . . . . 0.0 106.375 171.504 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.359 1.4 mpt_? -55.44 -32.92 63.15 Favored 'General case' 1 N--CA 1.544 4.239 0 CA-C-N 120.964 1.711 . . . . 0.0 112.08 164.805 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.33 23.9 m170 -58.64 -30.53 67.38 Favored 'General case' 0 CA--C 1.627 3.933 1 CA-C-O 109.753 -4.927 . . . . 0.0 116.565 160.999 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.291 8.8 tt -70.57 -31.11 2.03 Favored Pre-proline 0 N--CA 1.517 2.915 1 O-C-N 129.441 4.213 . . . . 0.0 106.196 -173.062 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.472 ' HD2' ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -60.81 -31.9 92.25 Favored 'Trans proline' 1 N--CA 1.558 5.318 0 O-C-N 113.893 -3.793 . . . . 0.0 111.341 168.064 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 15' ' ' HIS . 3.6 pp -81.54 -48.65 11.54 Favored 'General case' 0 CA--C 1.623 3.777 1 O-C-N 111.391 -7.068 . . . . 0.0 115.017 171.128 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.754 14.5 tt0 76.77 2.96 3.41 Favored 'General case' 0 C--O 1.271 2.198 1 N-CA-C 123.836 4.754 . . . . 0.0 123.836 175.406 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.268 2.2 p90 -82.19 -28.88 31.77 Favored 'General case' 0 C--N 1.41 3.238 1 O-C-N 115.864 -4.272 . . . . 0.0 114.346 177.445 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.305 46.2 t -94.94 58.23 2.19 Favored 'General case' 1 CA--C 1.665 5.366 1 CA-C-O 130.504 4.954 . . . . 0.0 111.133 165.86 . . . . . . . . 4 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -18.76 28.74 Favored 'General case' 1 C--O 1.352 6.462 3 N-CA-C 126.027 5.566 . . . . 0.0 126.027 173.361 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -90.43 -51.11 5.58 Favored 'General case' 0 CA--C 1.606 3.109 1 CA-C-N 105.004 -5.544 . . . . 0.0 103.855 171.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.24 72.38 0.57 Allowed Glycine 2 C--N 1.445 6.636 1 CA-C-O 108.809 -6.55 . . . . 0.0 118.234 175.68 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -69.77 81.16 0.84 Allowed 'Trans proline' 1 N--CA 1.633 9.681 1 CA-C-N 128.447 6.124 . . . . 0.0 108.444 -164.632 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.457 6.2 mp -146.53 -40.15 0.21 Allowed 'General case' 0 C--N 1.256 -3.46 0 CA-C-O 124.355 2.026 . . . . 0.0 111.057 -168.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . 0.312 16.3 p -140.64 145.88 42.24 Favored Pre-proline 0 N--CA 1.507 2.379 0 O-C-N 116.786 -3.696 . . . . 0.0 110.8 174.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -67.81 108.57 1.7 Allowed 'Trans proline' 1 C--N 1.421 4.362 0 CA-C-N 124.227 2.545 . . . . 0.0 111.885 175.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 53.16 49.65 19.49 Favored 'General case' 1 CA--C 1.641 4.466 1 O-C-N 115.305 -4.622 . . . . 0.0 113.546 166.304 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 4' ' ' CYS 0.392 14.1 t -115.26 3.99 14.38 Favored 'General case' 1 N--CA 1.593 6.707 1 O-C-N 113.988 -5.445 . . . . 0.0 113.441 -169.101 . . . . . . . . 5 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.364 1.4 tmt? -73.3 -44.39 59.21 Favored 'General case' 0 C--N 1.398 2.704 1 O-C-N 131.769 5.668 . . . . 0.0 111.997 170.733 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -60.43 -25.27 65.83 Favored 'General case' 1 C--N 1.475 6.039 0 N-CA-C 121.269 3.803 . . . . 0.0 121.269 174.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 36' ' ' GLN . . . -69.09 -31.93 71.01 Favored 'General case' 0 C--N 1.398 2.691 1 N-CA-C 124.216 4.895 . . . . 0.0 124.216 171.523 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.7 m -60.3 -36.93 79.03 Favored 'General case' 1 CA--C 1.726 7.72 1 CA-C-O 109.676 -4.964 . . . . 0.0 104.577 166.192 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.396 1.2 mp -69.39 -28.94 66.61 Favored 'General case' 0 C--N 1.367 1.354 0 CA-C-N 125.419 3.736 . . . . 0.0 109.966 170.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 51.1 mt-30 -52.16 -53.76 48.71 Favored Pre-proline 1 CA--C 1.639 4.399 0 CA-C-N 123.591 2.905 . . . . 0.0 108.794 164.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.66 -53.02 1.1 Allowed 'Trans proline' 1 N--CA 1.56 5.424 1 CA-C-N 129.621 4.472 . . . . 0.0 115.516 161.779 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.279 50.7 tt0 . . . . . 1 C--O 1.318 4.688 0 CA-C-O 112.083 -3.818 . . . . 0.0 120.726 -175.703 . . . . . . . . 2 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.444 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.429 1.8 t . . . . . 0 CA--C 1.457 -2.632 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.466 2.1 pt-20 -47.53 -61.0 2.13 Favored 'General case' 0 C--N 1.258 -3.392 0 CA-C-O 116.537 -1.697 . . . . 0.0 114.918 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 10' ' ' ARG 0.346 2.3 tp10 -75.94 -64.51 0.53 Allowed Pre-proline 2 N--CA 1.56 5.074 1 CA-C-O 110.83 -4.414 . . . . 0.0 116.937 -175.593 . . . . . . . . 5 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.33 6.3 Cg_endo -56.17 -67.28 0.08 OUTLIER 'Trans proline' 0 C--N 1.291 -2.48 1 CA-C-N 129.752 4.518 . . . . 0.0 118.941 169.661 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.357 90.5 m -70.6 -45.62 64.96 Favored 'General case' 0 N--CA 1.505 2.277 1 N-CA-C 123.874 4.768 . . . . 0.0 123.874 -171.985 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -28.77 65.79 Favored 'General case' 1 CA--C 1.647 4.71 0 CA-C-N 110.908 -2.86 . . . . 0.0 114.894 173.548 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' GLU . 29.1 ttt-85 -63.75 -44.3 93.89 Favored 'General case' 1 C--N 1.436 4.331 0 CA-C-O 114.52 -2.657 . . . . 0.0 107.598 162.083 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -62.63 -37.03 84.72 Favored 'General case' 0 N--CA 1.502 2.141 0 CA-C-N 125.846 3.93 . . . . 0.0 116.677 165.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.424 HH12 HD13 ' A' ' 26' ' ' LEU 0.427 3.8 ptp180 -57.9 -32.43 67.73 Favored 'General case' 1 N--CA 1.576 5.867 0 C-N-CA 117.106 -1.838 . . . . 0.0 110.217 169.731 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.477 8.6 m -49.37 -33.77 14.42 Favored 'General case' 2 N--CA 1.634 8.734 1 N-CA-C 123.679 4.696 . . . . 0.0 123.679 155.332 . . . . . . . . 4 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -66.42 -20.61 66.11 Favored 'General case' 1 N--CA 1.556 4.856 0 O-C-N 126.413 2.321 . . . . 0.0 114.288 165.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.359 55.8 m170 -72.35 -35.57 68.58 Favored 'General case' 1 CA--C 1.659 5.166 1 CA-C-O 111.178 -4.249 . . . . 0.0 106.619 169.493 . . . . . . . . 5 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.366 5.5 tt -54.23 -37.15 50.17 Favored Pre-proline 0 C--N 1.401 2.815 0 N-CA-C 118.871 2.915 . . . . 0.0 118.871 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.301 92.7 Cg_exo -51.56 -31.69 40.91 Favored 'Trans proline' 1 CA--C 1.617 4.651 0 O-C-N 114.917 -3.254 . . . . 0.0 117.2 159.077 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 15' ' ' HIS 0.496 3.7 pp -82.98 -57.09 3.44 Favored 'General case' 0 CA--C 1.607 3.168 0 CA-C-N 118.153 0.433 . . . . 0.0 110.707 171.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.424 19.1 tt0 68.96 23.05 6.79 Favored 'General case' 0 CA--C 1.562 1.426 0 O-C-N 128.07 3.356 . . . . 0.0 119.307 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.276 16.6 p90 -91.07 -35.63 14.49 Favored 'General case' 1 N--CA 1.574 5.742 0 O-C-N 120.499 -1.376 . . . . 0.0 111.754 173.009 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.2 t -82.13 52.82 2.08 Favored 'General case' 0 C--O 1.299 3.701 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 161.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.339 0.0 OUTLIER -79.28 -35.15 41.77 Favored 'General case' 2 N--CA 1.578 5.96 0 N-CA-C 121.176 3.769 . . . . 0.0 121.176 179.649 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.3 p -74.76 -51.99 12.67 Favored 'General case' 0 C--N 1.294 -1.819 2 CA-C-N 102.26 -6.791 . . . . 0.0 105.045 169.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.38 71.96 0.7 Allowed Glycine 1 C--N 1.561 13.044 1 CA-C-O 109.717 -6.046 . . . . 0.0 112.83 173.756 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.83 74.32 0.66 Allowed 'Trans proline' 2 N--CA 1.615 8.649 1 CA-C-N 133.853 8.827 . . . . 0.0 114.907 -173.433 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.63 ' CB ' ' CA ' ' A' ' 26' ' ' LEU 0.354 6.0 mp -146.15 -37.89 0.24 Allowed 'General case' 0 C--N 1.425 3.856 0 CA-C-N 120.934 1.697 . . . . 0.0 113.685 -170.292 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 15.6 p -139.97 146.92 48.83 Favored Pre-proline 1 C--O 1.309 4.213 0 C-N-CA 114.49 -2.884 . . . . 0.0 111.226 169.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.472 ' O ' ' HB3' ' A' ' 29' ' ' ALA 0.378 10.3 Cg_endo -73.58 100.39 1.25 Allowed 'Trans proline' 3 CA--C 1.726 10.108 0 CA-C-N 122.938 2.085 . . . . 0.0 112.659 -172.867 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.662 ' C ' ' CA ' ' A' ' 30' ' ' CYS . . . 67.64 30.81 6.37 Favored 'General case' 0 N--CA 1.529 3.513 0 C-N-CA 117.237 -1.785 . . . . 0.0 114.645 172.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 1.515 ' N ' ' CA ' ' A' ' 30' ' ' CYS 0.29 18.1 t -101.08 6.76 43.44 Favored 'General case' 1 N--CA 1.696 11.862 0 CA-C-N 123.999 3.09 . . . . 0.0 115.617 -167.154 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.367 1.5 tmt? -81.43 -41.79 21.33 Favored 'General case' 1 CA--C 1.661 5.216 1 CA-C-O 102.778 -8.248 . . . . 0.0 105.851 176.429 . . . . . . . . 4 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -64.05 -36.92 85.57 Favored 'General case' 1 CA--C 1.654 4.973 1 O-C-N 131.021 5.201 . . . . 0.0 110.498 179.34 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' GLN . . . -55.69 -41.63 74.03 Favored 'General case' 0 C--N 1.398 2.675 0 C-N-CA 129.103 2.961 . . . . 0.0 117.114 -177.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -55.76 -36.43 67.32 Favored 'General case' 1 CA--C 1.673 5.681 1 CA-C-O 110.816 -4.421 . . . . 0.0 104.792 168.364 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.516 3.5 mp -70.7 -33.25 70.68 Favored 'General case' 0 CA--C 1.602 2.945 0 O-C-N 126.753 2.533 . . . . 0.0 111.637 172.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 33' ' ' ALA 0.354 40.2 mt-30 -39.17 -58.03 1.98 Allowed Pre-proline 0 CA--C 1.61 3.27 0 C-N-CA 117.894 -1.522 . . . . 0.0 114.019 158.418 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -72.62 -44.8 0.64 Allowed 'Trans proline' 1 CA--C 1.63 5.317 0 CA-C-N 126.329 3.296 . . . . 0.0 114.68 165.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.426 48.5 tt0 . . . . . 1 CA--C 1.667 5.445 1 CA-C-O 108.456 -5.545 . . . . 0.0 114.652 -178.108 . . . . . . . . 3 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.225 -0.234 1 CA-C-O 111.666 -4.016 . . . . 0.0 116.532 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.49 ' HA ' ' HB2' ' A' ' 9' ' ' CYS 0.389 4.6 pt-20 -50.58 -52.47 38.85 Favored 'General case' 1 C--N 1.432 4.192 1 O-C-N 129.328 4.142 . . . . 0.0 118.76 175.278 . . . . . . . . 5 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.317 1.0 OUTLIER -80.7 -58.59 0.53 Allowed Pre-proline 0 C--N 1.401 2.837 0 O-C-N 118.113 -2.867 . . . . 0.0 112.454 -169.164 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -64.62 -61.18 0.11 Allowed 'Trans proline' 1 C--N 1.482 7.591 1 O-C-N 112.349 -4.606 . . . . 0.0 117.84 171.482 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.279 87.2 m -78.47 -46.45 19.67 Favored 'General case' 1 N--CA 1.589 6.519 0 C-N-CA 126.776 2.031 . . . . 0.0 115.617 -164.705 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 5' ' ' GLU . 0.5 OUTLIER -66.58 -37.09 84.2 Favored 'General case' 0 C--O 1.279 2.618 1 O-C-N 130.62 4.95 . . . . 0.0 108.069 175.524 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.487 ' O ' ' HB ' ' A' ' 13' ' ' THR . 22.9 ttt-85 -57.59 -41.9 82.12 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-O 117.991 -1.005 . . . . 0.0 112.664 164.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -66.02 -35.34 80.3 Favored 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 167.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.584 HH12 HD13 ' A' ' 26' ' ' LEU 0.644 1.8 ptp180 -53.76 -41.87 67.61 Favored 'General case' 0 CA--C 1.578 2.056 0 CA-C-O 112.52 -3.61 . . . . 0.0 108.049 162.427 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' ' 10' ' ' ARG 0.406 23.3 m -49.06 -29.05 4.6 Favored 'General case' 2 N--CA 1.617 7.919 0 N-CA-C 120.904 3.668 . . . . 0.0 120.904 160.597 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.31 0.3 OUTLIER -65.83 -34.7 78.76 Favored 'General case' 0 N--CA 1.531 3.601 1 O-C-N 132.114 5.884 . . . . 0.0 110.758 161.681 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.434 ' C ' ' CA ' ' A' ' 16' ' ' LEU 0.307 51.0 m170 -65.77 -35.73 81.54 Favored 'General case' 0 N--CA 1.514 2.738 0 O-C-N 118.14 -2.85 . . . . 0.0 106.279 174.365 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.532 ' CA ' ' N ' ' A' ' 16' ' ' LEU 0.266 2.2 tt -52.04 -34.35 15.03 Favored Pre-proline 2 N--CA 1.697 11.879 0 N-CA-C 119.328 3.084 . . . . 0.0 119.328 178.514 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.462 51.4 Cg_exo -50.69 -29.46 25.76 Favored 'Trans proline' 0 C--N 1.397 3.103 1 N-CA-C 123.46 4.369 . . . . 0.0 123.46 153.038 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.454 3.7 pp -88.4 -52.08 5.38 Favored 'General case' 2 N--CA 1.544 4.265 0 O-C-N 127.983 3.302 . . . . 0.0 112.546 164.132 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 65.03 30.54 11.69 Favored 'General case' 1 CA--C 1.649 4.769 1 C-N-CA 133.111 4.564 . . . . 0.0 111.503 176.228 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.364 42.3 p90 -90.2 -40.56 12.12 Favored 'General case' 0 C--O 1.275 2.409 0 O-C-N 118.412 -2.68 . . . . 0.0 110.574 169.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.4 t -77.03 42.28 0.31 Allowed 'General case' 1 CA--C 1.659 5.138 0 O-C-N 127.79 3.181 . . . . 0.0 118.654 165.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.36 0.0 OUTLIER -78.99 -38.2 37.37 Favored 'General case' 0 C--O 1.293 3.383 0 CA-C-O 115.917 -1.992 . . . . 0.0 113.398 -170.021 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -72.42 -35.46 68.36 Favored 'General case' 0 CA--C 1.607 3.157 1 CA-C-O 108.543 -5.503 . . . . 0.0 111.663 165.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 44.82 80.72 0.04 OUTLIER Glycine 0 C--N 1.393 3.732 1 CA-C-O 109.182 -6.343 . . . . 0.0 112.556 172.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.318 4.2 Cg_exo -63.65 72.91 0.16 Allowed 'Trans proline' 0 C--N 1.389 2.68 1 CA-C-N 131.288 7.544 . . . . 0.0 119.011 -177.953 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.584 HD13 HH12 ' A' ' 12' ' ' ARG . 3.0 mp -143.29 -45.49 0.29 Allowed 'General case' 1 N--CA 1.586 6.368 1 CA-C-O 109.568 -5.015 . . . . 0.0 110.996 -168.468 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.324 26.5 p -132.01 149.24 72.74 Favored Pre-proline 0 C--O 1.203 -1.384 0 CA-C-N 123.274 2.761 . . . . 0.0 107.052 176.672 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.332 6.7 Cg_endo -76.74 87.78 1.44 Allowed 'Trans proline' 2 CA--C 1.655 6.529 0 O-C-N 113.583 -3.956 . . . . 0.0 109.284 178.363 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 78.47 21.89 0.76 Allowed 'General case' 0 N--CA 1.531 3.594 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 166.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.477 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.251 10.7 t -87.98 3.83 47.25 Favored 'General case' 1 N--CA 1.581 6.088 2 CA-C-O 128.812 4.149 . . . . 0.0 122.146 -167.7 . . . . . . . . 5 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -80.2 -46.19 16.74 Favored 'General case' 0 CA--C 1.602 2.971 1 CA-C-O 106.127 -6.654 . . . . 0.0 106.883 174.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -53.76 -44.0 69.64 Favored 'General case' 2 CA--C 1.65 4.801 1 CA-C-N 127.887 4.858 . . . . 0.0 112.254 178.522 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.2 54.53 Favored 'General case' 1 N--CA 1.551 4.613 1 CA-C-O 110.286 -4.673 . . . . 0.0 115.004 -175.363 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -51.77 -43.22 62.92 Favored 'General case' 0 N--CA 1.429 -1.515 1 O-C-N 129.825 4.453 . . . . 0.0 113.466 163.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.731 4.6 mp -59.27 -30.21 68.13 Favored 'General case' 1 N--CA 1.633 8.678 0 C-N-CA 127.414 2.286 . . . . 0.0 113.855 164.144 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -55.24 -45.73 99.8 Favored Pre-proline 2 CA--C 1.704 6.892 1 CA-C-O 110.419 -4.61 . . . . 0.0 109.75 167.263 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -74.62 -48.08 0.2 Allowed 'Trans proline' 1 CA--C 1.628 5.189 0 CA-C-N 126.025 3.187 . . . . 0.0 113.425 163.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.465 46.4 tt0 . . . . . 2 C--N 1.486 6.536 1 CA-C-O 110.296 -4.669 . . . . 0.0 107.559 -177.021 . . . . . . . . 3 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.9 t . . . . . 0 C--O 1.285 2.968 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.563 ' HA ' ' HB2' ' A' ' 9' ' ' CYS . 3.3 pt-20 -47.98 -54.03 14.22 Favored 'General case' 2 C--N 1.459 5.334 0 CA-C-O 114.176 -2.821 . . . . 0.0 112.211 -176.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.506 0.9 OUTLIER -75.22 -63.79 0.66 Allowed Pre-proline 2 C--N 1.448 4.89 0 CA-C-N 123.838 3.017 . . . . 0.0 109.819 -170.686 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -68.72 -66.16 0.04 OUTLIER 'Trans proline' 2 N--CA 1.551 4.858 1 O-C-N 113.333 -4.088 . . . . 0.0 113.968 177.972 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.1 m -76.98 -43.47 34.82 Favored 'General case' 0 N--CA 1.536 3.871 1 CA-C-O 110.924 -4.37 . . . . 0.0 119.371 -166.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.563 ' HB2' ' HA ' ' A' ' 5' ' ' GLU 0.312 1.3 m -48.07 -50.95 26.37 Favored 'General case' 0 N--CA 1.525 3.301 1 O-C-N 130.212 4.695 . . . . 0.0 111.487 162.528 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.541 ' O ' ' HB ' ' A' ' 13' ' ' THR . 26.7 ttt-85 -55.87 -36.28 67.41 Favored 'General case' 2 CA--C 1.644 4.591 0 O-C-N 118.298 -2.751 . . . . 0.0 111.949 167.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.502 ' O ' ' HB2' ' A' ' 14' ' ' ARG 0.279 42.1 m-80 -70.41 -36.87 74.29 Favored 'General case' 0 N--CA 1.502 2.137 0 CA-C-O 112.835 -3.46 . . . . 0.0 112.406 171.024 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.68 HH12 HD13 ' A' ' 26' ' ' LEU 0.501 3.2 ptp180 -58.39 -30.68 67.01 Favored 'General case' 0 C--N 1.384 2.07 0 O-C-N 126.472 2.358 . . . . 0.0 110.425 166.515 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 1.533 ' CA ' ' C ' ' A' ' 13' ' ' THR . 54.7 m -60.72 -27.29 67.8 Favored 'General case' 2 CA--C 1.753 8.757 1 O-C-N 115.737 -4.352 . . . . 0.0 115.279 166.536 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -68.93 -32.39 71.96 Favored 'General case' 1 CA--C 1.636 4.281 0 CA-C-O 114.207 -2.806 . . . . 0.0 112.586 160.213 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 23.2 m170 -60.2 -25.61 65.73 Favored 'General case' 0 CA--C 1.585 2.302 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 164.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.4 ' CA ' ' N ' ' A' ' 16' ' ' LEU . 1.3 tt -56.23 -29.47 5.9 Favored Pre-proline 2 N--CA 1.85 19.534 1 CA-C-O 111.124 -4.274 . . . . 0.0 114.593 176.415 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.301 19.0 Cg_exo -59.91 -32.89 95.87 Favored 'Trans proline' 1 N--CA 1.537 4.051 2 C-N-CA 129.586 6.857 . . . . 0.0 117.179 159.086 . . . . . . . . 4 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -87.12 -46.94 9.31 Favored 'General case' 0 N--CA 1.527 3.391 1 CA-C-O 110.507 -4.568 . . . . 0.0 112.374 162.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.429 7.3 tt0 69.35 7.52 6.28 Favored 'General case' 0 C--N 1.372 1.546 1 O-C-N 129.59 4.306 . . . . 0.0 115.516 173.976 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -78.64 -26.06 45.1 Favored 'General case' 0 C--N 1.406 3.028 0 N-CA-C 119.513 3.153 . . . . 0.0 119.513 170.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.6 t -91.69 47.78 1.39 Allowed 'General case' 0 CA--C 1.627 3.908 1 O-C-N 130.452 4.845 . . . . 0.0 112.186 168.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -92.9 -16.76 24.83 Favored 'General case' 0 C--O 1.177 -2.727 0 CA-C-N 125.657 3.844 . . . . 0.0 115.912 -169.545 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.298 2.7 p -86.11 -36.39 19.62 Favored 'General case' 0 CA--C 1.623 3.768 0 C-N-CA 129.762 3.225 . . . . 0.0 107.892 159.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 33.53 76.78 0.04 OUTLIER Glycine 1 CA--C 1.591 4.823 2 CA-C-O 110.454 -5.637 . . . . 0.0 123.798 -175.543 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -58.82 79.54 0.05 OUTLIER 'Trans proline' 0 CA--C 1.584 2.975 1 CA-C-N 125.698 4.749 . . . . 0.0 116.625 -172.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.68 HD13 HH12 ' A' ' 12' ' ' ARG 0.379 4.6 mp -146.14 -40.82 0.21 Allowed 'General case' 1 CA--C 1.629 4.016 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -169.757 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.392 14.3 p -137.31 151.42 71.45 Favored Pre-proline 0 C--N 1.401 2.81 0 N-CA-C 105.278 -2.119 . . . . 0.0 105.278 178.227 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -78.11 90.31 1.27 Allowed 'Trans proline' 2 CA--C 1.413 -5.561 1 C-N-CA 126.331 4.687 . . . . 0.0 111.251 167.081 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.279 . . 65.63 32.27 9.29 Favored 'General case' 0 CA--C 1.604 3.054 0 O-C-N 117.254 -3.404 . . . . 0.0 114.761 165.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.488 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.431 10.9 t -80.67 -6.35 58.25 Favored 'General case' 1 CA--C 1.673 5.693 0 C-N-CA 127.527 2.331 . . . . 0.0 116.481 -175.066 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.95 -58.44 3.32 Favored 'General case' 0 N--CA 1.506 2.34 0 CA-C-O 116.421 -1.752 . . . . 0.0 110.954 169.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -41.98 -41.86 2.64 Favored 'General case' 0 N--CA 1.53 3.548 2 O-C-N 114.003 -5.435 . . . . 0.0 121.443 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HA ' ' HG3' ' A' ' 36' ' ' GLN . . . -58.46 -28.59 65.47 Favored 'General case' 0 N--CA 1.505 2.282 1 C-N-CA 132.682 4.393 . . . . 0.0 120.721 178.012 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 5' ' ' GLU 0.289 6.0 m -62.12 -41.95 98.75 Favored 'General case' 0 CA--C 1.585 2.324 0 C-N-CA 129.203 3.001 . . . . 0.0 114.019 159.173 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.661 5.0 mp -58.1 -21.8 47.83 Favored 'General case' 2 CA--C 1.712 7.19 0 O-C-N 127.295 2.872 . . . . 0.0 113.642 165.192 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.424 ' HG3' ' HA ' ' A' ' 33' ' ' ALA 0.448 21.7 mt-30 -59.75 -50.26 87.65 Favored Pre-proline 2 N--CA 1.593 6.706 1 CA-C-O 111.324 -4.179 . . . . 0.0 104.748 169.111 . . . . . . . . 5 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.374 2.7 Cg_exo -67.61 -55.71 0.26 Allowed 'Trans proline' 1 C--N 1.426 4.627 1 C-N-CA 129.082 6.521 . . . . 0.0 111.785 164.996 . . . . . . . . 4 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.398 42.6 tt0 . . . . . 1 C--N 1.471 5.888 1 CA-C-O 111.47 -4.109 . . . . 0.0 113.26 -172.189 . . . . . . . . 3 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.2 t . . . . . 0 CA--C 1.629 4.0 0 CA-C-O 123.201 1.477 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.375 4.8 pt-20 -56.15 -59.53 4.8 Favored 'General case' 0 C--N 1.412 3.289 0 CA-C-N 111.214 -2.721 . . . . 0.0 117.829 -177.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.388 0.6 OUTLIER -72.47 -57.14 3.61 Favored Pre-proline 0 C--O 1.175 -2.864 1 CA-C-O 111.144 -4.265 . . . . 0.0 110.939 -178.266 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -72.92 -64.25 0.03 OUTLIER 'Trans proline' 1 N--CA 1.65 10.704 1 CA-C-N 132.09 5.354 . . . . 0.0 120.191 174.389 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.6 m -72.54 -43.48 63.44 Favored 'General case' 0 N--CA 1.519 2.989 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 -170.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.56 -45.48 86.89 Favored 'General case' 0 CA--C 1.482 -1.645 0 CA-C-O 116.912 -1.518 . . . . 0.0 113.605 169.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.9 ttt-85 -52.97 -37.97 61.71 Favored 'General case' 2 CA--C 1.674 5.742 0 N-CA-C 104.338 -2.467 . . . . 0.0 104.338 167.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.518 55.0 m-80 -71.38 -34.28 70.28 Favored 'General case' 1 N--CA 1.55 4.541 0 O-C-N 118.964 -2.335 . . . . 0.0 112.952 170.042 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.525 HH12 HD13 ' A' ' 26' ' ' LEU 0.592 0.5 OUTLIER -57.47 -36.72 71.81 Favored 'General case' 0 N--CA 1.519 3.0 0 CA-C-O 124.502 2.096 . . . . 0.0 111.584 163.874 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.549 33.2 m -52.55 -30.54 31.21 Favored 'General case' 2 CA--C 1.682 6.034 1 O-C-N 115.748 -4.345 . . . . 0.0 110.655 163.31 . . . . . . . . 4 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.282 0.1 OUTLIER -73.25 -30.47 63.47 Favored 'General case' 0 CA--C 1.573 1.864 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.936 165.236 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 1.396 ' C ' ' CA ' ' A' ' 15' ' ' HIS 0.393 7.1 m170 -63.34 -25.82 68.48 Favored 'General case' 1 CA--C 1.899 14.39 0 N-CA-C 104.454 -2.424 . . . . 0.0 104.454 172.737 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.9 -38.87 64.94 Favored Pre-proline 1 N--CA 1.546 4.367 0 CA-C-O 113.063 -3.351 . . . . 0.0 107.473 -168.552 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -53.84 -34.61 76.29 Favored 'Trans proline' 1 N--CA 1.583 6.787 2 N-CA-C 125.998 5.345 . . . . 0.0 125.998 159.566 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 20' ' ' PHE 0.414 2.7 pp -78.52 -60.82 2.22 Favored 'General case' 2 N--CA 1.582 6.143 0 CA-C-O 127.238 3.399 . . . . 0.0 104.708 164.774 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 75.93 14.77 2.57 Favored 'General case' 1 N--CA 1.564 5.269 0 O-C-N 117.46 -3.275 . . . . 0.0 117.206 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.401 ' CD1' HD13 ' A' ' 18' ' ' LEU 0.318 25.4 p90 -78.31 -27.52 47.22 Favored 'General case' 0 C--N 1.39 2.348 0 O-C-N 118.07 -2.894 . . . . 0.0 117.087 167.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.0 t -103.41 49.77 0.82 Allowed 'General case' 1 N--CA 1.542 4.171 0 O-C-N 120.937 -1.102 . . . . 0.0 109.732 171.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.368 0.0 OUTLIER -67.09 -16.03 64.08 Favored 'General case' 1 C--O 1.316 4.558 1 N-CA-C 127.171 5.989 . . . . 0.0 127.171 164.591 . . . . . . . . 5 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 p -99.3 -49.32 4.5 Favored 'General case' 0 CA--C 1.618 3.57 0 CA-C-N 110.632 -2.986 . . . . 0.0 115.218 163.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 41.27 86.39 0.01 OUTLIER Glycine 0 CA--C 1.573 3.677 1 O-C-N 132.242 5.964 . . . . 0.0 110.032 174.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.398 60.6 Cg_endo -49.87 68.03 0.02 OUTLIER 'Trans proline' 1 CA--C 1.695 8.571 2 C-N-CA 128.512 6.142 . . . . 0.0 122.845 170.726 . . . . . . . . 4 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD13 HH12 ' A' ' 12' ' ' ARG . 1.7 mp -134.74 -35.52 0.87 Allowed 'General case' 0 N--CA 1.524 3.239 1 C-N-CA 132.126 4.17 . . . . 0.0 121.183 -178.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.714 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.456 19.4 p -155.08 137.86 10.35 Favored Pre-proline 0 C--O 1.193 -1.905 1 CA-C-O 131.658 5.504 . . . . 0.0 105.629 -165.093 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.48 105.64 1.06 Allowed 'Trans proline' 1 N--CA 1.649 10.653 3 CA-C-O 133.828 5.679 . . . . 0.0 98.124 -178.615 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 38.16 44.29 0.65 Allowed 'General case' 1 N--CA 1.601 7.105 1 O-C-N 109.696 -8.127 . . . . 0.0 117.36 172.894 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.714 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.455 50.3 t -79.25 -7.4 58.24 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 111.838 -3.934 . . . . 0.0 112.037 175.586 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.522 ' SD ' ' C ' ' A' ' 31' ' ' MET . 0.0 OUTLIER -76.43 -36.65 57.87 Favored 'General case' 2 N--CA 1.664 10.236 1 CA-C-N 129.779 5.718 . . . . 0.0 116.451 169.614 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.457 25.5 pttt -56.87 -48.78 77.34 Favored 'General case' 0 N--CA 1.52 3.062 0 O-C-N 120.338 -1.476 . . . . 0.0 111.127 176.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.269 . . -48.7 -28.12 3.36 Favored 'General case' 0 CA--C 1.589 2.448 0 CA-C-O 128.491 3.996 . . . . 0.0 121.709 172.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.319 1.0 OUTLIER -70.82 -38.82 73.28 Favored 'General case' 0 N--CA 1.521 3.118 1 O-C-N 115.646 -4.409 . . . . 0.0 115.422 170.124 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.375 3.1 mp -60.7 -27.08 67.62 Favored 'General case' 0 CA--C 1.428 -3.722 1 CA-C-O 109.608 -4.996 . . . . 0.0 106.376 166.896 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.29 29.2 mt-30 -50.33 -49.18 78.28 Favored Pre-proline 1 N--CA 1.545 4.295 1 CA-C-N 129.84 5.746 . . . . 0.0 108.715 170.716 . . . . . . . . 4 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.264 2.9 Cg_exo -70.0 -47.99 0.75 Allowed 'Trans proline' 0 CA--C 1.579 2.766 0 CA-C-N 125.476 2.992 . . . . 0.0 112.303 166.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.318 18.3 tt0 . . . . . 1 N--CA 1.54 4.044 1 O-C-N 114.846 -4.909 . . . . 0.0 100.719 -166.276 . . . . . . . . 3 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.287 3.04 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.282 9.8 pt-20 -57.55 -70.89 0.11 Allowed 'General case' 0 N--CA 1.53 3.564 1 CA-C-O 110.384 -4.627 . . . . 0.0 110.205 -173.899 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.308 51.6 tp10 -60.41 -63.7 3.96 Favored Pre-proline 0 N--CA 1.537 3.9 1 CA-C-O 111.67 -4.014 . . . . 0.0 112.74 -163.305 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.265 8.1 Cg_endo -72.9 -55.59 0.1 OUTLIER 'Trans proline' 0 N--CA 1.424 -2.599 1 CA-C-O 108.047 -5.064 . . . . 0.0 121.163 172.839 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.253 8.4 m -71.86 -36.84 70.25 Favored 'General case' 0 CA--C 1.601 2.917 0 CA-C-N 124.025 3.102 . . . . 0.0 118.96 -171.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.455 ' SG ' ' NE ' ' A' ' 12' ' ' ARG 0.521 19.1 m -66.79 -27.67 67.76 Favored 'General case' 1 CA--C 1.642 4.495 0 CA-C-N 110.618 -2.992 . . . . 0.0 114.87 170.554 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -64.67 -46.96 80.23 Favored 'General case' 1 N--CA 1.613 7.72 0 O-C-N 118.684 -2.51 . . . . 0.0 107.821 173.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -68.93 -28.23 66.47 Favored 'General case' 0 C--N 1.363 1.174 0 O-C-N 120.902 -1.124 . . . . 0.0 112.899 172.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.455 ' NE ' ' SG ' ' A' ' 9' ' ' CYS 0.378 0.1 OUTLIER -72.76 -28.14 62.44 Favored 'General case' 1 N--CA 1.568 5.451 1 CA-C-O 106.651 -6.404 . . . . 0.0 108.68 164.951 . . . . . . . . 6 4 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.459 44.1 m -59.52 -31.17 69.13 Favored 'General case' 2 C--N 1.238 -4.256 1 CA-C-N 127.969 4.895 . . . . 0.0 115.529 159.156 . . . . . . . . 4 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 1.525 ' C ' ' CA ' ' A' ' 14' ' ' ARG 0.445 2.7 mpt_? -66.46 -32.42 73.78 Favored 'General case' 2 CA--C 1.771 9.476 1 CA-C-O 110.494 -4.574 . . . . 0.0 102.504 162.025 . . . . . . . . 5 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.519 66.6 m170 -47.89 -33.84 8.09 Favored 'General case' 0 C--N 1.37 1.477 0 CA-C-N 123.167 2.712 . . . . 0.0 117.511 162.439 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -49.0 96.45 Favored Pre-proline 0 CA--C 1.486 -1.502 0 O-C-N 117.964 -2.96 . . . . 0.0 112.233 -167.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.445 3.6 Cg_exo -46.48 -68.99 0.09 OUTLIER 'Trans proline' 2 C--N 1.442 5.468 1 O-C-N 112.4 -4.579 . . . . 0.0 115.631 165.748 . . . . . . . . 4 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 19' ' ' GLN 0.384 4.5 pp -44.93 -46.18 10.85 Favored 'General case' 2 C--N 1.516 7.821 0 C-N-CA 126.103 1.761 . . . . 0.0 111.684 174.399 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.49 ' N ' HD12 ' A' ' 18' ' ' LEU 0.34 0.1 OUTLIER 55.0 14.98 1.03 Allowed 'General case' 0 C--O 1.285 2.925 1 N-CA-C 133.115 8.191 . . . . 0.0 133.115 174.117 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -92.25 -3.15 55.9 Favored 'General case' 2 CA--C 1.666 5.439 0 O-C-N 120.135 -1.603 . . . . 0.0 110.15 166.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.56 36.37 2.19 Favored 'General case' 0 N--CA 1.536 3.842 1 N-CA-C 122.315 4.191 . . . . 0.0 122.315 166.009 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.251 0.0 OUTLIER -62.3 -23.11 66.55 Favored 'General case' 1 C--O 1.306 4.063 1 CA-C-N 106.76 -4.746 . . . . 0.0 119.681 179.967 . . . . . . . . 5 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.454 17.7 p -91.86 -69.84 0.72 Allowed 'General case' 0 CA--C 1.438 -3.353 0 C-N-CA 129.525 3.13 . . . . 0.0 112.66 162.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.0 85.61 0.08 OUTLIER Glycine 1 C--N 1.427 5.63 0 CA-C-O 115.236 -2.98 . . . . 0.0 109.289 171.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -73.49 81.31 1.82 Allowed 'Trans proline' 1 CA--C 1.638 5.716 1 O-C-N 129.87 4.616 . . . . 0.0 117.196 179.514 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.546 ' CG ' ' CB ' ' A' ' 26' ' ' LEU . 5.1 mp -138.23 -78.22 0.36 Allowed 'General case' 1 CA--C 1.713 7.216 2 C-N-CA 133.753 4.821 . . . . 0.0 98.062 -175.304 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 22.3 p -125.47 162.34 45.05 Favored Pre-proline 0 N--CA 1.516 2.851 0 O-C-N 128.366 3.541 . . . . 0.0 120.428 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.298 7.1 Cg_endo -76.92 79.12 3.19 Favored 'Trans proline' 1 CA--C 1.648 6.2 0 C-N-CA 123.594 2.863 . . . . 0.0 116.323 -173.057 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.427 . . 48.89 43.28 21.44 Favored 'General case' 2 N--CA 1.602 7.133 0 CA-C-O 126.082 2.849 . . . . 0.0 117.118 177.846 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.58 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.338 8.6 t -74.57 -7.34 52.81 Favored 'General case' 0 C--N 1.282 -2.365 1 CA-C-N 106.446 -4.888 . . . . 0.0 113.218 171.59 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -74.36 -49.32 23.23 Favored 'General case' 0 N--CA 1.414 -2.27 1 CA-C-O 110.547 -4.549 . . . . 0.0 104.433 173.381 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -63.07 -5.2 2.83 Favored 'General case' 1 N--CA 1.551 4.6 2 CA-C-N 127.553 4.706 . . . . 0.0 118.255 175.521 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.325 . . -83.14 -39.71 20.71 Favored 'General case' 0 N--CA 1.53 3.565 1 CA-C-O 111.03 -4.319 . . . . 0.0 112.945 166.059 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.7 m -47.3 -39.17 14.07 Favored 'General case' 0 N--CA 1.529 3.506 1 CA-C-O 109.941 -4.838 . . . . 0.0 113.75 168.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.269 5.1 mp -55.91 -38.98 70.95 Favored 'General case' 0 CA--C 1.611 3.292 1 O-C-N 132.834 6.334 . . . . 0.0 121.263 168.031 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.58 -52.84 62.24 Favored Pre-proline 0 CA--C 1.6 2.875 1 CA-C-N 126.953 4.433 . . . . 0.0 109.356 -176.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -57.68 -26.08 71.16 Favored 'Trans proline' 0 C--N 1.409 3.741 1 O-C-N 111.638 -4.98 . . . . 0.0 115.177 164.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.299 3.2 pt-20 . . . . . 0 N--CA 1.493 1.706 0 CA-C-N 125.67 3.85 . . . . 0.0 109.19 167.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.315 9.6 t . . . . . 1 CA--C 1.727 7.752 0 CA-C-O 114.168 -2.825 . . . . 0.0 107.36 . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.502 7.2 pt-20 -44.23 -74.4 0.04 OUTLIER 'General case' 1 C--N 1.45 4.948 0 N-CA-C 119.374 3.101 . . . . 0.0 119.374 -177.534 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.459 51.5 tp10 -57.49 -65.34 1.84 Allowed Pre-proline 1 C--N 1.49 6.716 0 CA-C-O 115.756 -2.069 . . . . 0.0 111.779 -167.59 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -75.8 -58.18 0.05 OUTLIER 'Trans proline' 0 N--CA 1.531 3.732 1 CA-C-O 107.232 -5.403 . . . . 0.0 120.48 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.257 6.3 m -67.06 -40.08 87.01 Favored 'General case' 0 C--N 1.39 2.338 0 CA-C-N 125.176 3.625 . . . . 0.0 112.899 -172.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.531 ' SG ' ' NE ' ' A' ' 12' ' ' ARG 0.495 33.4 m -65.24 -32.37 74.01 Favored 'General case' 1 CA--C 1.666 5.423 0 C-N-CA 130.731 3.612 . . . . 0.0 113.829 175.501 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.301 34.1 ttt-85 -65.46 -59.04 4.41 Favored 'General case' 0 N--CA 1.53 3.536 0 CA-C-O 115.101 -2.38 . . . . 0.0 110.593 170.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -52.3 -37.41 55.68 Favored 'General case' 1 N--CA 1.666 10.369 0 O-C-N 126.506 2.379 . . . . 0.0 109.686 165.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.531 ' NE ' ' SG ' ' A' ' 9' ' ' CYS 0.824 1.2 ttp-105 -54.82 -40.16 69.25 Favored 'General case' 0 C--O 1.178 -2.694 0 N-CA-C 117.978 2.585 . . . . 0.0 117.978 162.524 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.358 45.1 m -63.67 -25.21 68.11 Favored 'General case' 1 N--CA 1.554 4.74 0 O-C-N 117.752 -3.092 . . . . 0.0 111.1 166.684 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -72.54 -25.01 61.21 Favored 'General case' 1 CA--C 1.685 6.141 0 O-C-N 117.118 -3.489 . . . . 0.0 108.58 164.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.3 59.2 m170 -54.26 -25.0 20.94 Favored 'General case' 1 C--N 1.428 4.001 0 O-C-N 119.497 -2.002 . . . . 0.0 114.38 161.908 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.269 0.2 OUTLIER -53.42 -56.67 22.21 Favored Pre-proline 0 N--CA 1.49 1.54 1 CA-C-O 107.788 -5.863 . . . . 0.0 112.182 -175.797 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -54.41 -56.09 2.8 Favored 'Trans proline' 1 CA--C 1.693 8.459 1 CA-C-O 110.177 -4.176 . . . . 0.0 117.763 175.423 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 19' ' ' GLN 0.578 4.5 pp -44.46 -44.69 8.68 Favored 'General case' 0 C--N 1.413 3.368 1 O-C-N 131.879 5.737 . . . . 0.0 119.645 169.643 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.453 ' N ' HD12 ' A' ' 18' ' ' LEU 0.406 0.4 OUTLIER 63.83 3.11 1.5 Allowed 'General case' 1 CA--C 1.662 5.277 1 N-CA-C 125.388 5.329 . . . . 0.0 125.388 163.383 . . . . . . . . 6 4 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.319 11.9 p90 -79.67 -14.88 58.47 Favored 'General case' 1 CA--C 1.657 5.062 0 CA-C-O 117.089 -1.434 . . . . 0.0 114.644 166.929 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.07 46.25 0.93 Allowed 'General case' 2 N--CA 1.564 5.234 0 CA-C-O 127.059 3.314 . . . . 0.0 116.015 169.154 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HD2' ' O ' ' A' ' 19' ' ' GLN 0.593 0.0 OUTLIER -56.65 -34.84 67.72 Favored 'General case' 1 N--CA 1.543 4.213 0 CA-C-N 110.36 -3.109 . . . . 0.0 116.796 172.587 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 p -109.49 -66.49 1.06 Allowed 'General case' 0 CA--C 1.619 3.6 3 O-C-N 130.698 4.999 . . . . 0.0 98.088 -170.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.79 103.27 0.02 OUTLIER Glycine 3 CA--C 1.609 5.914 1 N-CA-C 101.832 -4.507 . . . . 0.0 101.832 166.978 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -94.55 84.44 0.13 Allowed 'Trans proline' 1 C--N 1.449 5.817 0 C-N-CA 124.025 3.15 . . . . 0.0 109.99 -178.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -137.1 -75.05 0.42 Allowed 'General case' 1 CA--C 1.645 4.613 1 N-CA-C 96.423 -5.399 . . . . 0.0 96.423 172.538 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.421 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 31.9 p -118.36 163.29 25.95 Favored Pre-proline 0 CA--C 1.462 -2.44 2 O-C-N 112.207 -6.558 . . . . 0.0 112.821 -167.795 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -82.89 76.02 4.25 Favored 'Trans proline' 2 N--CA 1.652 10.821 0 O-C-N 115.025 -3.197 . . . . 0.0 117.013 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.47 . . 60.63 39.42 17.78 Favored 'General case' 2 N--CA 1.648 9.452 1 CA-C-O 135.543 7.354 . . . . 0.0 116.442 170.845 . . . . . . . . 4 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.421 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.544 17.1 t -79.32 -3.13 44.66 Favored 'General case' 1 CA--C 1.646 4.646 1 CA-C-N 105.223 -5.444 . . . . 0.0 109.386 176.551 . . . . . . . . 5 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -53.78 18.07 Favored 'General case' 0 C--O 1.185 -2.312 0 N-CA-C 103.057 -2.942 . . . . 0.0 103.057 171.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -55.71 -25.44 40.15 Favored 'General case' 0 CA--C 1.623 3.755 1 CA-C-N 128.113 4.96 . . . . 0.0 113.35 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.518 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.364 . . -63.26 -45.6 90.75 Favored 'General case' 1 C--N 1.503 7.253 0 CA-C-O 112.026 -3.845 . . . . 0.0 116.134 169.718 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 m -49.23 -39.01 28.39 Favored 'General case' 1 N--CA 1.545 4.284 1 O-C-N 129.479 4.237 . . . . 0.0 117.111 172.292 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -56.37 -43.7 79.45 Favored 'General case' 0 CA--C 1.61 3.263 0 O-C-N 128.952 3.908 . . . . 0.0 111.727 169.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -66.7 -52.94 31.06 Favored Pre-proline 2 N--CA 1.558 4.974 2 CA-C-N 131.923 6.692 . . . . 0.0 105.765 -170.442 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.518 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.288 1.7 Cg_endo -52.28 -23.76 19.07 Favored 'Trans proline' 1 CA--C 1.64 5.811 1 C-N-CA 125.62 4.213 . . . . 0.0 110.541 167.489 . . . . . . . . 5 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.661 2.2 pt-20 . . . . . 0 N--CA 1.535 3.786 0 CA-C-O 114.447 -2.692 . . . . 0.0 106.918 172.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.38 2.6 t . . . . . 0 C--O 1.181 -2.542 0 N-CA-C 120.214 3.412 . . . . 0.0 120.214 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.327 2.9 pt-20 -61.87 -61.42 2.51 Favored 'General case' 1 N--CA 1.628 8.464 0 O-C-N 128.812 3.82 . . . . 0.0 120.189 -175.587 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -68.66 -58.49 6.82 Favored Pre-proline 0 CA--C 1.598 2.799 0 O-C-N 116.734 -3.729 . . . . 0.0 107.805 -173.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.387 52.6 Cg_endo -70.79 -61.32 0.05 OUTLIER 'Trans proline' 0 CA--C 1.592 3.402 2 O-C-N 111.991 -4.794 . . . . 0.0 122.005 -178.529 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 m -68.96 -42.0 77.22 Favored 'General case' 0 N--CA 1.531 3.598 0 CA-C-O 114.194 -2.812 . . . . 0.0 114.211 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.581 99.9 m -62.05 -40.23 95.06 Favored 'General case' 0 N--CA 1.526 3.354 1 O-C-N 131.621 5.575 . . . . 0.0 114.506 169.191 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -63.22 -60.57 3.23 Favored 'General case' 2 N--CA 1.573 5.695 1 CA-C-O 111.656 -4.021 . . . . 0.0 110.855 166.379 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -49.9 -33.87 18.63 Favored 'General case' 0 N--CA 1.519 2.997 1 CA-C-N 126.467 4.212 . . . . 0.0 113.557 167.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 1.481 ' C ' ' CA ' ' A' ' 12' ' ' ARG 0.312 0.2 OUTLIER -65.35 -33.24 75.5 Favored 'General case' 2 CA--C 1.799 10.548 0 O-C-N 118.139 -2.85 . . . . 0.0 106.542 169.164 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.315 40.1 m -64.68 -27.82 69.19 Favored 'General case' 0 C--N 1.376 1.739 0 C-N-CA 112.539 -3.665 . . . . 0.0 113.553 169.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.409 2.6 mpt_? -59.71 -25.93 65.2 Favored 'General case' 1 CA--C 1.633 4.161 0 CA-C-O 126.253 2.93 . . . . 0.0 115.119 161.489 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -62.4 -24.14 67.23 Favored 'General case' 0 N--CA 1.505 2.324 1 O-C-N 115.056 -4.778 . . . . 0.0 114.44 165.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.36 0.3 OUTLIER -50.84 -47.71 85.46 Favored Pre-proline 0 CA--C 1.567 1.596 0 C-N-CA 125.123 1.369 . . . . 0.0 111.271 -176.454 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.506 10.8 Cg_endo -56.85 -50.45 11.53 Favored 'Trans proline' 2 N--CA 1.603 7.932 2 O-C-N 111.342 -5.136 . . . . 0.0 109.89 167.283 . . . . . . . . 4 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.315 4.6 pp -63.07 -44.59 95.39 Favored 'General case' 1 N--CA 1.564 5.227 1 O-C-N 109.989 -7.944 . . . . 0.0 112.484 -171.673 . . . . . . . . 4 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.31 7.64 4.37 Favored 'General case' 0 C--N 1.423 3.77 2 O-C-N 130.695 4.997 . . . . 0.0 121.878 170.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -88.03 4.17 46.13 Favored 'General case' 0 N--CA 1.523 3.186 1 CA-C-O 111.414 -4.136 . . . . 0.0 115.923 170.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.48 43.33 1.25 Allowed 'General case' 0 CA--C 1.602 2.955 0 CA-C-N 121.346 1.885 . . . . 0.0 111.009 164.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -34.1 68.07 Favored 'General case' 0 CA--C 1.62 3.657 0 N-CA-C 119.525 3.157 . . . . 0.0 119.525 170.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -97.28 -79.09 0.46 Allowed 'General case' 0 N--CA 1.537 3.875 1 N-CA-C 99.293 -4.336 . . . . 0.0 99.293 178.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.13 95.71 0.65 Allowed Glycine 1 N--CA 1.562 7.088 0 CA-C-O 113.832 -3.76 . . . . 0.0 119.348 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -102.4 69.7 0.03 OUTLIER 'Trans proline' 0 N--CA 1.505 2.168 1 CA-C-N 128.318 6.059 . . . . 0.0 116.636 -161.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -120.83 -72.4 0.69 Allowed 'General case' 1 CA--C 1.673 5.679 1 CA-C-N 105.363 -5.38 . . . . 0.0 105.585 174.912 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 29.9 p -126.42 140.16 36.52 Favored Pre-proline 2 CA--C 1.698 6.64 1 CA-C-O 108.013 -5.756 . . . . 0.0 117.449 -176.816 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.277 24.2 Cg_endo -54.24 80.53 0.03 OUTLIER 'Trans proline' 0 CA--C 1.581 2.834 1 N-CA-C 125.738 5.245 . . . . 0.0 125.738 -177.263 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 1.464 ' C ' ' CA ' ' A' ' 29' ' ' ALA 0.283 . . 46.35 56.53 6.22 Favored 'General case' 1 CA--C 1.837 12.0 0 O-C-N 126.375 2.297 . . . . 0.0 105.681 171.3 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.664 ' N ' ' CA ' ' A' ' 29' ' ' ALA 0.482 49.6 t -78.85 -11.17 59.98 Favored 'General case' 0 N--CA 1.52 3.059 2 CA-C-N 106.763 -4.744 . . . . 0.0 112.746 166.468 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.413 1.7 tmm? -59.33 -49.36 78.11 Favored 'General case' 0 CA--C 1.611 3.3 0 N-CA-C 118.458 2.762 . . . . 0.0 118.458 167.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -65.76 -22.8 66.62 Favored 'General case' 1 N--CA 1.559 5.002 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 169.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.459 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.298 . . -67.05 -37.47 84.12 Favored 'General case' 1 N--CA 1.549 4.52 0 O-C-N 119.176 -2.203 . . . . 0.0 115.912 165.839 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 m -61.47 -35.08 76.62 Favored 'General case' 2 N--CA 1.58 6.042 0 CA-C-N 120.935 1.698 . . . . 0.0 111.941 176.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.581 ' C ' ' CA ' ' A' ' 36' ' ' GLN . 2.6 mp -61.02 -43.88 98.24 Favored 'General case' 0 C--O 1.264 1.851 0 CA-C-N 111.532 -2.576 . . . . 0.0 113.391 171.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 1.503 ' CA ' ' N ' ' A' ' 36' ' ' GLN 0.668 0.0 OUTLIER -54.15 -54.21 50.16 Favored Pre-proline 1 N--CA 1.71 12.567 0 CA-C-N 125.55 3.796 . . . . 0.0 117.225 173.968 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.328 9.4 Cg_endo -59.61 -30.03 91.31 Favored 'Trans proline' 1 C--N 1.465 6.672 0 C-N-CA 124.121 3.214 . . . . 0.0 116.038 161.951 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.462 ' HG2' ' HA ' ' A' ' 35' ' ' LEU 0.308 3.8 pt-20 . . . . . 2 CA--C 1.708 7.021 0 C-N-CA 112.748 -3.581 . . . . 0.0 114.581 160.227 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER . . . . . 0 CA--C 1.614 3.405 0 N-CA-C 118.911 2.93 . . . . 0.0 118.911 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.537 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.397 13.1 pt-20 -56.6 -56.33 22.69 Favored 'General case' 1 N--CA 1.373 -4.309 1 CA-C-N 107.627 -4.351 . . . . 0.0 115.355 -166.774 . . . . . . . . 5 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.334 5.9 tp10 -73.46 -65.18 0.68 Allowed Pre-proline 1 N--CA 1.561 5.121 1 CA-C-O 111.155 -4.259 . . . . 0.0 109.591 -175.004 . . . . . . . . 4 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -60.02 -63.93 0.11 Allowed 'Trans proline' 0 CA--C 1.576 2.592 0 N-CA-C 122.324 3.932 . . . . 0.0 122.324 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 m -64.47 -51.3 63.72 Favored 'General case' 0 C--O 1.296 3.535 0 C-N-CA 130.26 3.424 . . . . 0.0 114.889 -176.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.1 m -67.82 -35.47 78.66 Favored 'General case' 0 N--CA 1.51 2.539 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 170.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -58.65 -38.72 78.75 Favored 'General case' 1 N--CA 1.619 7.994 0 CA-C-O 111.886 -3.912 . . . . 0.0 111.271 168.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.391 3.1 m-80 -63.98 -37.29 86.89 Favored 'General case' 0 C--O 1.273 2.339 0 CA-C-N 121.778 2.081 . . . . 0.0 115.095 173.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.396 0.2 OUTLIER -55.53 -36.74 67.09 Favored 'General case' 0 C--O 1.182 -2.473 0 O-C-N 127.336 2.897 . . . . 0.0 115.121 165.239 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.4 1.5 m -54.92 -34.57 63.28 Favored 'General case' 1 CA--C 1.645 4.6 0 CA-C-N 121.749 2.068 . . . . 0.0 112.892 166.628 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.491 0.7 OUTLIER -62.24 -31.82 72.43 Favored 'General case' 1 CA--C 1.658 5.112 0 C-N-CA 128.987 2.915 . . . . 0.0 107.246 173.476 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.307 18.1 m170 -66.4 -22.3 66.24 Favored 'General case' 1 N--CA 1.569 5.517 0 CA-C-O 112.597 -3.573 . . . . 0.0 113.368 165.519 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -38.82 72.71 Favored Pre-proline 2 N--CA 1.622 8.17 1 CA-C-O 110.126 -4.75 . . . . 0.0 110.996 -179.812 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -70.45 -26.75 24.0 Favored 'Trans proline' 0 CA--C 1.568 2.207 1 CA-C-O 103.153 -7.103 . . . . 0.0 115.376 161.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.525 HD12 ' H ' ' A' ' 20' ' ' PHE 0.264 3.9 pp -70.71 -40.05 73.06 Favored 'General case' 1 N--CA 1.636 8.849 2 CA-C-N 129.156 5.434 . . . . 0.0 113.703 172.24 . . . . . . . . 5 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.495 0.0 OUTLIER 69.86 15.05 7.95 Favored 'General case' 1 N--CA 1.565 5.277 1 CA-C-N 107.915 -4.22 . . . . 0.0 111.367 164.122 . . . . . . . . 5 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.525 ' H ' HD12 ' A' ' 18' ' ' LEU . 2.9 p90 -100.27 -2.08 34.69 Favored 'General case' 0 C--N 1.422 3.741 2 CA-C-N 127.076 4.489 . . . . 0.0 122.177 173.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.283 40.4 t -116.82 55.63 0.82 Allowed 'General case' 0 CA--C 1.606 3.117 0 CA-C-O 115.215 -2.326 . . . . 0.0 108.187 169.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -54.07 12.32 Favored 'General case' 0 N--CA 1.527 3.408 1 CA-C-O 132.806 6.05 . . . . 0.0 110.933 167.566 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.3 p -82.98 -74.84 0.34 Allowed 'General case' 0 C--N 1.424 3.846 1 O-C-N 114.798 -4.939 . . . . 0.0 102.515 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.86 109.98 0.01 OUTLIER Glycine 1 N--CA 1.56 6.966 1 CA-C-O 110.375 -5.681 . . . . 0.0 117.786 -166.008 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.36 0.5 OUTLIER -90.83 62.04 1.39 Allowed 'Trans proline' 0 CA--C 1.58 2.807 1 CA-C-N 125.408 4.604 . . . . 0.0 118.038 -172.375 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mp -126.69 -71.7 0.67 Allowed 'General case' 0 C--O 1.282 2.793 0 N-CA-C 103.374 -2.825 . . . . 0.0 103.374 -173.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 1.536 ' C ' ' CA ' ' A' ' 27' ' ' CYS . 13.3 p -115.87 145.26 34.35 Favored Pre-proline 1 CA--C 1.756 8.881 0 O-C-N 118.004 -2.935 . . . . 0.0 115.224 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -85.62 72.03 4.38 Favored 'Trans proline' 1 N--CA 1.594 7.427 0 C-N-CA 123.029 2.486 . . . . 0.0 116.643 -161.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.414 . . 69.6 56.91 0.34 Allowed 'General case' 0 CA--C 1.575 1.907 0 O-C-N 116.426 -3.922 . . . . 0.0 111.871 -175.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' A' ' 5' ' ' GLU 0.411 42.3 t -91.09 -6.58 53.54 Favored 'General case' 1 N--CA 1.571 5.582 0 O-C-N 116.72 -3.738 . . . . 0.0 114.236 175.709 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.6 tmm? -63.76 -43.83 95.24 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 129.365 3.066 . . . . 0.0 112.06 175.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -53.11 -42.45 65.99 Favored 'General case' 0 C--N 1.403 2.925 0 O-C-N 126.511 2.382 . . . . 0.0 113.454 168.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.574 ' O ' ' HD2' ' A' ' 37' ' ' PRO . . . -55.65 -35.74 66.29 Favored 'General case' 0 N--CA 1.498 1.933 2 O-C-N 110.044 -7.91 . . . . 0.0 120.416 169.346 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.255 22.5 m -63.35 -39.4 94.43 Favored 'General case' 0 N--CA 1.53 3.531 0 C-N-CA 124.074 0.95 . . . . 0.0 112.31 168.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mp -59.79 -43.99 94.16 Favored 'General case' 0 C--N 1.383 2.03 1 CA-C-O 110.488 -4.577 . . . . 0.0 111.028 178.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -69.45 -42.06 19.12 Favored Pre-proline 1 CA--C 1.643 4.548 1 CA-C-N 131.366 6.439 . . . . 0.0 115.576 174.282 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.574 ' HD2' ' O ' ' A' ' 33' ' ' ALA . 2.5 Cg_endo -70.72 -10.86 28.65 Favored 'Trans proline' 2 CA--C 1.705 9.05 0 CA-C-N 127.149 3.589 . . . . 0.0 118.588 169.19 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.453 11.9 pt-20 . . . . . 1 C--O 1.309 4.207 2 O-C-N 137.888 9.492 . . . . 0.0 113.696 162.113 . . . . . . . . 3 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 2 C--O 1.317 4.617 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.507 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.334 10.0 pt-20 -57.79 -51.97 67.37 Favored 'General case' 0 N--CA 1.537 3.89 0 O-C-N 126.068 2.105 . . . . 0.0 107.958 -163.477 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.524 4.9 tp10 -74.62 -55.57 2.58 Favored Pre-proline 0 N--CA 1.534 3.763 2 O-C-N 113.382 -5.824 . . . . 0.0 117.235 -173.56 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -69.61 -65.07 0.04 OUTLIER 'Trans proline' 1 N--CA 1.596 7.55 0 N-CA-C 118.916 2.622 . . . . 0.0 118.916 176.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.295 0.3 OUTLIER -53.9 -55.0 30.91 Favored 'General case' 0 C--N 1.403 2.93 0 N-CA-C 119.271 3.063 . . . . 0.0 119.271 179.026 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.2 m -71.39 -34.78 70.7 Favored 'General case' 0 C--O 1.301 3.782 1 O-C-N 130.028 4.58 . . . . 0.0 110.375 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.3 ttt-85 -58.21 -34.47 70.43 Favored 'General case' 0 C--N 1.396 2.602 2 O-C-N 112.557 -6.339 . . . . 0.0 111.548 171.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -71.01 -36.25 72.35 Favored 'General case' 1 N--CA 1.552 4.675 0 CA-C-O 116.309 -1.805 . . . . 0.0 107.296 174.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.461 0.2 OUTLIER -56.29 -34.54 66.56 Favored 'General case' 0 C--O 1.274 2.376 0 CA-C-O 113.252 -3.261 . . . . 0.0 114.908 167.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -61.92 -24.12 66.77 Favored 'General case' 0 N--CA 1.524 3.271 1 CA-C-N 126.684 4.311 . . . . 0.0 117.204 163.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -69.44 -29.74 67.52 Favored 'General case' 0 C--O 1.288 3.102 0 O-C-N 119.432 -2.042 . . . . 0.0 109.147 165.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.341 19.3 m170 -55.76 -30.93 62.06 Favored 'General case' 0 C--N 1.413 3.363 0 CA-C-N 122.539 2.427 . . . . 0.0 116.831 160.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.332 2.3 tt -47.58 -31.1 1.85 Allowed Pre-proline 1 C--N 1.433 4.239 0 C-N-CA 127.477 2.311 . . . . 0.0 113.092 -177.208 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -73.19 -38.67 2.58 Favored 'Trans proline' 0 CA--C 1.498 -1.315 1 C-N-CA 129.432 6.755 . . . . 0.0 115.531 161.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.455 HD12 ' H ' ' A' ' 20' ' ' PHE . 3.1 pp -69.26 -38.09 78.26 Favored 'General case' 2 CA--C 1.695 6.536 1 CA-C-N 126.245 4.112 . . . . 0.0 105.569 176.472 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.281 0.0 OUTLIER 61.21 24.06 14.2 Favored 'General case' 0 CA--C 1.623 3.78 0 C-N-CA 128.999 2.92 . . . . 0.0 113.644 168.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.455 ' H ' HD12 ' A' ' 18' ' ' LEU 0.445 1.4 p90 -95.84 -16.34 21.91 Favored 'General case' 1 N--CA 1.578 5.972 0 N-CA-C 121.057 3.725 . . . . 0.0 121.057 171.429 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.309 28.6 t -109.92 48.07 0.91 Allowed 'General case' 0 N--CA 1.518 2.969 0 N-CA-C 120.018 3.34 . . . . 0.0 120.018 169.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.276 0.0 OUTLIER -50.37 -51.0 49.81 Favored 'General case' 1 C--N 1.463 5.527 0 CA-C-N 110.71 -2.95 . . . . 0.0 110.853 177.574 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -81.32 -70.08 0.56 Allowed 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 108.677 -3.874 . . . . 0.0 103.633 173.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.03 120.16 0.02 OUTLIER Glycine 1 CA--C 1.614 6.262 2 CA-C-O 111.499 -5.056 . . . . 0.0 114.305 -165.345 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -101.84 55.81 0.03 OUTLIER 'Trans proline' 0 N--CA 1.528 3.526 1 CA-C-N 132.276 8.038 . . . . 0.0 112.084 -176.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mp -115.53 -60.9 1.82 Allowed 'General case' 0 CA--C 1.595 2.675 0 CA-C-O 123.572 1.653 . . . . 0.0 111.797 174.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.0 p -119.56 117.64 32.69 Favored Pre-proline 1 N--CA 1.593 6.689 0 CA-C-N 111.11 -2.768 . . . . 0.0 114.804 -177.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -58.58 75.12 0.04 OUTLIER 'Trans proline' 2 C--N 1.49 8.011 2 C-N-CA 129.462 6.775 . . . . 0.0 125.715 -172.936 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 1.544 ' C ' ' CA ' ' A' ' 29' ' ' ALA 0.409 . . 62.06 57.14 2.13 Favored 'General case' 2 CA--C 1.741 8.318 0 CA-C-O 124.212 1.958 . . . . 0.0 111.655 -175.539 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.507 ' SG ' ' HB3' ' A' ' 5' ' ' GLU 0.374 19.4 t -94.73 -2.16 51.63 Favored 'General case' 1 N--CA 1.54 4.054 0 O-C-N 118.992 -2.317 . . . . 0.0 111.885 176.85 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.264 4.9 tmm? -68.64 -37.56 79.78 Favored 'General case' 0 C--N 1.421 3.716 0 O-C-N 118.384 -2.698 . . . . 0.0 113.265 176.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -63.08 -30.98 72.02 Favored 'General case' 1 CA--C 1.7 6.741 0 O-C-N 128.081 3.363 . . . . 0.0 108.643 176.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.65 -30.09 67.7 Favored 'General case' 1 N--CA 1.607 7.388 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 174.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.257 6.6 m -68.92 -36.12 77.63 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 169.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mp -65.75 -31.31 72.22 Favored 'General case' 0 N--CA 1.502 2.149 1 CA-C-O 109.847 -4.882 . . . . 0.0 114.512 177.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -70.82 -46.57 16.29 Favored Pre-proline 2 CA--C 1.67 5.567 0 CA-C-N 125.716 3.871 . . . . 0.0 119.827 163.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -67.72 -9.01 24.09 Favored 'Trans proline' 0 CA--C 1.469 -2.729 1 N-CA-C 125.231 5.05 . . . . 0.0 125.231 167.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.387 9.4 pt-20 . . . . . 0 CA--C 1.601 2.907 0 O-C-N 120.111 -1.618 . . . . 0.0 114.022 156.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.197 -1.709 0 CA-C-O 126.201 2.905 . . . . 0.0 116.961 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.553 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.424 9.1 pt-20 -48.65 -60.25 2.87 Favored 'General case' 1 N--CA 1.548 4.451 0 CA-C-N 109.969 -3.287 . . . . 0.0 112.714 -168.686 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.604 4.6 tp10 -65.05 -59.66 9.6 Favored Pre-proline 1 N--CA 1.561 5.11 2 O-C-N 114.712 -4.992 . . . . 0.0 113.816 -172.412 . . . . . . . . 4 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -77.19 -64.01 0.03 OUTLIER 'Trans proline' 0 CA--C 1.591 3.355 1 C-N-CA 126.292 4.661 . . . . 0.0 111.463 -174.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.261 0.2 OUTLIER -56.74 -48.98 76.58 Favored 'General case' 0 N--CA 1.511 2.599 1 N-CA-C 122.239 4.162 . . . . 0.0 122.239 -176.96 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.462 19.7 m -67.87 -40.09 83.66 Favored 'General case' 0 C--O 1.193 -1.909 1 C-N-CA 133.239 4.616 . . . . 0.0 115.102 172.832 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.4 ttt-85 -60.16 -45.6 92.54 Favored 'General case' 0 C--N 1.424 3.815 0 C-N-CA 117.365 -1.734 . . . . 0.0 110.215 168.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -61.09 -38.32 85.87 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 121.777 2.08 . . . . 0.0 109.418 171.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.472 0.2 OUTLIER -54.1 -38.02 64.92 Favored 'General case' 2 N--CA 1.568 5.469 0 CA-C-O 115.083 -2.389 . . . . 0.0 114.522 168.956 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.328 1.3 m -56.92 -42.94 80.87 Favored 'General case' 0 N--CA 1.529 3.495 0 O-C-N 124.89 1.369 . . . . 0.0 113.668 170.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.465 2.9 mtt180 -45.83 -40.51 9.89 Favored 'General case' 1 N--CA 1.556 4.841 0 C-N-CA 112.43 -3.708 . . . . 0.0 117.037 160.179 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -61.45 -24.34 66.49 Favored 'General case' 0 CA--C 1.624 3.821 1 O-C-N 130.739 5.024 . . . . 0.0 114.847 173.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.4 2.9 tt -47.21 -38.09 12.93 Favored Pre-proline 1 C--N 1.45 4.955 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -176.878 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.26 -39.69 22.05 Favored 'Trans proline' 1 CA--C 1.608 4.176 0 N-CA-C 119.412 2.812 . . . . 0.0 119.412 165.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.328 2.9 pp -63.24 -36.29 83.18 Favored 'General case' 1 CA--C 1.696 6.573 0 O-C-N 116.864 -3.648 . . . . 0.0 109.653 168.029 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 46.47 37.88 4.81 Favored 'General case' 0 C--O 1.266 1.963 0 N-CA-C 120.266 3.432 . . . . 0.0 120.266 177.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.466 4.0 p90 -104.52 -22.51 13.27 Favored 'General case' 1 N--CA 1.643 9.19 0 CA-C-O 114.439 -2.696 . . . . 0.0 113.318 173.67 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.508 13.5 t -100.14 43.7 1.05 Allowed 'General case' 0 C--O 1.302 3.82 0 O-C-N 128.64 3.713 . . . . 0.0 120.19 169.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.328 0.0 OUTLIER -51.71 -61.15 2.43 Favored 'General case' 1 CA--C 1.651 4.852 0 CA-C-N 109.599 -3.455 . . . . 0.0 109.945 -179.475 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.339 46.0 p -64.18 -61.97 1.92 Allowed 'General case' 0 C--N 1.377 1.769 2 O-C-N 134.471 7.357 . . . . 0.0 114.617 162.586 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.92 128.09 0.02 OUTLIER Glycine 1 CA--C 1.658 9.025 0 CA-C-O 114.948 -3.14 . . . . 0.0 107.971 -173.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -112.81 57.16 0.0 OUTLIER 'Trans proline' 2 N--CA 1.63 9.552 2 CA-C-N 130.155 6.978 . . . . 0.0 108.781 176.62 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.72 -61.94 1.67 Allowed 'General case' 2 CA--C 1.663 5.313 0 O-C-N 126.154 2.159 . . . . 0.0 110.037 167.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . 0.318 1.6 p -115.49 110.61 44.74 Favored Pre-proline 0 N--CA 1.529 3.514 0 O-C-N 128.642 3.714 . . . . 0.0 115.631 -175.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER -56.65 82.86 0.04 OUTLIER 'Trans proline' 2 N--CA 1.548 4.699 1 N-CA-C 131.19 7.342 . . . . 0.0 131.19 -176.106 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 1.512 ' C ' ' CA ' ' A' ' 29' ' ' ALA . . . 48.78 65.96 1.22 Allowed 'General case' 1 CA--C 1.77 9.439 0 O-C-N 128.909 3.881 . . . . 0.0 112.004 -168.705 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.572 ' N ' ' CA ' ' A' ' 29' ' ' ALA . 5.2 t -86.27 -11.68 51.62 Favored 'General case' 0 N--CA 1.527 3.395 0 C-N-CA 130.265 3.426 . . . . 0.0 109.731 172.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.309 5.0 tmm? -79.64 -28.37 40.86 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 126.131 2.144 . . . . 0.0 113.244 -175.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.326 8.0 pttt -62.65 -29.05 70.34 Favored 'General case' 1 CA--C 1.665 5.368 0 C-N-CA 125.52 1.528 . . . . 0.0 114.308 166.714 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.24 -34.17 65.72 Favored 'General case' 1 CA--C 1.691 6.396 1 O-C-N 130.346 4.779 . . . . 0.0 114.262 175.259 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.366 1.3 m -59.24 -46.04 89.55 Favored 'General case' 0 CA--C 1.627 3.937 0 CA-C-O 125.68 2.657 . . . . 0.0 113.302 169.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.682 ' C ' ' CA ' ' A' ' 36' ' ' GLN . 6.5 mp -55.39 -37.72 67.96 Favored 'General case' 0 C--O 1.292 3.329 0 N-CA-C 119.183 3.031 . . . . 0.0 119.183 174.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 1.532 ' CA ' ' N ' ' A' ' 36' ' ' GLN . 58.0 mt-30 -64.62 -68.23 0.84 Allowed Pre-proline 2 N--CA 1.676 10.863 0 C-N-CA 116.783 -1.967 . . . . 0.0 114.103 165.004 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -50.48 -18.5 3.8 Favored 'Trans proline' 0 C--N 1.388 2.611 2 C-N-CA 128.686 6.257 . . . . 0.0 116.582 176.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.353 13.0 pt-20 . . . . . 0 C--O 1.303 3.912 1 CA-C-O 130.141 4.781 . . . . 0.0 110.054 161.284 . . . . . . . . 2 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 C--O 1.269 2.101 0 N-CA-C 120.457 3.503 . . . . 0.0 120.457 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.486 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.358 11.5 pt-20 -50.8 -63.99 0.95 Allowed 'General case' 0 C--N 1.259 -3.367 0 CA-C-N 123.414 2.825 . . . . 0.0 117.878 -170.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -68.99 -55.67 10.16 Favored Pre-proline 2 CA--C 1.692 6.43 1 CA-C-O 109.205 -5.188 . . . . 0.0 113.536 -176.306 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -71.14 -56.82 0.11 Allowed 'Trans proline' 0 CA--C 1.559 1.733 0 O-C-N 126.163 2.665 . . . . 0.0 114.418 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -69.85 -45.86 66.85 Favored 'General case' 1 CA--C 1.721 7.556 0 C-N-CA 125.785 1.634 . . . . 0.0 114.502 -162.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.377 5.5 m -73.01 -37.41 66.97 Favored 'General case' 2 N--CA 1.585 6.297 3 O-C-N 134.004 7.065 . . . . 0.0 114.907 171.288 . . . . . . . . 4 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -55.94 -52.27 64.72 Favored 'General case' 1 N--CA 1.575 5.821 0 N-CA-C 117.383 2.364 . . . . 0.0 117.383 159.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -55.84 -36.87 68.0 Favored 'General case' 0 CA--C 1.605 3.058 0 CA-C-N 119.779 1.172 . . . . 0.0 113.807 162.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.367 0.6 OUTLIER -58.02 -33.69 69.22 Favored 'General case' 2 N--CA 1.595 6.786 1 O-C-N 116.249 -4.032 . . . . 0.0 117.548 166.601 . . . . . . . . 5 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.2 m -63.15 -34.21 77.13 Favored 'General case' 1 CA--C 1.673 5.701 1 O-C-N 116.222 -4.049 . . . . 0.0 113.345 174.051 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.259 1.3 mtt180 -55.54 -29.18 58.47 Favored 'General case' 0 N--CA 1.404 -2.766 0 C-N-CA 117.273 -1.771 . . . . 0.0 115.184 159.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.356 19.0 m170 -66.16 -27.89 68.36 Favored 'General case' 1 CA--C 1.651 4.836 0 CA-C-O 114.956 -2.449 . . . . 0.0 110.132 169.843 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.264 0.7 OUTLIER -48.98 -35.43 10.15 Favored Pre-proline 2 N--CA 1.566 5.368 0 CA-C-O 113.056 -3.354 . . . . 0.0 108.504 -172.233 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.58 -33.6 13.24 Favored 'Trans proline' 1 CA--C 1.714 9.5 1 C-N-CA 130.151 7.234 . . . . 0.0 117.44 170.444 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.458 2.6 pp -67.57 -40.36 84.89 Favored 'General case' 0 N--CA 1.524 3.253 0 CA-C-O 114.409 -2.71 . . . . 0.0 110.764 158.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 42.14 41.7 2.15 Favored 'General case' 1 N--CA 1.597 6.897 1 N-CA-C 123.177 4.51 . . . . 0.0 123.177 -177.089 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -111.04 -18.04 13.13 Favored 'General case' 1 C--N 1.445 4.751 0 O-C-N 120.598 -1.314 . . . . 0.0 113.498 174.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 t -112.86 55.02 0.7 Allowed 'General case' 1 CA--C 1.647 4.687 1 CA-C-O 131.707 5.527 . . . . 0.0 108.951 174.23 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.301 0.0 OUTLIER -56.82 -66.81 0.38 Allowed 'General case' 0 C--O 1.273 2.328 0 CA-C-N 108.504 -3.953 . . . . 0.0 107.003 171.545 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -57.85 -63.39 1.27 Allowed 'General case' 0 C--N 1.426 3.913 0 CA-C-O 114.565 -2.636 . . . . 0.0 114.073 163.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.88 118.33 0.01 OUTLIER Glycine 2 CA--C 1.676 10.124 0 CA-C-O 114.73 -3.261 . . . . 0.0 110.592 -172.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -99.87 51.8 0.05 OUTLIER 'Trans proline' 1 N--CA 1.63 9.549 1 CA-C-N 124.397 4.098 . . . . 0.0 117.478 177.13 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp -106.8 -76.24 0.62 Allowed 'General case' 1 CA--C 1.678 5.873 0 CA-C-O 127.51 3.529 . . . . 0.0 109.186 175.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . 0.345 1.3 p -111.45 131.39 22.32 Favored Pre-proline 1 C--N 1.509 7.541 1 CA-C-N 108.1 -4.136 . . . . 0.0 111.009 -176.237 . . . . . . . . 4 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -80.27 79.82 3.22 Favored 'Trans proline' 1 CA--C 1.672 7.407 0 N-CA-C 121.149 3.48 . . . . 0.0 121.149 -168.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 55.35 60.69 3.24 Favored 'General case' 1 CA--C 1.694 6.493 1 C-N-CA 133.393 4.677 . . . . 0.0 110.15 -171.678 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.486 ' SG ' ' HB3' ' A' ' 5' ' ' GLU 0.255 4.2 t -78.63 -5.77 53.84 Favored 'General case' 0 C--O 1.179 -2.649 0 N-CA-C 121.472 3.879 . . . . 0.0 121.472 165.382 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 tmm? -77.16 -37.53 53.69 Favored 'General case' 0 CA--C 1.595 2.692 0 C-N-CA 129.859 3.263 . . . . 0.0 110.5 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.271 16.0 pttt -55.41 -38.86 69.49 Favored 'General case' 1 N--CA 1.557 4.913 0 O-C-N 118.735 -2.478 . . . . 0.0 116.493 162.359 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.344 . . -60.41 -36.35 77.93 Favored 'General case' 0 C--N 1.4 2.762 1 N-CA-C 123.316 4.562 . . . . 0.0 123.316 169.709 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -63.51 -40.25 96.56 Favored 'General case' 1 N--CA 1.553 4.7 1 O-C-N 114.498 -5.126 . . . . 0.0 113.084 166.867 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.289 4.5 mp -47.33 -40.71 17.8 Favored 'General case' 0 C--O 1.266 1.932 0 C-N-CA 128.893 2.877 . . . . 0.0 117.004 169.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -72.93 -57.69 2.92 Favored Pre-proline 1 CA--C 1.685 6.159 0 N-CA-C 120.56 3.541 . . . . 0.0 120.56 171.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -59.11 -13.14 18.07 Favored 'Trans proline' 1 N--CA 1.554 5.046 0 C-N-CA 123.332 2.688 . . . . 0.0 113.168 170.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 34' ' ' THR . 11.2 pt-20 . . . . . 1 CA--C 1.66 5.21 0 CA-C-N 124.542 3.337 . . . . 0.0 105.992 161.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.197 -1.681 0 CA-C-O 115.999 -1.953 . . . . 0.0 115.479 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.344 10.5 pt-20 -51.39 -61.53 2.19 Favored 'General case' 0 N--CA 1.524 3.272 0 N-CA-C 120.85 3.648 . . . . 0.0 120.85 -168.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.445 ' HA ' HG23 ' A' ' 34' ' ' THR . 4.9 tp10 -66.32 -54.91 22.29 Favored Pre-proline 0 N--CA 1.392 -3.368 0 N-CA-C 119.642 3.201 . . . . 0.0 119.642 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.312 87.9 Cg_endo -70.02 -56.9 0.12 Allowed 'Trans proline' 0 C--N 1.381 2.282 2 O-C-N 110.43 -5.616 . . . . 0.0 115.988 174.25 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 m -68.94 -49.65 56.21 Favored 'General case' 1 N--CA 1.543 4.21 0 CA-C-O 126.224 2.916 . . . . 0.0 114.291 -162.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.514 3.9 m -58.34 -47.55 83.4 Favored 'General case' 1 C--N 1.436 4.335 0 C-N-CA 129.127 2.971 . . . . 0.0 118.519 171.367 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.254 11.7 ttt-85 -51.94 -48.3 64.32 Favored 'General case' 1 CA--C 1.633 4.16 0 N-CA-C 121.642 3.942 . . . . 0.0 121.642 163.156 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.276 14.0 m-80 -56.26 -39.64 72.94 Favored 'General case' 1 CA--C 1.681 5.982 0 CA-C-O 114.183 -2.817 . . . . 0.0 109.46 153.991 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.523 0.5 OUTLIER -54.55 -36.16 64.01 Favored 'General case' 1 CA--C 1.642 4.486 2 CA-C-N 130.994 6.27 . . . . 0.0 117.58 172.737 . . . . . . . . 5 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -57.81 -35.11 70.39 Favored 'General case' 1 N--CA 1.548 4.436 0 CA-C-O 127.225 3.393 . . . . 0.0 118.229 170.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' O ' ' HD2' ' A' ' 17' ' ' PRO . 2.3 mtt180 -63.06 -35.47 80.35 Favored 'General case' 1 N--CA 1.592 6.644 0 CA-C-N 110.899 -2.864 . . . . 0.0 106.729 166.517 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.344 12.1 m170 -57.69 -32.79 67.69 Favored 'General case' 2 N--CA 1.608 7.459 1 O-C-N 115.976 -4.202 . . . . 0.0 113.608 165.226 . . . . . . . . 4 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.258 0.6 OUTLIER -44.31 -33.12 1.06 Allowed Pre-proline 1 CA--C 1.649 4.751 2 O-C-N 113.687 -5.633 . . . . 0.0 110.956 -173.329 . . . . . . . . 5 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 14' ' ' ARG . 89.4 Cg_endo -69.81 -33.6 16.09 Favored 'Trans proline' 1 N--CA 1.541 4.267 1 C-N-CA 133.026 9.151 . . . . 0.0 119.836 166.966 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.59 1.4 pp -69.84 -43.99 70.84 Favored 'General case' 1 N--CA 1.56 5.029 0 CA-C-N 111.48 -2.6 . . . . 0.0 110.185 160.239 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.266 0.0 OUTLIER 47.78 35.01 4.23 Favored 'General case' 0 CA--C 1.625 3.852 0 N-CA-C 121.366 3.839 . . . . 0.0 121.366 178.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -107.62 -19.88 13.41 Favored 'General case' 0 C--O 1.273 2.323 0 CA-C-N 123.93 3.059 . . . . 0.0 117.036 171.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 t -113.95 62.75 0.66 Allowed 'General case' 0 CA--C 1.628 3.948 0 CA-C-O 128.395 3.95 . . . . 0.0 105.991 169.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.374 0.0 OUTLIER -59.77 -61.16 2.82 Favored 'General case' 0 CA--C 1.556 1.19 1 O-C-N 114.043 -5.411 . . . . 0.0 111.463 161.687 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -69.76 -69.14 0.36 Allowed 'General case' 1 N--CA 1.548 4.43 0 O-C-N 128.861 3.851 . . . . 0.0 106.908 167.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.35 112.55 0.01 OUTLIER Glycine 0 C--N 1.388 3.445 0 CA-C-N 125.081 3.582 . . . . 0.0 117.35 -161.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.276 3.6 Cg_endo -82.38 45.89 2.05 Favored 'Trans proline' 1 CA--C 1.727 10.134 1 N-CA-C 123.515 4.39 . . . . 0.0 123.515 -179.783 . . . . . . . . 4 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -115.95 -71.16 0.75 Allowed 'General case' 0 CA--C 1.622 3.717 0 C-N-CA 130.133 3.373 . . . . 0.0 110.963 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.498 ' SG ' ' CB ' ' A' ' 30' ' ' CYS . 1.3 p -116.4 142.23 29.15 Favored Pre-proline 0 N--CA 1.52 3.07 1 N-CA-C 98.695 -4.557 . . . . 0.0 98.695 -173.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.298 89.7 Cg_endo -101.42 72.42 0.04 OUTLIER 'Trans proline' 2 CA--C 1.696 8.587 0 O-C-N 117.046 -2.134 . . . . 0.0 109.226 -158.647 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.604 . . 79.19 44.6 0.06 Allowed 'General case' 0 C--N 1.403 2.901 0 O-C-N 116.355 -3.966 . . . . 0.0 115.035 -176.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.498 ' CB ' ' SG ' ' A' ' 27' ' ' CYS 0.361 4.8 t -83.18 -3.99 57.94 Favored 'General case' 0 CA--C 1.613 3.377 0 N-CA-C 119.46 3.133 . . . . 0.0 119.46 174.604 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -76.46 -37.64 56.62 Favored 'General case' 2 N--CA 1.605 7.312 0 C-N-CA 130.455 3.502 . . . . 0.0 105.831 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.282 12.8 pttt -57.89 -43.91 86.38 Favored 'General case' 1 N--CA 1.558 4.939 0 CA-C-O 114.78 -2.533 . . . . 0.0 113.182 165.555 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.24 69.4 Favored 'General case' 1 N--CA 1.592 6.656 0 CA-C-O 112.755 -3.498 . . . . 0.0 117.303 169.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.445 HG23 ' HA ' ' A' ' 6' ' ' GLU . 1.6 m -72.94 -38.76 66.67 Favored 'General case' 2 N--CA 1.625 8.281 0 CA-C-N 124.354 3.252 . . . . 0.0 109.826 166.347 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.254 7.1 mp -44.24 -32.05 1.17 Allowed 'General case' 1 N--CA 1.561 5.094 0 CA-C-O 113.962 -2.923 . . . . 0.0 116.663 168.275 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -78.72 -57.0 0.86 Allowed Pre-proline 0 CA--C 1.599 2.853 0 N-CA-C 121.738 3.977 . . . . 0.0 121.738 171.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 1.518 ' CA ' ' CB ' ' A' ' 37' ' ' PRO 0.394 37.3 Cg_endo -59.85 -16.46 38.14 Favored 'Trans proline' 1 C--N 1.452 5.974 1 C-N-CA 128.536 6.157 . . . . 0.0 113.941 167.793 . . . . . . . . 5 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.483 11.0 pt-20 . . . . . 2 C--N 1.486 6.521 0 CA-C-N 122.275 2.307 . . . . 0.0 104.935 165.635 . . . . . . . . 2 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 1 CA--C 1.655 4.986 0 N-CA-C 116.503 2.038 . . . . 0.0 116.503 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.514 3.4 pt-20 -49.09 -58.69 4.54 Favored 'General case' 0 CA--C 1.589 2.446 0 N-CA-C 121.138 3.755 . . . . 0.0 121.138 -168.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -69.17 -58.28 6.38 Favored Pre-proline 0 N--CA 1.534 3.757 1 CA-C-O 108.489 -5.529 . . . . 0.0 114.158 175.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.37 0.7 OUTLIER -75.76 -57.56 0.05 OUTLIER 'Trans proline' 1 CA--C 1.625 5.054 0 CA-C-N 125.286 2.924 . . . . 0.0 118.517 -179.73 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.294 0.8 OUTLIER -52.82 -57.99 8.39 Favored 'General case' 1 C--N 1.444 4.71 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -177.587 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.0 m -77.2 -36.94 54.43 Favored 'General case' 2 C--N 1.228 -4.699 0 C-N-CA 127.435 2.294 . . . . 0.0 108.579 -168.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -54.57 -38.54 66.81 Favored 'General case' 2 N--CA 1.553 4.686 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 167.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -61.41 -40.6 95.01 Favored 'General case' 2 CA--C 1.665 5.367 0 CA-C-O 116.729 -1.605 . . . . 0.0 109.529 164.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.564 0.6 OUTLIER -63.63 -33.92 76.68 Favored 'General case' 1 N--CA 1.646 9.375 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 175.512 . . . . . . . . 5 4 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -60.52 -32.7 71.71 Favored 'General case' 2 C--N 1.437 4.412 1 CA-C-O 111.232 -4.223 . . . . 0.0 118.488 169.514 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.9 -34.68 75.04 Favored 'General case' 1 CA--C 1.641 4.458 2 O-C-N 131.906 5.754 . . . . 0.0 114.651 158.319 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.38 45.1 m170 -55.03 -34.63 63.67 Favored 'General case' 1 CA--C 1.721 7.537 1 O-C-N 132.574 6.171 . . . . 0.0 111.8 166.033 . . . . . . . . 5 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.53 ' CG ' ' CD2' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -43.54 -36.12 1.98 Allowed Pre-proline 1 N--CA 1.549 4.522 0 CA-C-O 113.045 -3.359 . . . . 0.0 118.362 -178.933 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -57.95 -42.27 60.08 Favored 'Trans proline' 2 N--CA 1.572 6.097 1 C-N-CA 132.103 8.535 . . . . 0.0 111.79 164.179 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 15' ' ' HIS . 1.7 pp -71.99 -48.79 42.36 Favored 'General case' 0 N--CA 1.526 3.373 0 CA-C-O 116.772 -1.585 . . . . 0.0 109.923 168.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.01 38.71 10.79 Favored 'General case' 1 N--CA 1.542 4.129 0 CA-C-N 122.615 2.462 . . . . 0.0 110.061 164.87 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -106.31 -31.16 8.74 Favored 'General case' 1 N--CA 1.557 4.885 0 CA-C-N 122.911 2.596 . . . . 0.0 117.868 161.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' A' ' 21' ' ' SER . 2.0 t -90.91 43.78 1.16 Allowed 'General case' 0 CA--C 1.49 -1.36 0 O-C-N 126.867 2.605 . . . . 0.0 116.074 165.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.426 0.0 OUTLIER -45.26 -56.98 4.3 Favored 'General case' 1 CA--C 1.633 4.157 0 CA-C-O 124.908 2.29 . . . . 0.0 108.624 172.326 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.5 p -68.79 -69.65 0.32 Allowed 'General case' 1 N--CA 1.558 4.945 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 170.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.88 126.83 0.1 OUTLIER Glycine 0 CA--C 1.573 3.66 1 CA-C-O 112.182 -4.677 . . . . 0.0 111.633 -174.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.38 0.0 OUTLIER -93.04 53.94 0.45 Allowed 'Trans proline' 1 N--CA 1.553 5.023 2 CA-C-N 126.755 5.278 . . . . 0.0 117.085 176.506 . . . . . . . . 5 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.312 7.0 mp -127.66 -52.34 1.36 Allowed 'General case' 1 N--CA 1.557 4.911 1 O-C-N 116.183 -4.073 . . . . 0.0 109.348 -179.877 . . . . . . . . 4 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.613 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 1.7 p -139.36 122.25 10.51 Favored Pre-proline 0 C--O 1.189 -2.112 1 O-C-N 115.983 -4.198 . . . . 0.0 100.513 -168.192 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -84.09 68.56 6.62 Favored 'Trans proline' 1 CA--C 1.429 -4.754 0 N-CA-C 119.139 2.707 . . . . 0.0 119.139 -162.267 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.31 70.83 0.26 Allowed 'General case' 1 CA--C 1.662 5.274 0 O-C-N 126.521 2.388 . . . . 0.0 115.409 -173.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.613 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 5.6 t -99.14 -17.38 18.22 Favored 'General case' 1 CA--C 1.697 6.61 1 CA-C-N 106.165 -5.016 . . . . 0.0 111.047 179.313 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -35.29 76.95 Favored 'General case' 0 C--N 1.426 3.926 0 N-CA-C 120.413 3.486 . . . . 0.0 120.413 168.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -74.09 -35.41 64.19 Favored 'General case' 1 CA--C 1.709 7.073 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.6 171.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.14 -31.77 69.26 Favored 'General case' 0 N--CA 1.519 2.995 0 CA-C-O 112.63 -3.557 . . . . 0.0 120.196 163.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 m -61.2 -39.78 91.5 Favored 'General case' 1 CA--C 1.652 4.866 0 CA-C-N 125.437 3.744 . . . . 0.0 111.293 165.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.27 -28.24 67.9 Favored 'General case' 0 CA--C 1.584 2.283 0 C-N-CA 126.823 2.049 . . . . 0.0 109.69 -171.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -72.74 -60.05 2.12 Favored Pre-proline 2 N--CA 1.589 6.517 1 CA-C-O 107.626 -5.94 . . . . 0.0 118.291 164.193 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -61.84 -13.17 29.16 Favored 'Trans proline' 0 N--CA 1.523 3.228 1 C-N-CA 126.406 4.737 . . . . 0.0 113.951 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 2 CA--C 1.697 6.616 1 CA-C-O 106.951 -6.261 . . . . 0.0 117.384 163.332 . . . . . . . . 2 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.341 2.5 t . . . . . 0 CA--C 1.605 3.086 0 CA-C-O 115.066 -2.397 . . . . 0.0 114.751 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.429 3.3 pt-20 -53.94 -60.94 2.67 Favored 'General case' 0 N--CA 1.533 3.711 0 N-CA-C 117.393 2.368 . . . . 0.0 117.393 -168.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.53 -51.38 32.39 Favored Pre-proline 0 C--N 1.4 2.775 0 CA-C-O 113.154 -3.308 . . . . 0.0 115.464 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.364 0.1 OUTLIER -80.69 -53.05 0.04 OUTLIER 'Trans proline' 1 C--N 1.453 6.038 0 N-CA-C 121.143 3.478 . . . . 0.0 121.143 173.841 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.5 m -56.92 -60.02 4.2 Favored 'General case' 1 N--CA 1.586 6.336 0 CA-C-O 128.348 3.927 . . . . 0.0 114.443 -176.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.33 6.0 m -69.14 -35.34 76.26 Favored 'General case' 0 C--O 1.288 3.114 1 O-C-N 115.742 -4.349 . . . . 0.0 115.709 -178.851 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.323 11.2 ttt-85 -50.56 -38.45 45.13 Favored 'General case' 0 C--N 1.419 3.593 0 CA-C-N 123.641 2.928 . . . . 0.0 112.799 170.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -62.73 -41.72 99.32 Favored 'General case' 1 N--CA 1.546 4.355 1 CA-C-N 108.2 -4.091 . . . . 0.0 114.398 167.495 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.358 0.1 OUTLIER -68.2 -33.57 74.68 Favored 'General case' 1 N--CA 1.602 7.164 0 CA-C-O 112.46 -3.638 . . . . 0.0 112.359 174.604 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.4 m -56.99 -38.9 73.69 Favored 'General case' 0 N--CA 1.519 3.005 1 CA-C-O 110.913 -4.375 . . . . 0.0 113.174 170.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.35 -29.17 70.27 Favored 'General case' 0 N--CA 1.506 2.345 1 O-C-N 129.459 4.224 . . . . 0.0 111.216 166.3 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.317 10.3 m170 -56.27 -32.47 64.57 Favored 'General case' 0 C--N 1.409 3.17 0 O-C-N 118.723 -2.486 . . . . 0.0 111.678 163.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.29 -38.81 16.03 Favored Pre-proline 1 CA--C 1.737 8.141 2 O-C-N 112.296 -6.502 . . . . 0.0 115.055 -175.258 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.267 22.2 Cg_endo -64.04 -27.44 65.78 Favored 'Trans proline' 0 C--N 1.285 -2.778 1 C-N-CA 127.904 5.736 . . . . 0.0 114.936 167.034 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.368 1.7 pp -74.02 -52.38 12.93 Favored 'General case' 1 N--CA 1.579 6.022 1 O-C-N 116.249 -4.032 . . . . 0.0 108.109 158.997 . . . . . . . . 4 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 64.36 39.21 7.29 Favored 'General case' 0 N--CA 1.529 3.519 0 CA-C-N 121.441 1.928 . . . . 0.0 110.721 168.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.416 47.4 p90 -109.04 -32.57 7.19 Favored 'General case' 0 N--CA 1.525 3.318 0 O-C-N 125.465 1.728 . . . . 0.0 114.004 171.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 t -96.09 51.21 1.21 Allowed 'General case' 0 N--CA 1.527 3.417 0 CA-C-O 112.698 -3.525 . . . . 0.0 104.747 171.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.439 0.0 OUTLIER -50.69 -52.41 40.37 Favored 'General case' 1 CA--C 1.644 4.595 0 CA-C-N 123.507 2.867 . . . . 0.0 110.495 167.425 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.6 p -69.45 -68.89 0.37 Allowed 'General case' 1 N--CA 1.641 9.119 0 N-CA-C 121.653 3.946 . . . . 0.0 121.653 168.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.07 133.12 0.01 OUTLIER Glycine 1 CA--C 1.594 4.989 0 CA-C-N 109.409 -3.541 . . . . 0.0 114.257 -175.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.297 2.5 Cg_endo -94.43 42.64 0.2 Allowed 'Trans proline' 0 C--N 1.406 3.568 0 CA-C-N 121.201 2.5 . . . . 0.0 114.792 -173.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.295 8.0 mp -113.57 -67.57 0.99 Allowed 'General case' 1 CA--C 1.688 6.273 1 O-C-N 115.285 -4.634 . . . . 0.0 107.966 -174.604 . . . . . . . . 4 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.613 ' SG ' ' CB ' ' A' ' 30' ' ' CYS 0.363 0.8 OUTLIER -122.15 120.71 28.16 Favored Pre-proline 1 N--CA 1.577 5.918 1 O-C-N 133.082 6.489 . . . . 0.0 103.712 -168.656 . . . . . . . . 6 4 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -84.08 79.61 2.59 Favored 'Trans proline' 0 C--O 1.284 2.798 0 C-N-CA 123.601 2.867 . . . . 0.0 113.0 -161.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.33 67.05 0.99 Allowed 'General case' 1 CA--C 1.682 6.031 0 CA-C-O 126.249 2.928 . . . . 0.0 115.067 -174.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.613 ' CB ' ' SG ' ' A' ' 27' ' ' CYS 0.402 5.4 t -91.38 -5.25 54.77 Favored 'General case' 0 C--N 1.428 3.993 1 CA-C-O 110.614 -4.517 . . . . 0.0 115.999 163.714 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -33.39 71.49 Favored 'General case' 1 N--CA 1.569 5.482 0 O-C-N 128.403 3.564 . . . . 0.0 115.696 169.325 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.314 24.7 pttt -73.92 -39.59 63.71 Favored 'General case' 1 CA--C 1.724 7.661 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 177.029 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.52 -34.15 64.41 Favored 'General case' 0 N--CA 1.532 3.66 0 N-CA-C 119.029 2.974 . . . . 0.0 119.029 168.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.8 m -58.91 -45.95 89.1 Favored 'General case' 2 N--CA 1.587 6.415 0 O-C-N 120.941 -1.099 . . . . 0.0 108.145 167.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -56.79 -40.03 75.18 Favored 'General case' 1 CA--C 1.632 4.098 0 CA-C-O 112.727 -3.511 . . . . 0.0 108.425 -168.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -58.24 -65.78 1.72 Allowed Pre-proline 0 CA--C 1.614 3.436 0 N-CA-C 120.471 3.508 . . . . 0.0 120.471 166.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -69.47 -3.19 11.32 Favored 'Trans proline' 1 C--N 1.44 5.378 1 N-CA-C 123.288 4.303 . . . . 0.0 123.288 176.646 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 CA--C 1.629 3.998 0 O-C-N 117.921 -2.987 . . . . 0.0 110.014 165.536 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.415 -2.212 0 N-CA-C 118.878 2.918 . . . . 0.0 118.878 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -52.4 -61.96 1.95 Allowed 'General case' 2 C--N 1.478 6.172 1 CA-C-O 109.033 -5.27 . . . . 0.0 113.183 -167.628 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.4 -55.84 32.07 Favored Pre-proline 0 N--CA 1.529 3.508 1 O-C-N 130.206 4.691 . . . . 0.0 110.077 -171.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.363 0.1 OUTLIER -79.77 -54.29 0.04 OUTLIER 'Trans proline' 1 N--CA 1.641 10.16 0 C-N-CA 125.018 3.812 . . . . 0.0 118.416 178.115 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 m -64.02 -59.4 4.52 Favored 'General case' 0 CA--C 1.629 3.998 0 CA-C-N 121.0 1.727 . . . . 0.0 112.937 -171.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -64.14 -38.22 90.29 Favored 'General case' 2 N--CA 1.573 5.706 1 CA-C-O 110.673 -4.489 . . . . 0.0 121.088 175.282 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -52.84 -32.92 47.06 Favored 'General case' 1 N--CA 1.639 8.981 1 O-C-N 133.062 6.476 . . . . 0.0 110.524 167.885 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -64.34 -47.55 78.92 Favored 'General case' 0 C--O 1.261 1.665 0 CA-C-O 112.425 -3.655 . . . . 0.0 111.67 167.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.32 0.0 OUTLIER -62.19 -31.6 72.14 Favored 'General case' 0 C--O 1.186 -2.286 1 N-CA-C 123.603 4.668 . . . . 0.0 123.603 168.39 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -55.81 -36.23 67.21 Favored 'General case' 0 C--O 1.197 -1.682 0 N-CA-C 118.495 2.776 . . . . 0.0 118.495 165.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -25.21 66.95 Favored 'General case' 1 N--CA 1.587 6.387 0 C-N-CA 127.747 2.419 . . . . 0.0 106.363 167.499 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 15.6 m170 -69.22 -27.76 65.77 Favored 'General case' 1 N--CA 1.592 6.662 0 CA-C-O 113.611 -3.09 . . . . 0.0 107.879 168.691 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.577 ' CG ' ' CB ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -51.05 -38.68 48.3 Favored Pre-proline 2 N--CA 1.548 4.454 0 CA-C-N 122.399 2.363 . . . . 0.0 117.198 -177.066 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -47.99 -44.17 28.37 Favored 'Trans proline' 1 CA--C 1.624 4.998 1 C-N-CA 126.702 4.935 . . . . 0.0 109.645 163.025 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 15' ' ' HIS . 2.8 pp -78.37 -32.27 48.86 Favored 'General case' 0 C--N 1.405 2.996 0 CA-C-N 123.044 2.656 . . . . 0.0 112.151 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 55.76 36.75 27.85 Favored 'General case' 0 C--O 1.278 2.569 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 166.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.425 ' H ' HD12 ' A' ' 18' ' ' LEU 0.355 30.1 p90 -111.32 -30.86 7.26 Favored 'General case' 0 C--O 1.268 2.062 0 CA-C-N 122.274 2.306 . . . . 0.0 108.624 179.264 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.3 t -96.67 61.31 1.89 Allowed 'General case' 0 N--CA 1.423 -1.818 1 O-C-N 115.72 -4.363 . . . . 0.0 101.975 167.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.315 0.0 OUTLIER -63.01 -38.32 90.73 Favored 'General case' 0 N--CA 1.524 3.234 0 O-C-N 118.347 -2.721 . . . . 0.0 116.094 162.576 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -81.39 -70.68 0.52 Allowed 'General case' 0 CA--C 1.605 3.087 1 O-C-N 116.226 -4.047 . . . . 0.0 117.33 168.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.82 125.98 0.07 OUTLIER Glycine 0 C--O 1.289 3.557 0 N-CA-C 122.637 3.815 . . . . 0.0 122.637 -174.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -83.4 25.94 0.67 Allowed 'Trans proline' 1 CA--C 1.662 6.89 0 CA-C-O 112.764 -3.098 . . . . 0.0 116.486 -170.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp -102.5 -71.43 0.72 Allowed 'General case' 0 N--CA 1.512 2.633 0 O-C-N 126.152 2.157 . . . . 0.0 113.883 -175.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.603 ' SG ' ' CB ' ' A' ' 30' ' ' CYS 0.446 0.6 OUTLIER -106.61 131.25 21.86 Favored Pre-proline 0 C--N 1.378 1.818 0 C-N-CA 128.521 2.728 . . . . 0.0 103.904 -177.402 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.413 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 40.8 Cg_endo -96.97 85.79 0.08 OUTLIER 'Trans proline' 1 CA--C 1.608 4.212 0 C-N-CA 113.992 -3.538 . . . . 0.0 110.552 -165.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 28' ' ' PRO . . . 59.28 57.67 3.33 Favored 'General case' 3 CA--C 1.649 4.773 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 -168.471 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.603 ' CB ' ' SG ' ' A' ' 27' ' ' CYS 0.522 6.0 t -86.86 5.35 37.24 Favored 'General case' 0 C--N 1.271 -2.804 0 CA-C-O 112.418 -3.658 . . . . 0.0 113.017 165.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -34.7 55.39 Favored 'General case' 1 N--CA 1.599 6.998 0 CA-C-N 122.422 2.374 . . . . 0.0 109.86 172.803 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.437 38.3 pttt -68.37 -38.42 81.36 Favored 'General case' 0 C--N 1.39 2.369 0 O-C-N 116.578 -3.826 . . . . 0.0 114.351 176.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.5 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.407 . . -54.91 -30.51 58.55 Favored 'General case' 0 C--O 1.261 1.693 1 O-C-N 112.639 -6.288 . . . . 0.0 119.972 167.454 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -62.04 -45.44 93.56 Favored 'General case' 1 CA--C 1.668 5.49 0 CA-C-O 125.451 2.548 . . . . 0.0 114.783 165.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.341 4.9 mp -51.47 -33.57 31.71 Favored 'General case' 0 C--O 1.254 1.312 0 N-CA-C 121.625 3.935 . . . . 0.0 121.625 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -72.98 -57.43 2.98 Favored Pre-proline 0 N--CA 1.537 3.921 0 O-C-N 128.608 3.692 . . . . 0.0 114.78 164.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.5 ' HD2' ' O ' ' A' ' 33' ' ' ALA . 87.7 Cg_endo -68.0 -15.82 44.07 Favored 'Trans proline' 2 CA--C 1.682 7.922 0 CA-C-O 111.319 -3.701 . . . . 0.0 119.39 -178.274 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 . . . . . 1 CA--C 1.636 4.283 1 O-C-N 132.279 5.987 . . . . 0.0 106.541 173.446 . . . . . . . . 2 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.601 7.087 0 CA-C-O 115.763 -2.065 . . . . 0.0 108.576 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.33 12.6 pt-20 -52.35 -56.24 16.22 Favored 'General case' 0 C--O 1.302 3.829 0 N-CA-C 118.274 2.694 . . . . 0.0 118.274 -174.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.43 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 3.8 tp10 -65.02 -60.93 7.0 Favored Pre-proline 1 CA--C 1.652 4.868 1 O-C-N 114.396 -5.19 . . . . 0.0 114.584 -178.111 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD3' ' HB3' ' A' ' 6' ' ' GLU . 49.9 Cg_endo -70.64 -49.46 0.43 Allowed 'Trans proline' 0 CA--C 1.588 3.219 1 C-N-CA 125.696 4.264 . . . . 0.0 120.782 175.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 m -68.31 -51.44 44.72 Favored 'General case' 0 C--N 1.383 2.046 1 N-CA-C 123.389 4.588 . . . . 0.0 123.389 -174.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.452 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 87.2 m -73.57 -39.38 64.7 Favored 'General case' 1 N--CA 1.586 6.368 1 CA-C-N 103.675 -6.148 . . . . 0.0 107.099 -174.233 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.38 34.7 ttt-85 -56.3 -43.64 79.09 Favored 'General case' 0 C--N 1.374 1.639 0 CA-C-N 125.468 3.758 . . . . 0.0 116.87 163.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -50.17 -38.69 40.94 Favored 'General case' 0 CA--C 1.596 2.714 0 O-C-N 126.158 2.161 . . . . 0.0 116.043 163.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 9' ' ' CYS 0.445 1.5 ptp180 -71.29 -36.07 71.55 Favored 'General case' 0 C--O 1.285 2.961 0 CA-C-O 114.643 -2.599 . . . . 0.0 114.911 171.06 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.373 2.9 m -53.45 -40.33 65.13 Favored 'General case' 0 CA--C 1.629 4.0 0 CA-C-N 121.769 2.077 . . . . 0.0 112.682 176.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -33.96 74.52 Favored 'General case' 0 C--O 1.271 2.225 1 CA-C-O 108.743 -5.408 . . . . 0.0 107.79 162.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.527 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.323 44.4 m170 -57.69 -30.44 65.48 Favored 'General case' 0 CA--C 1.605 3.091 0 CA-C-N 123.27 2.759 . . . . 0.0 110.728 173.12 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.502 ' C ' ' CA ' ' A' ' 16' ' ' LEU 0.391 4.7 tt -44.99 -48.84 30.42 Favored Pre-proline 1 CA--C 1.745 8.467 0 O-C-N 118.398 -2.689 . . . . 0.0 109.581 -173.588 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -40.72 -52.11 3.33 Favored 'Trans proline' 0 N--CA 1.534 3.894 0 C-N-CA 123.556 2.837 . . . . 0.0 111.384 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 15' ' ' HIS 0.399 4.2 pp -58.8 -49.9 75.95 Favored 'General case' 1 N--CA 1.564 5.23 0 C-N-CA 127.977 2.511 . . . . 0.0 115.37 170.728 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.46 47.05 24.94 Favored 'General case' 1 N--CA 1.55 4.529 0 O-C-N 117.824 -3.047 . . . . 0.0 118.848 176.845 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.535 1.7 p90 -104.16 -45.67 4.65 Favored 'General case' 1 N--CA 1.587 6.416 0 O-C-N 120.257 -1.527 . . . . 0.0 113.037 166.454 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 t -91.2 73.52 6.25 Favored 'General case' 1 N--CA 1.563 5.205 1 N-CA-C 98.731 -4.544 . . . . 0.0 98.731 177.282 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.443 0.0 OUTLIER -91.23 -33.06 15.52 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 127.009 2.693 . . . . 0.0 115.614 170.757 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 p -90.89 -68.87 0.76 Allowed 'General case' 1 CA--C 1.645 4.6 0 CA-C-O 113.33 -3.224 . . . . 0.0 108.363 161.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.97 116.56 0.55 Allowed Glycine 1 C--N 1.447 6.71 2 CA-C-O 109.128 -6.373 . . . . 0.0 119.77 -167.324 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.274 60.7 Cg_endo -65.16 2.77 1.25 Allowed 'Trans proline' 1 N--CA 1.629 9.453 2 CA-C-N 127.829 5.814 . . . . 0.0 126.266 167.973 . . . . . . . . 4 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.26 1.1 mp -88.15 -76.28 0.39 Allowed 'General case' 0 C--N 1.425 3.87 0 CA-C-O 121.856 0.836 . . . . 0.0 112.291 -170.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.762 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 23.3 p -100.04 124.61 42.88 Favored Pre-proline 0 C--O 1.301 3.77 2 O-C-N 130.614 4.946 . . . . 0.0 104.63 -179.836 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -84.86 82.36 1.76 Allowed 'Trans proline' 1 CA--C 1.609 4.243 0 N-CA-C 117.286 1.995 . . . . 0.0 117.286 -178.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 51.25 76.46 0.16 Allowed 'General case' 1 N--CA 1.558 4.945 2 N-CA-C 126.096 5.591 . . . . 0.0 126.096 -156.729 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.762 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 9.6 t -102.74 10.75 38.36 Favored 'General case' 0 CA--C 1.62 3.663 2 O-C-N 132.464 6.103 . . . . 0.0 113.243 176.052 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.05 -37.53 22.0 Favored 'General case' 0 C--N 1.423 3.785 1 O-C-N 131.392 5.432 . . . . 0.0 109.156 175.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -74.34 -31.85 62.59 Favored 'General case' 0 C--O 1.198 -1.65 0 CA-C-N 121.768 2.077 . . . . 0.0 114.637 -176.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.332 . . -61.06 -34.61 75.16 Favored 'General case' 0 CA--C 1.6 2.891 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 166.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 m -55.65 -44.69 77.44 Favored 'General case' 1 N--CA 1.597 6.925 0 CA-C-O 123.615 1.674 . . . . 0.0 114.11 165.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -32.1 67.46 Favored 'General case' 0 C--N 1.255 -3.526 0 CA-C-O 112.281 -3.723 . . . . 0.0 111.066 177.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.349 54.4 mt-30 -67.34 -62.53 3.49 Favored Pre-proline 0 CA--C 1.622 3.717 1 CA-C-N 127.881 4.855 . . . . 0.0 111.677 171.553 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.293 8.5 Cg_endo -45.13 -42.32 16.38 Favored 'Trans proline' 1 C--N 1.5 8.541 1 N-CA-C 123.88 4.531 . . . . 0.0 123.88 170.812 . . . . . . . . 4 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.429 14.5 pt-20 . . . . . 2 C--N 1.493 6.83 0 N-CA-C 105.291 -2.115 . . . . 0.0 105.291 -178.655 . . . . . . . . 2 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 CA--C 1.456 -2.671 1 N-CA-C 122.292 4.182 . . . . 0.0 122.292 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.293 11.4 pt-20 -54.24 -52.46 61.26 Favored 'General case' 1 N--CA 1.566 5.363 0 CA-C-N 110.6 -3.0 . . . . 0.0 118.76 -178.519 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.412 ' OE1' ' HA ' ' A' ' 6' ' ' GLU 0.454 0.2 OUTLIER -60.83 -71.38 0.34 Allowed Pre-proline 1 N--CA 1.57 5.575 0 CA-C-O 114.172 -2.823 . . . . 0.0 110.575 179.141 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.57 -47.04 1.07 Allowed 'Trans proline' 0 N--CA 1.533 3.844 1 C-N-CA 127.974 5.783 . . . . 0.0 120.633 -176.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 m -72.77 -56.29 5.47 Favored 'General case' 2 N--CA 1.584 6.243 0 O-C-N 129.072 3.982 . . . . 0.0 112.798 -170.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.0 m -71.84 -38.97 70.03 Favored 'General case' 1 CA--C 1.698 6.637 0 CA-C-N 111.291 -2.686 . . . . 0.0 115.286 -171.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.278 59.8 ttt-85 -55.08 -43.56 74.04 Favored 'General case' 0 C--O 1.28 2.675 0 CA-C-O 113.491 -3.147 . . . . 0.0 111.963 161.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -49.27 -40.33 33.94 Favored 'General case' 0 C--N 1.385 2.116 0 CA-C-N 120.757 1.617 . . . . 0.0 111.794 163.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.481 1.0 OUTLIER -69.25 -35.21 75.88 Favored 'General case' 0 CA--C 1.458 -2.568 0 N-CA-C 120.157 3.391 . . . . 0.0 120.157 173.177 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.275 4.0 m -57.76 -39.53 77.64 Favored 'General case' 1 C--N 1.462 5.458 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -179.553 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -29.9 42.35 Favored 'General case' 1 N--CA 1.549 4.516 0 O-C-N 127.703 3.127 . . . . 0.0 116.951 159.293 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.421 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.252 36.3 m170 -61.02 -26.09 67.37 Favored 'General case' 3 CA--C 1.67 5.592 0 N-CA-C 103.84 -2.652 . . . . 0.0 103.84 176.881 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.322 7.1 tt -55.51 -32.15 11.81 Favored Pre-proline 2 CA--C 1.648 4.743 0 CA-C-N 121.818 2.099 . . . . 0.0 112.436 -170.419 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.329 2.8 Cg_endo -49.34 -51.51 10.55 Favored 'Trans proline' 2 N--CA 1.601 7.849 0 C-N-CA 124.383 3.389 . . . . 0.0 112.351 172.071 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 15' ' ' HIS 0.32 4.3 pp -59.66 -47.52 85.31 Favored 'General case' 1 N--CA 1.602 7.17 0 O-C-N 126.294 2.246 . . . . 0.0 115.528 170.85 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.343 0.8 OUTLIER 53.79 46.99 24.66 Favored 'General case' 1 CA--C 1.632 4.114 1 N-CA-C 122.118 4.118 . . . . 0.0 122.118 178.933 . . . . . . . . 5 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.352 7.4 p90 -108.88 -50.43 3.01 Favored 'General case' 1 C--O 1.349 6.323 0 O-C-N 120.139 -1.601 . . . . 0.0 110.898 168.004 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.24 68.17 9.78 Favored 'General case' 0 CA--C 1.584 2.274 0 O-C-N 119.43 -2.044 . . . . 0.0 111.249 173.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.29 0.0 OUTLIER -81.55 -28.69 33.77 Favored 'General case' 0 C--N 1.428 3.997 0 CA-C-N 112.583 -2.099 . . . . 0.0 116.517 170.498 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 p -93.94 -73.51 0.57 Allowed 'General case' 1 CA--C 1.68 5.967 0 CA-C-O 112.036 -3.84 . . . . 0.0 103.789 166.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.533 ' C ' ' CA ' ' A' ' 25' ' ' PRO . . . 84.3 121.83 0.94 Allowed Glycine 1 N--CA 1.579 8.216 1 CA-C-O 109.604 -6.109 . . . . 0.0 118.642 -166.712 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 1.44 ' CA ' ' N ' ' A' ' 25' ' ' PRO . 13.1 Cg_endo -74.6 6.07 3.43 Favored 'Trans proline' 2 N--CA 1.681 12.5 1 CA-C-N 126.143 4.971 . . . . 0.0 117.666 173.303 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.252 4.9 mp -87.09 -81.52 0.23 Allowed 'General case' 0 N--CA 1.52 3.052 0 CA-C-O 127.083 3.325 . . . . 0.0 111.604 -172.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.685 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 29.3 p -104.38 122.12 44.99 Favored Pre-proline 0 N--CA 1.389 -3.486 1 CA-C-O 131.999 5.666 . . . . 0.0 103.855 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -79.62 77.15 4.19 Favored 'Trans proline' 2 N--CA 1.588 7.033 1 O-C-N 112.245 -4.661 . . . . 0.0 119.469 -178.538 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 57.04 74.43 0.41 Allowed 'General case' 0 CA--C 1.606 3.104 0 CA-C-N 111.474 -2.603 . . . . 0.0 116.06 -161.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.685 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 9.9 t -98.3 3.34 48.71 Favored 'General case' 0 C--O 1.263 1.788 0 C-N-CA 128.916 2.887 . . . . 0.0 116.664 168.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -44.15 48.26 Favored 'General case' 2 N--CA 1.574 5.754 0 CA-C-O 113.361 -3.209 . . . . 0.0 110.236 169.331 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 35' ' ' LEU . 30.7 pttt -64.54 -30.45 71.48 Favored 'General case' 1 N--CA 1.551 4.577 0 CA-C-N 125.37 3.714 . . . . 0.0 120.75 176.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.426 ' O ' ' CD ' ' A' ' 37' ' ' PRO 0.385 . . -61.38 -32.81 72.74 Favored 'General case' 0 C--O 1.26 1.64 0 N-CA-C 118.911 2.93 . . . . 0.0 118.911 164.847 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -53.39 -49.3 67.53 Favored 'General case' 2 N--CA 1.593 6.689 0 CA-C-O 125.358 2.504 . . . . 0.0 112.858 166.476 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 32' ' ' LYS 0.269 0.6 OUTLIER -48.53 -47.25 39.29 Favored 'General case' 0 C--N 1.392 2.451 0 C-N-CA 130.178 3.391 . . . . 0.0 113.708 172.189 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -68.14 -61.88 3.68 Favored Pre-proline 1 CA--C 1.67 5.564 1 CA-C-O 111.382 -4.152 . . . . 0.0 105.648 -179.455 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.426 ' CD ' ' O ' ' A' ' 33' ' ' ALA 0.276 0.9 OUTLIER -50.93 -40.22 58.39 Favored 'Trans proline' 1 CA--C 1.63 5.322 1 C-N-CA 127.586 5.524 . . . . 0.0 119.877 172.594 . . . . . . . . 6 4 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.288 14.0 pt-20 . . . . . 1 N--CA 1.591 6.578 0 CA-C-N 125.521 3.782 . . . . 0.0 112.302 177.328 . . . . . . . . 2 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 116.289 -1.815 . . . . 0.0 115.161 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 8.7 pt-20 -55.32 -53.19 59.28 Favored 'General case' 1 C--O 1.31 4.246 0 O-C-N 126.401 2.313 . . . . 0.0 112.824 -175.029 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.444 0.0 OUTLIER -65.08 -56.51 19.97 Favored Pre-proline 1 N--CA 1.573 5.709 0 CA-C-N 124.78 3.446 . . . . 0.0 114.868 -179.18 . . . . . . . . 4 3 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -83.79 -43.4 0.07 OUTLIER 'Trans proline' 1 C--N 1.467 6.787 0 O-C-N 115.602 -2.894 . . . . 0.0 116.675 -177.855 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m -73.76 -52.16 14.07 Favored 'General case' 0 CA--C 1.584 2.287 1 CA-C-O 129.189 4.328 . . . . 0.0 114.928 -166.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.497 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.483 84.2 m -66.86 -50.95 60.9 Favored 'General case' 0 C--O 1.288 3.081 1 CA-C-N 108.325 -4.034 . . . . 0.0 113.471 179.832 . . . . . . . . 4 3 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.268 73.6 ttt-85 -59.18 -41.08 87.6 Favored 'General case' 1 N--CA 1.633 8.694 0 CA-C-O 112.01 -3.852 . . . . 0.0 104.873 174.465 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -54.6 -33.38 60.29 Favored 'General case' 1 C--N 1.439 4.477 0 CA-C-N 125.558 3.799 . . . . 0.0 108.459 167.085 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.497 ' HG2' ' HA ' ' A' ' 9' ' ' CYS 0.411 2.0 ptp180 -72.25 -35.46 68.8 Favored 'General case' 1 C--O 1.309 4.223 0 CA-C-N 125.006 3.548 . . . . 0.0 112.7 169.5 . . . . . . . . 4 3 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.278 5.6 m -62.14 -41.77 98.6 Favored 'General case' 0 N--CA 1.518 2.961 0 CA-C-N 122.563 2.438 . . . . 0.0 112.142 -177.577 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.393 0.5 OUTLIER -50.07 -31.56 13.44 Favored 'General case' 1 C--O 1.31 4.27 0 O-C-N 125.863 1.977 . . . . 0.0 115.482 160.303 . . . . . . . . 4 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.508 17.1 m170 -57.73 -34.7 69.78 Favored 'General case' 0 C--O 1.259 1.577 0 C-N-CA 128.285 2.634 . . . . 0.0 109.035 168.49 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.587 8.5 tt -42.43 -42.54 6.81 Favored Pre-proline 2 N--CA 1.56 5.04 0 O-C-N 116.956 -3.59 . . . . 0.0 115.101 -176.837 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.422 1.9 Cg_endo -46.55 -53.4 6.11 Favored 'Trans proline' 1 N--CA 1.585 6.873 0 C-N-CA 124.204 3.269 . . . . 0.0 114.537 172.755 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.357 4.7 pp -57.72 -50.07 74.45 Favored 'General case' 1 C--N 1.46 5.407 0 N-CA-C 118.322 2.712 . . . . 0.0 118.322 169.767 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.25 1.2 tt0 52.16 58.12 5.76 Favored 'General case' 1 CA--C 1.683 6.071 0 N-CA-C 121.563 3.912 . . . . 0.0 121.563 -177.717 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.289 4.5 p90 -114.35 -57.37 2.28 Favored 'General case' 0 CA--C 1.605 3.094 0 N-CA-C 105.729 -1.952 . . . . 0.0 105.729 164.404 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.07 56.84 0.79 Allowed 'General case' 1 C--N 1.441 4.575 0 C-N-CA 116.499 -2.08 . . . . 0.0 116.468 173.862 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.301 0.0 OUTLIER -70.48 -31.44 68.57 Favored 'General case' 2 N--CA 1.608 7.468 0 C-N-CA 127.647 2.379 . . . . 0.0 116.102 167.821 . . . . . . . . 4 3 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -97.3 -66.38 0.91 Allowed 'General case' 0 CA--C 1.619 3.633 0 CA-C-N 112.256 -2.247 . . . . 0.0 106.762 171.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.94 127.53 0.52 Allowed Glycine 2 N--CA 1.642 12.368 0 CA-C-O 115.526 -2.819 . . . . 0.0 116.018 -176.154 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -84.65 11.81 3.25 Favored 'Trans proline' 1 CA--C 1.653 6.426 2 CA-C-N 126.761 5.28 . . . . 0.0 123.316 176.897 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mp -96.91 -78.69 0.47 Allowed 'General case' 1 CA--C 1.679 5.92 0 O-C-N 116.665 -3.772 . . . . 0.0 108.496 -171.646 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.522 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 24.2 p -99.41 125.44 41.11 Favored Pre-proline 1 N--CA 1.541 4.092 0 CA-C-O 125.222 2.439 . . . . 0.0 108.061 173.771 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -78.85 79.52 3.35 Favored 'Trans proline' 1 N--CA 1.555 5.104 0 N-CA-C 116.453 1.674 . . . . 0.0 116.453 -178.426 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 57.71 83.5 0.11 Allowed 'General case' 1 CA--C 1.694 6.484 0 C-N-CA 129.057 2.943 . . . . 0.0 109.751 -168.794 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.522 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.33 7.1 t -111.62 3.03 17.62 Favored 'General case' 0 N--CA 1.534 3.743 0 CA-C-N 110.119 -3.218 . . . . 0.0 113.415 172.701 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -38.15 69.79 Favored 'General case' 0 N--CA 1.517 2.884 0 N-CA-C 119.472 3.138 . . . . 0.0 119.472 161.152 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.486 ' HA ' ' HB2' ' A' ' 35' ' ' LEU . 26.6 pttt -56.74 -35.23 68.36 Favored 'General case' 1 N--CA 1.612 7.66 1 N-CA-C 123.418 4.599 . . . . 0.0 123.418 165.061 . . . . . . . . 4 3 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.16 76.63 Favored 'General case' 2 N--CA 1.546 4.351 0 CA-C-O 114.446 -2.692 . . . . 0.0 115.327 167.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -34.8 77.99 Favored 'General case' 1 CA--C 1.631 4.068 0 O-C-N 127.203 2.814 . . . . 0.0 116.303 171.686 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 32' ' ' LYS 0.262 0.6 OUTLIER -48.92 -54.25 16.26 Favored 'General case' 0 C--N 1.41 3.226 1 O-C-N 130.355 4.784 . . . . 0.0 117.106 163.109 . . . . . . . . 5 4 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.255 53.2 mt-30 -62.32 -61.93 6.71 Favored Pre-proline 2 CA--C 1.645 4.617 1 CA-C-O 111.026 -4.321 . . . . 0.0 106.652 179.843 . . . . . . . . 4 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -48.05 -42.82 31.84 Favored 'Trans proline' 0 C--O 1.178 -2.493 3 N-CA-C 124.915 4.929 . . . . 0.0 124.915 169.414 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.297 10.9 pt-20 . . . . . 1 C--O 1.306 4.045 2 O-C-N 111.102 -7.248 . . . . 0.0 120.154 179.637 . . . . . . . . 3 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.401 -2.89 0 N-CA-C 118.105 2.632 . . . . 0.0 118.105 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.252 6.5 pt-20 -33.79 -61.66 0.33 Allowed 'General case' 1 N--CA 1.621 8.123 0 N-CA-C 117.022 2.23 . . . . 0.0 117.022 -174.727 . . . . . . . . 3 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.61 -51.94 37.78 Favored Pre-proline 1 N--CA 1.553 4.706 0 O-C-N 119.433 -2.042 . . . . 0.0 116.0 177.479 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.353 60.6 Cg_endo -76.07 -62.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.526 3.416 0 N-CA-C 121.545 3.633 . . . . 0.0 121.545 -174.59 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.3 m -76.31 -46.06 29.48 Favored 'General case' 1 N--CA 1.579 6.02 1 O-C-N 113.63 -5.669 . . . . 0.0 111.55 -176.214 . . . . . . . . 3 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.33 81.3 m -56.67 -32.07 65.05 Favored 'General case' 0 N--CA 1.534 3.741 1 O-C-N 130.708 5.005 . . . . 0.0 117.574 175.591 . . . . . . . . 3 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.3 ttt-85 -71.21 -61.94 1.58 Allowed 'General case' 0 C--O 1.282 2.808 0 C-N-CA 127.949 2.499 . . . . 0.0 106.372 171.062 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -44.09 -39.92 4.56 Favored 'General case' 2 C--N 1.453 5.067 1 C-N-CA 109.011 -5.076 . . . . 0.0 121.604 163.091 . . . . . . . . 3 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER -58.48 -40.1 81.8 Favored 'General case' 0 C--O 1.266 1.97 0 N-CA-C 119.468 3.136 . . . . 0.0 119.468 171.364 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.2 m -48.24 -40.3 24.14 Favored 'General case' 1 N--CA 1.544 4.274 1 N-CA-C 122.785 4.365 . . . . 0.0 122.785 167.369 . . . . . . . . 3 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.39 -28.43 19.63 Favored 'General case' 1 N--CA 1.583 6.181 0 N-CA-C 120.641 3.571 . . . . 0.0 120.641 162.355 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.386 12.4 m170 -54.46 -32.26 57.28 Favored 'General case' 0 CA--C 1.599 2.836 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 166.49 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.19 -49.74 83.07 Favored Pre-proline 0 N--CA 1.53 3.562 0 CA-C-O 112.178 -3.772 . . . . 0.0 117.435 -170.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -44.89 -38.32 13.05 Favored 'Trans proline' 0 C--N 1.403 3.433 1 CA-C-N 131.21 5.039 . . . . 0.0 114.828 162.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.484 0.3 OUTLIER -63.1 -54.5 36.92 Favored 'General case' 2 CA--C 1.677 5.834 0 CA-C-O 112.824 -3.465 . . . . 0.0 113.379 171.813 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 69.25 64.75 0.28 Allowed 'General case' 0 CA--C 1.626 3.884 0 O-C-N 127.143 2.777 . . . . 0.0 113.277 170.256 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -129.96 -27.22 2.31 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 111.763 -3.97 . . . . 0.0 120.571 160.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.5 t -98.34 47.34 0.99 Allowed 'General case' 1 C--N 1.455 5.174 0 CA-C-N 124.65 3.386 . . . . 0.0 108.053 158.086 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER -54.09 -41.4 68.19 Favored 'General case' 2 CA--C 1.655 4.987 0 O-C-N 124.981 1.426 . . . . 0.0 113.05 172.235 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.15 -35.81 19.92 Favored 'General case' 0 N--CA 1.491 1.576 1 N-CA-C 126.356 5.687 . . . . 0.0 126.356 171.637 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.78 104.33 0.71 Allowed Glycine 1 N--CA 1.521 4.343 0 N-CA-C 121.547 3.379 . . . . 0.0 121.547 176.832 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -79.39 -21.64 8.76 Favored 'Trans proline' 1 CA--C 1.616 4.621 0 N-CA-C 120.104 3.078 . . . . 0.0 120.104 171.209 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.276 0.3 OUTLIER -78.68 -50.75 10.91 Favored 'General case' 0 C--N 1.389 2.285 1 CA-C-O 108.106 -5.711 . . . . 0.0 115.654 172.115 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.582 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 27.7 p -130.47 98.6 20.11 Favored Pre-proline 0 C--N 1.428 3.996 0 CA-C-N 125.132 3.606 . . . . 0.0 101.738 169.056 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 1.439 ' CG ' ' CB ' ' A' ' 28' ' ' PRO . 60.2 Cg_endo -83.75 145.48 11.51 Favored 'Trans proline' 2 C--N 1.44 5.362 0 N-CA-C 109.676 -0.932 . . . . 0.0 109.676 -170.185 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 49.46 30.24 3.29 Favored 'General case' 1 CA--C 1.642 4.511 0 CA-C-O 113.495 -3.145 . . . . 0.0 117.832 -167.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . 0.262 3.7 t -71.98 -18.44 61.99 Favored 'General case' 2 CA--C 1.683 6.074 1 N-CA-C 125.509 5.374 . . . . 0.0 125.509 163.331 . . . . . . . . 4 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.444 ' O ' ' HB ' ' A' ' 34' ' ' THR . 2.3 ttt -70.27 -55.12 10.01 Favored 'General case' 2 N--CA 1.592 6.647 0 CA-C-O 114.078 -2.868 . . . . 0.0 107.406 -178.758 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -45.1 -45.3 11.09 Favored 'General case' 1 N--CA 1.541 4.097 0 O-C-N 126.293 2.246 . . . . 0.0 116.491 -178.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.429 ' O ' ' HD2' ' A' ' 37' ' ' PRO . . . -69.14 -26.79 65.06 Favored 'General case' 1 N--CA 1.555 4.776 1 N-CA-C 122.656 4.317 . . . . 0.0 122.656 173.978 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' A' ' 31' ' ' MET 0.329 60.1 m -47.96 -44.21 30.1 Favored 'General case' 1 CA--C 1.739 8.243 0 O-C-N 127.365 2.916 . . . . 0.0 109.007 171.745 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.404 1.1 mt -64.21 -28.21 69.59 Favored 'General case' 0 C--N 1.383 2.035 0 CA-C-N 109.633 -3.439 . . . . 0.0 114.144 -170.7 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -66.0 -60.38 7.18 Favored Pre-proline 0 CA--C 1.607 3.168 1 CA-C-O 108.059 -5.734 . . . . 0.0 107.567 173.301 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HD2' ' O ' ' A' ' 33' ' ' ALA . 10.6 Cg_endo -77.52 -26.57 7.06 Favored 'Trans proline' 0 CA--C 1.588 3.182 0 CA-C-N 124.975 2.812 . . . . 0.0 119.392 -175.05 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.294 5.3 pt-20 . . . . . 0 CA--C 1.573 1.853 0 CA-C-N 119.52 1.055 . . . . 0.0 110.237 -171.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.528 3.452 0 N-CA-C 117.713 2.486 . . . . 0.0 117.713 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 9' ' ' CYS 0.306 2.4 pt-20 -43.94 -62.13 1.22 Allowed 'General case' 1 CA--C 1.63 4.058 0 C-N-CA 125.313 1.445 . . . . 0.0 113.785 -169.896 . . . . . . . . 4 3 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.414 2.2 tp10 -59.02 -57.86 23.91 Favored Pre-proline 1 CA--C 1.63 4.041 0 O-C-N 126.854 2.596 . . . . 0.0 112.09 178.543 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.324 58.2 Cg_endo -76.61 -64.16 0.03 OUTLIER 'Trans proline' 1 N--CA 1.56 5.425 1 N-CA-C 122.589 4.034 . . . . 0.0 122.589 -174.212 . . . . . . . . 4 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.282 51.8 m -73.21 -38.93 65.91 Favored 'General case' 0 CA--C 1.598 2.79 1 O-C-N 115.19 -4.694 . . . . 0.0 114.804 -172.531 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.486 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.287 81.1 m -66.68 -33.72 76.28 Favored 'General case' 1 C--N 1.453 5.085 0 C-N-CA 129.242 3.017 . . . . 0.0 110.989 -177.117 . . . . . . . . 4 3 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.8 ttt-85 -66.37 -53.45 35.9 Favored 'General case' 0 N--CA 1.518 2.929 0 O-C-N 126.099 2.125 . . . . 0.0 112.242 166.627 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -52.67 -45.96 67.0 Favored 'General case' 0 CA--C 1.586 2.338 0 CA-C-N 122.561 2.437 . . . . 0.0 106.099 166.393 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HG2' ' HA ' ' A' ' 9' ' ' CYS 0.43 0.0 OUTLIER -52.33 -48.13 65.64 Favored 'General case' 0 C--N 1.389 2.285 0 N-CA-C 119.934 3.309 . . . . 0.0 119.934 176.126 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.3 m -49.61 -34.71 18.76 Favored 'General case' 2 N--CA 1.613 7.724 0 O-C-N 117.609 -3.182 . . . . 0.0 115.295 175.813 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -59.37 -38.31 80.15 Favored 'General case' 2 CA--C 1.65 4.802 0 O-C-N 127.219 2.825 . . . . 0.0 110.72 172.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.417 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.454 12.0 m170 -41.37 -28.25 0.11 Allowed 'General case' 1 CA--C 1.662 5.25 0 O-C-N 119.684 -1.885 . . . . 0.0 114.865 167.596 . . . . . . . . 4 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.264 1.4 tt -59.55 -55.61 44.15 Favored Pre-proline 1 N--CA 1.555 4.786 1 CA-C-O 108.523 -5.513 . . . . 0.0 113.372 -164.983 . . . . . . . . 4 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -47.1 -37.39 23.01 Favored 'Trans proline' 1 CA--C 1.626 5.111 1 CA-C-O 110.379 -4.092 . . . . 0.0 109.662 169.99 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 15' ' ' HIS 0.597 3.9 pp -59.69 -54.35 47.39 Favored 'General case' 1 N--CA 1.572 5.635 1 N-CA-C 122.572 4.286 . . . . 0.0 122.572 167.375 . . . . . . . . 5 3 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.328 13.6 tt0 69.53 62.05 0.28 Allowed 'General case' 0 C--O 1.26 1.632 0 N-CA-C 118.863 2.912 . . . . 0.0 118.863 170.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.295 16.5 p90 -126.05 -36.22 2.37 Favored 'General case' 0 N--CA 1.527 3.398 1 N-CA-C 123.556 4.65 . . . . 0.0 123.556 166.502 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.4 t -105.41 49.88 0.79 Allowed 'General case' 0 N--CA 1.534 3.733 0 CA-C-O 127.547 3.546 . . . . 0.0 107.976 164.211 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -39.85 88.96 Favored 'General case' 0 C--N 1.412 3.286 1 O-C-N 115.486 -4.509 . . . . 0.0 110.246 170.52 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.428 3.0 p -79.79 -53.12 7.09 Favored 'General case' 0 CA--C 1.607 3.157 0 N-CA-C 121.645 3.943 . . . . 0.0 121.645 170.751 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.32 110.08 2.92 Favored Glycine 1 CA--C 1.587 4.533 0 O-C-N 127.634 3.084 . . . . 0.0 115.4 176.481 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.251 82.1 Cg_endo -82.81 -31.76 0.7 Allowed 'Trans proline' 1 CA--C 1.613 4.428 0 CA-C-N 121.741 2.77 . . . . 0.0 119.113 168.982 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.91 -69.05 0.39 Allowed 'General case' 0 C--N 1.287 -2.109 1 CA-C-O 109.814 -4.898 . . . . 0.0 105.627 175.927 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.504 ' O ' ' SG ' ' A' ' 27' ' ' CYS 0.254 32.1 p -107.92 91.84 8.26 Favored Pre-proline 2 N--CA 1.6 7.042 2 CA-C-O 107.689 -5.91 . . . . 0.0 106.799 173.543 . . . . . . . . 5 3 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -74.97 145.8 31.99 Favored 'Trans proline' 1 N--CA 1.564 5.676 0 CA-C-N 128.28 3.993 . . . . 0.0 109.324 -175.634 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 53.53 26.46 5.63 Favored 'General case' 1 CA--C 1.647 4.684 1 N-CA-C 121.831 4.012 . . . . 0.0 121.831 -174.391 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.9 t -80.08 -14.15 58.74 Favored 'General case' 0 C--N 1.423 3.78 1 CA-C-O 110.25 -4.691 . . . . 0.0 116.778 171.811 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ttt -77.29 -53.17 8.03 Favored 'General case' 1 CA--C 1.682 6.024 2 CA-C-N 134.66 7.936 . . . . 0.0 106.986 -173.187 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -44.07 -44.87 7.75 Favored 'General case' 0 C--N 1.393 2.466 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.312 . . -59.34 -48.09 82.94 Favored 'General case' 1 N--CA 1.602 7.161 0 CA-C-O 112.184 -3.769 . . . . 0.0 113.138 174.9 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -32.61 -49.55 0.22 Allowed 'General case' 1 CA--C 1.704 6.898 1 O-C-N 129.372 4.17 . . . . 0.0 114.214 169.652 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.473 1.1 mt -60.33 -38.35 83.47 Favored 'General case' 0 CA--C 1.446 -3.041 0 C-N-CA 129.435 3.094 . . . . 0.0 114.922 -172.145 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.633 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 2.0 mt-30 -60.19 -63.27 4.46 Favored Pre-proline 1 N--CA 1.541 4.106 1 CA-C-O 108.372 -5.585 . . . . 0.0 112.145 170.362 . . . . . . . . 4 3 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.633 ' HD3' ' HB2' ' A' ' 36' ' ' GLN 0.291 18.5 Cg_endo -64.39 -35.66 48.81 Favored 'Trans proline' 0 C--O 1.306 3.877 2 C-N-CA 129.157 6.571 . . . . 0.0 121.259 178.547 . . . . . . . . 4 3 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.42 5.0 pt-20 . . . . . 0 C--N 1.413 3.332 0 O-C-N 126.901 2.626 . . . . 0.0 107.36 -167.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.279 7.2 t . . . . . 0 N--CA 1.419 -1.991 0 N-CA-C 119.38 3.104 . . . . 0.0 119.38 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.312 0.6 OUTLIER -41.69 -63.46 0.71 Allowed 'General case' 1 C--N 1.443 4.669 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -170.28 . . . . . . . . 4 3 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.293 12.4 tp10 -62.99 -53.04 58.79 Favored Pre-proline 1 N--CA 1.58 6.058 1 CA-C-O 110.326 -4.654 . . . . 0.0 109.55 -168.455 . . . . . . . . 4 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -70.09 -52.14 0.32 Allowed 'Trans proline' 1 N--CA 1.588 7.051 2 CA-C-N 131.533 5.155 . . . . 0.0 125.023 178.725 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 m -73.1 -63.7 1.12 Allowed 'General case' 1 CA--C 1.7 6.741 1 O-C-N 115.696 -4.377 . . . . 0.0 112.452 -173.48 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.432 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.422 80.7 m -45.38 -35.36 3.57 Favored 'General case' 1 C--O 1.329 5.278 0 O-C-N 128.482 3.614 . . . . 0.0 115.104 -176.657 . . . . . . . . 4 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.262 4.2 ttt180 -67.54 -52.97 32.58 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-O 115.005 -2.426 . . . . 0.0 107.665 175.613 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.604 62.6 m-20 -54.12 -49.96 67.97 Favored 'General case' 3 C--O 1.323 4.962 0 CA-C-O 111.763 -3.97 . . . . 0.0 113.202 166.163 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.258 2.2 ptp180 -56.37 -37.71 70.44 Favored 'General case' 1 CA--C 1.634 4.178 0 O-C-N 129.072 3.983 . . . . 0.0 109.918 177.033 . . . . . . . . 4 3 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.399 4.9 m -40.89 -33.54 0.31 Allowed 'General case' 1 N--CA 1.54 4.031 0 N-CA-C 120.937 3.681 . . . . 0.0 120.937 167.629 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.331 3.6 mpt_? -64.1 -27.45 69.1 Favored 'General case' 2 CA--C 1.665 5.399 0 O-C-N 116.994 -3.566 . . . . 0.0 111.558 171.636 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 26.6 m170 -65.07 -34.3 78.09 Favored 'General case' 0 C--O 1.275 2.429 1 CA-C-O 111.065 -4.302 . . . . 0.0 109.524 165.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.313 5.7 tt -47.58 -42.4 43.25 Favored Pre-proline 0 N--CA 1.529 3.522 1 N-CA-C 121.824 4.009 . . . . 0.0 121.824 -165.927 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -45.87 -45.33 17.32 Favored 'Trans proline' 1 N--CA 1.589 7.146 0 C-N-CA 124.716 3.611 . . . . 0.0 117.83 163.294 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 19' ' ' GLN . 3.4 pp -71.01 -32.12 68.82 Favored 'General case' 2 N--CA 1.548 4.455 0 O-C-N 116.673 -3.767 . . . . 0.0 116.259 175.356 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.502 ' N ' HD12 ' A' ' 18' ' ' LEU 0.626 3.8 tt0 61.71 62.2 1.32 Allowed 'General case' 0 CA--C 1.601 2.906 1 O-C-N 114.332 -5.23 . . . . 0.0 116.221 169.995 . . . . . . . . 4 3 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.53 -42.31 1.65 Allowed 'General case' 1 C--O 1.315 4.528 0 O-C-N 125.193 1.558 . . . . 0.0 112.986 165.237 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.306 0.3 OUTLIER -108.13 65.6 0.64 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 118.005 -2.934 . . . . 0.0 108.754 172.222 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.781 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -72.45 -55.07 7.6 Favored 'General case' 0 CA--C 1.575 1.925 0 N-CA-C 118.772 2.879 . . . . 0.0 118.772 168.646 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 p -77.82 -26.66 49.65 Favored 'General case' 1 CA--C 1.669 5.525 0 CA-C-N 110.811 -2.904 . . . . 0.0 115.954 162.362 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.91 101.07 0.04 OUTLIER Glycine 1 CA--C 1.602 5.483 0 CA-C-O 118.984 -0.898 . . . . 0.0 115.041 172.468 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.357 7.2 Cg_endo -62.62 -5.34 6.98 Favored 'Trans proline' 0 C--N 1.379 2.15 2 CA-C-N 126.907 5.353 . . . . 0.0 125.236 -170.879 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.278 1.1 mp -104.75 -35.5 7.75 Favored 'General case' 1 CA--C 1.673 5.708 0 CA-C-O 115.241 -2.314 . . . . 0.0 112.679 -178.817 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 15.3 p -123.04 104.61 35.34 Favored Pre-proline 1 CA--C 1.737 8.154 0 CA-C-O 124.992 2.329 . . . . 0.0 104.75 169.274 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -92.42 90.29 0.19 Allowed 'Trans proline' 0 CA--C 1.591 3.348 1 CA-C-O 131.774 4.822 . . . . 0.0 110.651 -171.634 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 87.56 55.16 0.01 OUTLIER 'General case' 1 N--CA 1.543 4.213 1 CA-C-N 105.624 -5.262 . . . . 0.0 112.801 -175.083 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.588 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.448 37.1 t -97.7 -11.53 23.38 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 119.492 3.145 . . . . 0.0 119.492 167.226 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.303 2.5 ttp -76.05 -14.55 60.21 Favored 'General case' 0 C--N 1.398 2.681 1 O-C-N 116.276 -4.015 . . . . 0.0 120.084 -178.02 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.526 ' C ' ' CA ' ' A' ' 33' ' ' ALA . 4.1 pttt -79.04 -35.13 43.14 Favored 'General case' 0 C--N 1.381 1.967 0 C-N-CA 124.684 1.194 . . . . 0.0 111.958 174.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 1.551 ' CA ' ' N ' ' A' ' 33' ' ' ALA 0.376 . . -69.67 -36.79 76.33 Favored 'General case' 1 N--CA 1.694 11.757 0 O-C-N 118.75 -2.469 . . . . 0.0 108.669 174.052 . . . . . . . . 4 3 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 m -43.36 -39.65 3.26 Favored 'General case' 0 C--O 1.188 -2.145 0 N-CA-C 120.817 3.636 . . . . 0.0 120.817 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mp -67.12 -39.38 86.63 Favored 'General case' 0 CA--C 1.612 3.363 1 CA-C-O 111.647 -4.025 . . . . 0.0 115.02 176.281 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.298 7.3 mt-30 -64.07 -64.56 2.72 Favored Pre-proline 0 CA--C 1.602 2.944 2 CA-C-O 109.083 -5.246 . . . . 0.0 110.652 -175.232 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -74.42 -15.34 22.34 Favored 'Trans proline' 0 C--O 1.286 2.905 0 CA-C-N 126.383 3.315 . . . . 0.0 115.193 166.401 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.319 0.2 OUTLIER . . . . . 0 N--CA 1.523 3.197 2 CA-C-N 129.673 5.669 . . . . 0.0 113.085 168.496 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.274 13.2 t . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.996 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.34 -67.91 0.18 Allowed 'General case' 2 C--N 1.497 6.986 0 CA-C-O 123.564 1.649 . . . . 0.0 114.107 -165.227 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.266 14.2 tp10 -55.35 -53.54 60.86 Favored Pre-proline 0 N--CA 1.531 3.587 0 CA-C-O 112.416 -3.659 . . . . 0.0 119.445 -172.264 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 1.503 ' C ' ' CA ' ' A' ' 7' ' ' PRO . 20.0 Cg_endo -71.67 -55.13 0.13 Allowed 'Trans proline' 2 CA--C 1.77 12.309 1 CA-C-N 133.226 5.759 . . . . 0.0 115.372 177.529 . . . . . . . . 4 3 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.452 ' N ' ' CA ' ' A' ' 7' ' ' PRO . 2.4 m -71.24 -57.14 4.77 Favored 'General case' 0 CA--C 1.609 3.227 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -171.596 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.498 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.286 77.8 m -55.71 -33.76 64.49 Favored 'General case' 0 CA--C 1.625 3.828 0 N-CA-C 118.825 2.898 . . . . 0.0 118.825 -174.875 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -55.09 -56.48 19.35 Favored 'General case' 0 CA--C 1.607 3.149 0 CA-C-O 113.603 -3.094 . . . . 0.0 109.922 166.481 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.452 75.3 m-20 -56.95 -45.04 83.09 Favored 'General case' 1 CA--C 1.648 4.726 0 CA-C-N 121.498 1.953 . . . . 0.0 113.768 171.878 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.503 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.52 0.3 OUTLIER -54.79 -34.67 62.97 Favored 'General case' 0 CA--C 1.579 2.067 1 CA-C-O 110.915 -4.374 . . . . 0.0 111.663 170.353 . . . . . . . . 5 4 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.391 4.8 m -52.56 -31.51 36.33 Favored 'General case' 1 CA--C 1.65 4.81 0 CA-C-N 124.191 3.178 . . . . 0.0 116.932 170.815 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.344 2.1 mpt_? -61.13 -32.22 71.92 Favored 'General case' 1 C--O 1.359 6.866 0 O-C-N 127.951 3.282 . . . . 0.0 113.426 168.35 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.503 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 44.0 m170 -58.6 -23.71 59.34 Favored 'General case' 1 CA--C 1.664 5.33 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 169.145 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.541 4.8 tt -49.51 -51.54 57.82 Favored Pre-proline 0 N--CA 1.521 3.091 0 N-CA-C 117.423 2.379 . . . . 0.0 117.423 -166.118 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 1.565 ' CG ' ' CD ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -48.11 -38.79 33.05 Favored 'Trans proline' 1 N--CA 1.539 4.168 1 CA-C-O 108.808 -4.747 . . . . 0.0 115.807 164.302 . . . . . . . . 5 4 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 19' ' ' GLN . 3.2 pp -74.37 -34.38 63.34 Favored 'General case' 1 N--CA 1.567 5.419 0 CA-C-N 123.889 3.04 . . . . 0.0 117.089 170.791 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.558 ' N ' HD12 ' A' ' 18' ' ' LEU 0.518 4.0 tt0 66.58 63.06 0.52 Allowed 'General case' 1 N--CA 1.561 5.105 0 C-N-CA 131.211 3.804 . . . . 0.0 115.208 168.295 . . . . . . . . 4 3 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.402 ' CE1' HD13 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -123.67 -37.44 2.63 Favored 'General case' 0 CA--C 1.628 3.961 1 O-C-N 114.93 -4.856 . . . . 0.0 115.904 161.941 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.51 61.59 0.67 Allowed 'General case' 1 CA--C 1.643 4.539 0 O-C-N 128.777 3.798 . . . . 0.0 112.571 173.392 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.496 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -67.29 -52.69 37.48 Favored 'General case' 0 C--O 1.271 2.229 0 O-C-N 128.608 3.693 . . . . 0.0 118.996 167.747 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.362 54.2 p -90.77 -11.39 39.64 Favored 'General case' 0 CA--C 1.589 2.465 0 CA-C-O 125.083 2.373 . . . . 0.0 113.997 167.305 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.25 95.16 0.01 OUTLIER Glycine 3 CA--C 1.625 6.943 2 O-C-N 113.289 -5.882 . . . . 0.0 117.364 173.137 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.555 10.0 Cg_endo -45.91 -16.94 0.23 Allowed 'Trans proline' 0 CA--C 1.589 3.251 1 N-CA-C 125.558 5.176 . . . . 0.0 125.558 -176.149 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.97 -44.44 8.06 Favored 'General case' 0 C--N 1.264 -3.124 0 N-CA-C 119.127 3.01 . . . . 0.0 119.127 177.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.597 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 12.2 p -117.54 91.94 39.42 Favored Pre-proline 2 CA--C 1.68 5.953 0 C-N-CA 128.737 2.815 . . . . 0.0 111.578 171.261 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.93 92.1 1.16 Allowed 'Trans proline' 2 N--CA 1.546 4.61 0 C-N-CA 123.156 2.57 . . . . 0.0 112.168 -169.72 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.362 . . 81.88 50.75 0.02 OUTLIER 'General case' 0 CA--C 1.602 2.943 0 N-CA-C 118.799 2.888 . . . . 0.0 118.799 -170.399 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.597 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 47.0 t -100.44 -16.6 17.52 Favored 'General case' 1 CA--C 1.662 5.258 0 CA-C-O 116.273 -1.822 . . . . 0.0 112.436 177.354 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ttp -73.39 -16.1 61.34 Favored 'General case' 0 N--CA 1.5 2.03 1 N-CA-C 124.044 4.831 . . . . 0.0 124.044 179.75 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -82.78 -35.49 26.46 Favored 'General case' 0 C--N 1.257 -3.439 0 CA-C-N 112.418 -2.173 . . . . 0.0 113.953 177.244 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.321 . . -67.64 -35.63 79.27 Favored 'General case' 1 C--N 1.47 5.834 0 CA-C-O 116.335 -1.793 . . . . 0.0 114.199 168.697 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 m -42.47 -40.33 2.55 Favored 'General case' 0 N--CA 1.526 3.368 0 CA-C-O 115.469 -2.205 . . . . 0.0 116.48 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mp -69.46 -37.45 77.31 Favored 'General case' 0 C--N 1.267 -3.018 0 CA-C-O 114.547 -2.644 . . . . 0.0 113.946 179.272 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -73.39 -56.33 3.2 Favored Pre-proline 0 CA--C 1.596 2.732 0 CA-C-O 113.109 -3.329 . . . . 0.0 108.084 -171.814 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -74.0 -18.7 21.21 Favored 'Trans proline' 1 CA--C 1.619 4.726 1 CA-C-O 110.184 -4.173 . . . . 0.0 118.856 167.701 . . . . . . . . 4 3 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 2 CA--C 1.648 4.725 0 O-C-N 126.964 2.665 . . . . 0.0 114.986 168.164 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.8 t . . . . . 2 N--CA 1.595 6.777 1 CA-C-O 111.166 -4.254 . . . . 0.0 107.737 . . . . . . . . . 2 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.31 1.7 pt-20 -33.35 -66.71 0.14 Allowed 'General case' 0 N--CA 1.538 3.967 0 O-C-N 128.485 3.616 . . . . 0.0 118.47 -167.645 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.363 16.1 tp10 -55.95 -51.87 77.03 Favored Pre-proline 0 C--N 1.273 -2.748 1 N-CA-C 126.815 5.857 . . . . 0.0 126.815 -177.187 . . . . . . . . 3 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 1.515 ' CA ' ' C ' ' A' ' 7' ' ' PRO . 36.5 Cg_endo -72.65 -49.85 0.25 Allowed 'Trans proline' 1 CA--C 1.769 12.258 0 CA-C-N 124.82 2.757 . . . . 0.0 118.121 169.597 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -45.95 17.26 Favored 'General case' 0 CA--C 1.478 -1.796 2 N-CA-C 123.011 4.448 . . . . 0.0 123.011 -174.577 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.412 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 71.9 m -68.64 -33.02 73.29 Favored 'General case' 1 C--O 1.325 5.066 0 O-C-N 116.345 -3.972 . . . . 0.0 116.07 -179.86 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.349 2.6 ttt180 -57.8 -47.97 81.05 Favored 'General case' 1 N--CA 1.557 4.876 2 O-C-N 115.967 -4.208 . . . . 0.0 115.758 160.897 . . . . . . . . 4 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -66.26 -25.14 66.75 Favored 'General case' 0 N--CA 1.512 2.664 1 CA-C-N 126.492 4.224 . . . . 0.0 113.831 170.846 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.552 0.2 OUTLIER -62.56 -35.97 81.17 Favored 'General case' 1 N--CA 1.583 6.175 1 O-C-N 114.374 -5.204 . . . . 0.0 112.924 164.94 . . . . . . . . 6 4 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -55.42 -33.17 63.31 Favored 'General case' 0 C--N 1.415 3.437 0 O-C-N 116.924 -3.61 . . . . 0.0 117.743 172.605 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.297 2.1 mpt_? -52.19 -34.56 45.86 Favored 'General case' 1 CA--C 1.63 4.035 0 O-C-N 128.877 3.861 . . . . 0.0 118.934 165.657 . . . . . . . . 3 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.559 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.273 53.0 m170 -50.33 -34.97 25.61 Favored 'General case' 1 CA--C 1.666 5.427 1 CA-C-N 105.301 -5.409 . . . . 0.0 118.708 167.736 . . . . . . . . 5 3 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.416 HD23 ' HD3' ' A' ' 17' ' ' PRO 0.401 3.9 tt -50.64 -53.02 50.82 Favored Pre-proline 1 N--CA 1.595 6.798 2 O-C-N 115.077 -4.764 . . . . 0.0 106.612 -155.796 . . . . . . . . 5 3 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HD3' HD23 ' A' ' 16' ' ' LEU . 15.7 Cg_exo -47.55 -45.89 22.03 Favored 'Trans proline' 2 N--CA 1.38 -5.163 2 C-N-CA 127.386 5.391 . . . . 0.0 113.503 164.714 . . . . . . . . 4 3 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 19' ' ' GLN 0.506 1.7 pp -57.33 -47.53 81.32 Favored 'General case' 0 CA--C 1.608 3.189 2 CA-C-N 128.195 4.998 . . . . 0.0 122.028 170.103 . . . . . . . . 4 3 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.527 ' N ' HD12 ' A' ' 18' ' ' LEU 0.356 6.3 tt0 70.52 56.81 0.26 Allowed 'General case' 0 C--N 1.415 3.425 0 N-CA-C 119.795 3.257 . . . . 0.0 119.795 172.363 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.488 ' CE1' HD13 ' A' ' 18' ' ' LEU . 2.6 p90 -123.71 -32.34 3.33 Favored 'General case' 2 N--CA 1.616 7.858 1 O-C-N 116.223 -4.048 . . . . 0.0 111.446 168.669 . . . . . . . . 4 3 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.305 0.2 OUTLIER -116.34 48.65 1.23 Allowed 'General case' 0 CA--C 1.572 1.818 0 CA-C-O 126.988 3.28 . . . . 0.0 118.236 177.804 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.491 0.0 OUTLIER -58.07 -67.41 0.35 Allowed 'General case' 0 C--N 1.393 2.462 1 C-N-CA 133.126 4.57 . . . . 0.0 112.284 171.868 . . . . . . . . 4 3 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 52.8 p -84.19 -9.19 58.75 Favored 'General case' 1 CA--C 1.636 4.257 1 O-C-N 129.607 4.317 . . . . 0.0 111.1 173.684 . . . . . . . . 3 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.67 97.48 0.01 OUTLIER Glycine 2 N--CA 1.6 9.608 1 CA-C-O 113.208 -4.107 . . . . 0.0 120.059 -177.571 . . . . . . . . 3 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.323 1.7 Cg_endo -48.15 -15.96 0.53 Allowed 'Trans proline' 2 N--CA 1.572 6.119 0 CA-C-N 123.761 3.781 . . . . 0.0 118.577 -179.208 . . . . . . . . 3 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.53 -35.78 9.41 Favored 'General case' 1 C--N 1.429 4.053 0 O-C-N 118.167 -2.833 . . . . 0.0 117.279 -176.466 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.664 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 16.1 p -123.09 88.01 51.07 Favored Pre-proline 1 C--N 1.443 4.651 0 O-C-N 120.002 -1.686 . . . . 0.0 112.578 171.263 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -68.01 93.9 0.4 Allowed 'Trans proline' 2 C--N 1.511 9.103 1 C-N-CA 126.356 4.704 . . . . 0.0 116.829 -170.412 . . . . . . . . 3 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.371 . . 76.74 58.96 0.04 OUTLIER 'General case' 1 CA--C 1.652 4.903 1 O-C-N 129.767 4.417 . . . . 0.0 115.932 -169.696 . . . . . . . . 4 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.664 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 53.8 t -110.31 -14.72 14.1 Favored 'General case' 0 CA--C 1.62 3.638 0 O-C-N 119.289 -2.132 . . . . 0.0 111.996 176.724 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ttp -73.75 -16.96 61.16 Favored 'General case' 0 CA--C 1.607 3.168 0 N-CA-C 121.456 3.873 . . . . 0.0 121.456 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -86.39 -27.24 24.33 Favored 'General case' 0 CA--C 1.619 3.601 1 CA-C-O 110.621 -4.514 . . . . 0.0 119.613 171.72 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.403 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.338 . . -69.62 -34.74 74.51 Favored 'General case' 0 C--O 1.209 -1.032 1 O-C-N 131.33 5.394 . . . . 0.0 115.898 165.688 . . . . . . . . 4 3 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.288 17.2 m -48.92 -37.97 21.45 Favored 'General case' 0 CA--C 1.618 3.567 0 N-CA-C 121.309 3.818 . . . . 0.0 121.309 -176.446 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.296 4.6 mp -58.36 -49.19 78.11 Favored 'General case' 1 C--N 1.432 4.164 0 CA-C-N 111.964 -2.38 . . . . 0.0 113.254 174.211 . . . . . . . . 3 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -65.24 -56.45 19.79 Favored Pre-proline 1 C--N 1.444 4.694 0 C-N-CA 114.678 -2.809 . . . . 0.0 112.236 -168.679 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.452 6.3 Cg_exo -64.11 -30.47 65.56 Favored 'Trans proline' 1 C--N 1.428 4.741 1 CA-C-O 108.853 -4.728 . . . . 0.0 115.819 171.72 . . . . . . . . 5 3 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.292 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.841 1 CA-C-N 128.719 5.236 . . . . 0.0 113.12 171.347 . . . . . . . . 3 2 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.0 t . . . . . 2 N--CA 1.583 6.2 0 CA-C-O 115.07 -2.395 . . . . 0.0 108.582 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.354 0.6 OUTLIER -21.44 -79.58 0.01 OUTLIER 'General case' 1 CA--C 1.698 6.651 0 CA-C-O 112.096 -3.811 . . . . 0.0 114.702 -172.783 . . . . . . . . 4 3 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -54.91 -41.09 88.58 Favored Pre-proline 0 CA--C 1.612 3.336 2 O-C-N 130.764 5.04 . . . . 0.0 123.25 -164.163 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.35 -62.92 0.03 OUTLIER 'Trans proline' 1 N--CA 1.54 4.252 0 C-N-CA 123.659 2.906 . . . . 0.0 113.384 172.497 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.324 1.6 m -70.58 -45.44 65.37 Favored 'General case' 2 C--N 1.448 4.88 0 N-CA-C 120.464 3.505 . . . . 0.0 120.464 -164.613 . . . . . . . . 3 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.466 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.437 45.0 m -72.31 -36.81 68.99 Favored 'General case' 1 N--CA 1.591 6.608 2 O-C-N 131.845 5.716 . . . . 0.0 110.514 -166.181 . . . . . . . . 5 3 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.392 3.9 ttt180 -65.37 -36.28 83.5 Favored 'General case' 0 C--N 1.428 3.99 0 N-CA-C 118.192 2.664 . . . . 0.0 118.192 174.475 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -70.23 -34.21 72.58 Favored 'General case' 0 C--O 1.169 -3.146 0 CA-C-O 115.176 -2.345 . . . . 0.0 112.3 165.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HG2' ' HA ' ' A' ' 9' ' ' CYS 0.3 0.1 OUTLIER -60.98 -30.19 70.12 Favored 'General case' 0 CA--C 1.44 -3.267 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 162.326 . . . . . . . . 4 4 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.334 54.9 m -50.68 -45.85 58.4 Favored 'General case' 2 N--CA 1.552 4.635 0 CA-C-O 126.776 3.179 . . . . 0.0 109.833 178.239 . . . . . . . . 3 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.409 ' H ' ' HD2' ' A' ' 14' ' ' ARG . 2.3 mpt_? -52.12 -31.94 33.15 Favored 'General case' 1 N--CA 1.542 4.128 1 CA-C-O 109.082 -5.247 . . . . 0.0 109.909 169.412 . . . . . . . . 4 3 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.677 ' HB3' HD11 ' A' ' 18' ' ' LEU 0.334 2.9 m170 -55.92 -29.86 60.74 Favored 'General case' 0 C--O 1.153 -3.981 1 CA-C-N 129.759 5.709 . . . . 0.0 116.04 168.687 . . . . . . . . 4 3 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -51.01 -52.06 61.74 Favored Pre-proline 1 CA--C 1.635 4.213 1 CA-C-O 108.219 -5.658 . . . . 0.0 109.527 -167.333 . . . . . . . . 3 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 1.477 ' CG ' ' CD ' ' A' ' 17' ' ' PRO 0.377 41.7 Cg_exo -42.63 -36.1 4.55 Favored 'Trans proline' 0 CA--C 1.579 2.733 1 CA-C-N 128.599 4.107 . . . . 0.0 121.744 165.655 . . . . . . . . 4 3 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' A' ' 15' ' ' HIS 0.449 2.0 pp -74.47 -50.33 18.72 Favored 'General case' 1 N--CA 1.56 5.057 0 O-C-N 119.492 -2.005 . . . . 0.0 109.67 -176.392 . . . . . . . . 4 3 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 72.17 57.35 0.15 Allowed 'General case' 0 C--O 1.205 -1.276 1 N-CA-C 126.819 5.859 . . . . 0.0 126.819 172.755 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 2.3 p90 -127.71 -34.32 2.2 Favored 'General case' 0 N--CA 1.53 3.528 0 CA-C-N 112.574 -2.103 . . . . 0.0 112.438 171.347 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.41 65.0 0.83 Allowed 'General case' 0 C--N 1.384 2.099 0 CA-C-O 124.99 2.329 . . . . 0.0 107.162 174.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.516 ' H ' ' HD3' ' A' ' 22' ' ' ARG 0.251 0.0 OUTLIER -68.14 -51.61 44.11 Favored 'General case' 0 C--O 1.289 3.136 1 C-N-CA 132.336 4.255 . . . . 0.0 113.183 165.17 . . . . . . . . 5 4 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.3 p -100.6 5.52 43.94 Favored 'General case' 0 CA--C 1.619 3.602 0 CA-C-N 109.415 -3.538 . . . . 0.0 114.899 179.192 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 30.95 96.92 0.01 OUTLIER Glycine 1 N--CA 1.663 13.773 0 O-C-N 127.432 2.958 . . . . 0.0 120.383 -169.829 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.38 4.0 Cg_exo -29.68 -19.64 0.01 OUTLIER 'Trans proline' 1 N--CA 1.611 8.419 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 172.483 . . . . . . . . 3 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.17 -44.86 7.44 Favored 'General case' 0 CA--C 1.454 -2.73 0 N-CA-C 119.549 3.166 . . . . 0.0 119.549 -179.212 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.1 p -120.04 104.3 44.11 Favored Pre-proline 0 C--N 1.251 -3.679 2 O-C-N 110.118 -7.864 . . . . 0.0 103.03 174.016 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -85.25 99.96 0.69 Allowed 'Trans proline' 2 CA--C 1.636 5.613 3 C-N-CA 128.571 6.18 . . . . 0.0 108.608 -164.853 . . . . . . . . 3 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.534 . . 77.11 59.21 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 124.337 3.244 . . . . 0.0 111.425 -175.702 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.5 t -112.11 -27.78 8.24 Favored 'General case' 0 CA--C 1.606 3.122 0 CA-C-N 111.081 -2.781 . . . . 0.0 114.061 167.243 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.5 ttp -52.34 -16.79 0.93 Allowed 'General case' 1 C--N 1.432 4.16 0 N-CA-C 119.497 3.147 . . . . 0.0 119.497 173.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -93.03 -32.8 14.36 Favored 'General case' 1 CA--C 1.689 6.323 0 O-C-N 117.765 -3.084 . . . . 0.0 109.627 -170.218 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.591 ' O ' ' HD2' ' A' ' 37' ' ' PRO . . . -56.77 -34.75 67.92 Favored 'General case' 0 N--CA 1.529 3.492 1 CA-C-O 110.463 -4.589 . . . . 0.0 114.011 160.829 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.5 m -50.49 -36.47 33.94 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 124.717 3.417 . . . . 0.0 111.468 -171.782 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.331 5.2 mp -65.78 -53.45 40.26 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 174.398 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.255 33.6 mt-30 -58.14 -53.95 60.68 Favored Pre-proline 1 N--CA 1.545 4.286 1 O-C-N 111.602 -6.936 . . . . 0.0 115.39 178.274 . . . . . . . . 4 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.591 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.343 7.7 Cg_exo -57.64 -36.92 98.37 Favored 'Trans proline' 1 N--CA 1.563 5.559 0 C-N-CA 124.791 3.661 . . . . 0.0 115.226 172.303 . . . . . . . . 4 3 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.383 0.0 OUTLIER . . . . . 1 C--N 1.506 7.374 0 O-C-N 127.355 2.909 . . . . 0.0 116.686 -178.814 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.405 6.2 t . . . . . 1 N--CA 1.547 4.399 0 CA-C-O 115.239 -2.315 . . . . 0.0 113.262 . . . . . . . . . 3 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.527 ' OE1' ' HG2' ' A' ' 37' ' ' PRO 0.337 1.1 pt-20 -29.14 -66.53 0.09 Allowed 'General case' 0 C--N 1.276 -2.627 1 O-C-N 132.15 5.906 . . . . 0.0 121.733 -172.393 . . . . . . . . 4 3 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.656 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 15.3 tp10 -69.37 -61.37 3.3 Favored Pre-proline 1 CA--C 1.69 6.358 2 N-CA-C 125.078 5.214 . . . . 0.0 125.078 -168.024 . . . . . . . . 4 3 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' A' ' 6' ' ' GLU . 95.3 Cg_endo -72.11 -40.36 2.53 Favored 'Trans proline' 0 CA--C 1.486 -1.894 0 C-N-CA 124.536 3.491 . . . . 0.0 118.543 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.6 m -73.67 -46.21 47.88 Favored 'General case' 1 C--N 1.443 4.642 0 N-CA-C 117.055 2.242 . . . . 0.0 117.055 175.59 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.428 29.7 m -72.56 -40.89 66.3 Favored 'General case' 0 CA--C 1.623 3.776 0 CA-C-N 109.331 -3.577 . . . . 0.0 114.148 -170.518 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.22 -40.79 74.62 Favored 'General case' 1 CA--C 1.636 4.256 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 165.631 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -64.52 -39.87 94.57 Favored 'General case' 1 N--CA 1.55 4.553 0 CA-C-N 124.361 3.255 . . . . 0.0 105.99 168.063 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.526 0.3 OUTLIER -49.24 -30.24 6.86 Favored 'General case' 1 C--N 1.473 5.951 0 N-CA-C 121.602 3.927 . . . . 0.0 121.602 164.762 . . . . . . . . 4 3 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.432 28.6 m -56.24 -35.17 67.08 Favored 'General case' 0 C--N 1.414 3.382 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 179.075 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.21 -32.63 56.27 Favored 'General case' 0 C--N 1.391 2.392 0 CA-C-N 111.738 -2.483 . . . . 0.0 116.615 165.285 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.418 0.5 OUTLIER -49.48 -26.84 3.69 Favored 'General case' 1 N--CA 1.541 4.103 0 N-CA-C 118.824 2.898 . . . . 0.0 118.824 159.089 . . . . . . . . 4 3 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -40.73 86.62 Favored Pre-proline 1 N--CA 1.541 4.122 2 CA-C-O 108.937 -5.316 . . . . 0.0 113.435 -173.437 . . . . . . . . 4 3 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.436 6.1 Cg_exo -53.13 -52.34 8.99 Favored 'Trans proline' 0 CA--C 1.587 3.171 2 C-N-CA 129.896 7.064 . . . . 0.0 118.713 172.469 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.353 4.1 pp -67.64 -30.36 69.9 Favored 'General case' 1 N--CA 1.586 6.368 1 CA-C-N 104.209 -5.905 . . . . 0.0 118.632 -173.936 . . . . . . . . 4 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.278 7.1 tt0 62.26 58.35 1.79 Allowed 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 123.428 1.585 . . . . 0.0 114.445 172.827 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.498 0.8 OUTLIER -145.36 -29.79 0.43 Allowed 'General case' 1 N--CA 1.547 4.376 0 N-CA-C 117.699 2.481 . . . . 0.0 117.699 170.878 . . . . . . . . 4 3 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.381 6.6 t -126.64 80.85 1.96 Allowed 'General case' 0 N--CA 1.496 1.874 1 N-CA-C 99.297 -4.334 . . . . 0.0 99.297 161.137 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.688 ' H ' ' HD3' ' A' ' 22' ' ' ARG 0.362 0.0 OUTLIER -88.12 -51.73 5.63 Favored 'General case' 1 N--CA 1.623 8.222 0 CA-C-N 111.832 -2.44 . . . . 0.0 116.36 164.072 . . . . . . . . 5 4 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 p -74.94 -59.93 2.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 118.064 -2.897 . . . . 0.0 112.292 160.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.08 117.48 4.3 Favored Glycine 1 CA--C 1.661 9.201 0 CA-C-O 113.684 -3.842 . . . . 0.0 112.996 -168.504 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -77.48 4.95 5.51 Favored 'Trans proline' 0 C--N 1.382 2.328 0 CA-C-N 122.35 3.075 . . . . 0.0 116.172 170.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.49 2.5 mp -84.43 -74.78 0.37 Allowed 'General case' 1 N--CA 1.609 7.478 0 CA-C-O 114.441 -2.695 . . . . 0.0 108.058 166.559 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.715 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 28.4 p -89.96 109.34 32.11 Favored Pre-proline 0 CA--C 1.567 1.631 0 C-N-CA 130.347 3.459 . . . . 0.0 107.38 169.185 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -67.21 114.18 3.13 Favored 'Trans proline' 1 CA--C 1.663 6.945 0 CA-C-N 121.583 1.601 . . . . 0.0 113.682 166.41 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.24 72.2 0.54 Allowed 'General case' 1 N--CA 1.574 5.761 2 O-C-N 135.206 7.816 . . . . 0.0 121.44 178.483 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.715 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.343 44.3 t -115.11 -7.62 12.46 Favored 'General case' 0 CA--C 1.628 3.978 0 C-N-CA 125.219 1.407 . . . . 0.0 113.048 -166.903 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.365 33.5 ttp -87.1 -30.85 20.8 Favored 'General case' 1 CA--C 1.634 4.196 0 CA-C-O 111.773 -3.965 . . . . 0.0 116.852 -161.21 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -70.16 -33.06 71.31 Favored 'General case' 0 CA--C 1.611 3.324 0 O-C-N 126.639 2.462 . . . . 0.0 114.619 -169.58 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.442 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.305 . . -67.8 -40.18 83.9 Favored 'General case' 1 N--CA 1.594 6.737 0 C-N-CA 131.143 3.777 . . . . 0.0 119.732 173.274 . . . . . . . . 4 3 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.257 26.9 m -39.56 -59.88 1.04 Allowed 'General case' 1 CA--C 1.71 7.097 0 C-N-CA 128.006 2.522 . . . . 0.0 107.452 160.472 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mp -47.63 -40.7 20.27 Favored 'General case' 2 CA--C 1.702 6.798 1 CA-C-O 109.72 -4.943 . . . . 0.0 110.039 178.549 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.358 4.6 mt-30 -65.83 -65.64 1.71 Allowed Pre-proline 2 N--CA 1.615 7.8 1 CA-C-O 111.668 -4.015 . . . . 0.0 106.467 170.394 . . . . . . . . 4 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HG2' ' OE1' ' A' ' 5' ' ' GLU 0.515 2.1 Cg_endo -58.0 -17.56 31.57 Favored 'Trans proline' 1 CA--C 1.604 4.015 1 CA-C-N 130.2 4.678 . . . . 0.0 116.655 -175.584 . . . . . . . . 5 3 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.351 1.7 pp20? . . . . . 2 CA--C 1.651 4.848 1 O-C-N 113.596 -5.69 . . . . 0.0 112.199 170.153 . . . . . . . . 3 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 116.998 -1.477 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.286 3.7 pt-20 -51.24 -62.86 1.36 Allowed 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.669 1.577 . . . . 0.0 114.143 -170.236 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.27 8.1 tp10 -68.47 -68.19 0.66 Allowed Pre-proline 0 CA--C 1.576 1.971 0 CA-C-O 113.884 -2.96 . . . . 0.0 113.579 -177.535 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.266 10.6 Cg_endo -71.23 -57.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.375 1.953 0 CA-C-N 127.488 3.71 . . . . 0.0 115.344 -177.179 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.276 15.8 m -73.62 -38.44 65.07 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 120.294 3.442 . . . . 0.0 120.294 -174.554 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -72.06 -30.28 64.98 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -62.92 -39.46 94.61 Favored 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 165.368 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -63.69 -29.22 70.47 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 164.12 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.46 1.3 ptp180 -66.89 -28.73 68.56 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 120.766 1.621 . . . . 0.0 114.786 165.194 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.303 7.1 m -60.18 -28.2 67.75 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 159.844 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.328 1.4 mpt_? -65.19 -24.64 67.43 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 163.429 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -67.31 -27.57 67.27 Favored 'General case' 0 CA--C 1.58 2.119 0 CA-C-N 119.048 0.84 . . . . 0.0 111.207 162.32 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.259 6.2 tt -65.48 -36.83 16.04 Favored Pre-proline 0 N--CA 1.499 1.99 0 CA-C-O 115.663 -2.113 . . . . 0.0 112.708 -175.785 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -48.17 -32.27 18.63 Favored 'Trans proline' 0 CA--C 1.578 2.704 0 CA-C-N 125.302 2.929 . . . . 0.0 116.531 160.457 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -87.89 -46.04 9.75 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 167.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.343 13.2 tt0 66.77 19.09 10.74 Favored 'General case' 0 CA--C 1.578 2.053 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 174.665 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.307 29.6 p90 -83.25 -36.02 24.89 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 119.918 -1.739 . . . . 0.0 113.727 165.388 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.2 t -86.34 45.55 1.25 Allowed 'General case' 0 CA--C 1.58 2.104 0 O-C-N 120.701 -1.25 . . . . 0.0 113.809 166.005 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -46.14 79.86 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 169.02 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -67.24 -54.44 20.92 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 110.784 -2.916 . . . . 0.0 113.616 166.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.86 78.16 0.12 Allowed Glycine 0 CA--C 1.559 2.782 0 CA-C-O 116.029 -2.539 . . . . 0.0 119.325 169.475 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -68.26 69.41 0.97 Allowed 'Trans proline' 0 CA--C 1.575 2.568 0 CA-C-N 123.35 3.575 . . . . 0.0 118.786 -175.348 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -126.44 -52.41 1.49 Allowed 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 124.376 1.07 . . . . 0.0 112.409 -176.426 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 7.0 p -137.04 144.14 45.06 Favored Pre-proline 0 CA--C 1.58 2.133 0 CA-C-N 119.572 1.078 . . . . 0.0 113.333 -176.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -76.11 98.59 1.21 Allowed 'Trans proline' 0 CA--C 1.569 2.259 0 C-N-CA 122.631 2.221 . . . . 0.0 115.099 -174.446 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.31 47.53 18.96 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -179.718 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.528 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 48.7 t -99.62 -10.45 21.99 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 -169.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -74.12 -37.77 64.01 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 170.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -58.56 -36.86 74.59 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 169.065 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.1 -41.75 75.72 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 167.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.2 m -49.43 -36.71 23.17 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 165.758 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.418 0.9 OUTLIER -72.56 -26.02 61.57 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 168.56 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.8 -45.48 79.91 Favored Pre-proline 0 CA--C 1.59 2.502 0 CA-C-N 121.264 1.847 . . . . 0.0 110.469 161.544 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -72.95 -49.03 0.25 Allowed 'Trans proline' 0 CA--C 1.578 2.715 0 CA-C-N 123.459 2.271 . . . . 0.0 117.191 160.875 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 N--CA 1.49 1.531 0 CA-C-N 122.956 2.616 . . . . 0.0 112.825 -175.238 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.379 6.0 p-90 . . . . . 0 N--CA 1.494 1.755 0 N-CA-C 119.143 3.016 . . . . 0.0 119.143 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mp -54.34 -44.5 72.18 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 167.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.279 6.6 tp -54.85 -36.75 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 163.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -61.17 -67.53 0.4 Allowed 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 116.998 -1.477 . . . . 0.0 111.625 167.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.286 3.7 pt-20 -51.24 -62.86 1.36 Allowed 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.669 1.577 . . . . 0.0 114.143 -170.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.27 8.0 tp10 -68.47 -68.19 0.66 Allowed Pre-proline 0 CA--C 1.576 1.971 0 CA-C-O 113.884 -2.96 . . . . 0.0 113.579 -177.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.266 10.6 Cg_endo -71.23 -57.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.375 1.953 0 CA-C-N 127.488 3.71 . . . . 0.0 115.344 -177.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.276 15.8 m -73.62 -38.44 65.07 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 120.294 3.442 . . . . 0.0 120.294 -174.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -72.06 -30.28 64.98 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -62.92 -39.46 94.61 Favored 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 165.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -63.69 -29.22 70.47 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 164.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.46 1.3 ptp180 -66.89 -28.73 68.56 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 120.766 1.621 . . . . 0.0 114.786 165.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.303 7.1 m -60.18 -28.2 67.75 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 159.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.328 1.4 mpt_? -65.19 -24.64 67.43 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 163.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -67.31 -27.57 67.27 Favored 'General case' 0 CA--C 1.58 2.119 0 CA-C-N 119.048 0.84 . . . . 0.0 111.207 162.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.259 6.2 tt -65.48 -36.83 16.04 Favored Pre-proline 0 N--CA 1.499 1.99 0 CA-C-O 115.663 -2.113 . . . . 0.0 112.708 -175.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -48.17 -32.27 18.63 Favored 'Trans proline' 0 CA--C 1.578 2.704 0 CA-C-N 125.302 2.929 . . . . 0.0 116.531 160.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -87.89 -46.04 9.75 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 167.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.343 13.2 tt0 66.77 19.09 10.74 Favored 'General case' 0 CA--C 1.578 2.053 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 174.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.307 29.6 p90 -83.25 -36.02 24.89 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 119.918 -1.739 . . . . 0.0 113.727 165.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.2 t -86.34 45.55 1.25 Allowed 'General case' 0 CA--C 1.58 2.104 0 O-C-N 120.701 -1.25 . . . . 0.0 113.809 166.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -46.14 79.86 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 169.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -67.24 -54.44 20.92 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 110.784 -2.916 . . . . 0.0 113.616 166.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.86 78.16 0.12 Allowed Glycine 0 CA--C 1.559 2.782 0 CA-C-O 116.029 -2.539 . . . . 0.0 119.325 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -68.26 69.41 0.97 Allowed 'Trans proline' 0 CA--C 1.575 2.568 0 CA-C-N 123.35 3.575 . . . . 0.0 118.786 -175.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -126.44 -52.41 1.49 Allowed 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 124.376 1.07 . . . . 0.0 112.409 -176.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 7.0 p -137.04 144.14 45.06 Favored Pre-proline 0 CA--C 1.58 2.133 0 CA-C-N 119.572 1.078 . . . . 0.0 113.333 -176.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -76.11 98.59 1.21 Allowed 'Trans proline' 0 CA--C 1.569 2.259 0 C-N-CA 122.631 2.221 . . . . 0.0 115.099 -174.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.31 47.53 18.96 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.528 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 48.7 t -99.62 -10.45 21.99 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 -169.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -74.12 -37.77 64.01 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 170.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -58.56 -36.86 74.59 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 169.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.1 -41.75 75.72 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 167.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.2 m -49.43 -36.71 23.17 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 165.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.418 0.9 OUTLIER -72.56 -26.02 61.57 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 168.56 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.8 -45.48 79.91 Favored Pre-proline 0 CA--C 1.59 2.502 0 CA-C-N 121.264 1.847 . . . . 0.0 110.469 161.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -72.95 -49.03 0.25 Allowed 'Trans proline' 0 CA--C 1.578 2.715 0 CA-C-N 123.459 2.271 . . . . 0.0 117.191 160.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--O 1.27 2.156 0 CA-C-N 122.956 2.616 . . . . 0.0 112.825 -175.238 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.377 10.8 p-90 . . . . . 0 N--CA 1.506 2.374 0 N-CA-C 115.856 1.799 . . . . 0.0 115.856 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.32 10.0 mp -49.57 -42.82 45.33 Favored 'General case' 1 N--CA 1.629 8.494 0 CA-C-N 113.116 -1.856 . . . . 0.0 111.143 167.876 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.421 ' O ' ' HG2' ' A' ' 7' ' ' PRO 0.403 5.6 tp -58.7 -39.79 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.342 0 C-N-CA 128.253 2.621 . . . . 0.0 108.96 168.425 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 9' ' ' CYS 0.278 4.1 t -69.5 -56.95 5.92 Favored 'General case' 2 C--N 1.46 5.37 0 O-C-N 127.07 2.731 . . . . 0.0 106.313 -179.257 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -66.21 -43.18 87.47 Favored 'General case' 0 CA--C 1.609 3.238 0 CA-C-O 114.074 -2.87 . . . . 0.0 114.67 -166.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 10' ' ' ARG 0.307 7.5 tp10 -75.97 -65.0 0.48 Allowed Pre-proline 0 C--N 1.366 1.325 0 CA-C-O 114.843 -2.503 . . . . 0.0 115.885 177.254 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HG2' ' O ' ' A' ' 3' ' ' ILE . 3.0 Cg_endo -72.43 -54.3 0.13 Allowed 'Trans proline' 1 N--CA 1.578 6.465 0 CA-C-N 126.634 3.405 . . . . 0.0 109.751 -177.244 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.276 93.9 m -77.76 -45.51 24.41 Favored 'General case' 1 N--CA 1.552 4.645 0 CA-C-O 125.168 2.414 . . . . 0.0 109.563 -161.403 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 4' ' ' CYS 0.319 0.5 OUTLIER -68.4 -33.39 74.15 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 118.044 -2.91 . . . . 0.0 113.513 178.849 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 6' ' ' GLU . 50.1 ttt-85 -57.88 -40.87 81.29 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 162.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.267 22.6 m-80 -60.88 -39.41 89.12 Favored 'General case' 1 N--CA 1.589 6.511 0 O-C-N 120.379 -1.451 . . . . 0.0 113.727 160.148 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.722 0.7 OUTLIER -49.84 -44.79 49.69 Favored 'General case' 1 CA--C 1.705 6.941 1 O-C-N 115.892 -4.255 . . . . 0.0 108.83 168.677 . . . . . . . . 6 4 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 1.475 ' CA ' ' C ' ' A' ' 13' ' ' THR . 75.1 m -60.51 -34.65 74.39 Favored 'General case' 1 CA--C 1.8 10.573 2 N-CA-C 98.717 -4.549 . . . . 0.0 98.717 -176.787 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.43 1.9 mpt_? -56.03 -35.31 66.72 Favored 'General case' 0 CA--C 1.612 3.35 0 O-C-N 118.227 -2.796 . . . . 0.0 112.209 166.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.375 9.9 m170 -51.8 -36.29 47.23 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 114.029 -2.891 . . . . 0.0 115.219 157.669 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.377 8.1 tt -67.83 -36.54 9.83 Favored Pre-proline 1 N--CA 1.616 7.829 0 C-N-CA 129.041 2.936 . . . . 0.0 103.693 -169.409 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' A' ' 13' ' ' THR . 94.9 Cg_exo -52.96 -41.18 73.08 Favored 'Trans proline' 0 CA--C 1.484 -1.983 2 O-C-N 109.822 -5.936 . . . . 0.0 113.919 167.135 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 pp -81.48 -39.48 24.72 Favored 'General case' 1 N--CA 1.589 6.503 1 O-C-N 109.607 -8.183 . . . . 0.0 120.988 170.298 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.456 12.9 tt0 75.03 6.73 4.27 Favored 'General case' 2 CA--C 1.692 6.405 0 C-N-CA 130.935 3.694 . . . . 0.0 113.434 165.243 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.496 1.3 p90 -73.57 -37.58 65.46 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 171.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -95.51 56.55 1.83 Allowed 'General case' 1 CA--C 1.699 6.696 0 CA-C-O 125.616 2.626 . . . . 0.0 107.962 172.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -29.75 43.56 Favored 'General case' 0 CA--C 1.619 3.603 1 N-CA-C 122.731 4.345 . . . . 0.0 122.731 170.527 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 p -88.72 -44.53 10.5 Favored 'General case' 0 CA--C 1.618 3.581 1 CA-C-N 101.423 -7.171 . . . . 0.0 109.524 170.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.59 80.66 0.05 OUTLIER Glycine 1 CA--C 1.638 7.738 1 CA-C-O 113.098 -4.168 . . . . 0.0 118.159 172.203 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -74.64 79.03 2.64 Favored 'Trans proline' 0 C--N 1.397 3.085 2 CA-C-O 131.23 4.596 . . . . 0.0 114.592 -166.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.25 4.1 mp -139.08 -48.62 0.49 Allowed 'General case' 2 N--CA 1.604 7.247 1 O-C-N 112.415 -6.428 . . . . 0.0 105.446 -164.18 . . . . . . . . 4 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.479 20.4 p -135.8 147.94 63.22 Favored Pre-proline 1 N--CA 1.587 6.419 0 CA-C-O 115.637 -2.125 . . . . 0.0 109.073 -175.569 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.372 79.1 Cg_endo -69.2 104.48 1.24 Allowed 'Trans proline' 2 N--CA 1.66 11.316 0 C-N-CA 123.323 2.682 . . . . 0.0 113.92 166.973 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.311 . . 54.47 50.82 15.28 Favored 'General case' 2 CA--C 1.665 5.403 0 CA-C-O 116.51 -1.709 . . . . 0.0 112.491 167.484 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.302 41.1 t -108.25 -10.56 15.36 Favored 'General case' 0 C--O 1.279 2.611 0 O-C-N 116.777 -3.702 . . . . 0.0 116.006 -168.705 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.451 1.2 tmt? -65.94 -49.58 67.42 Favored 'General case' 0 C--N 1.398 2.688 0 CA-C-O 115.279 -2.296 . . . . 0.0 114.685 170.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -56.15 -28.16 56.97 Favored 'General case' 1 N--CA 1.624 8.258 0 N-CA-C 120.976 3.695 . . . . 0.0 120.976 172.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 36' ' ' GLN . . . -59.79 -46.75 88.25 Favored 'General case' 1 N--CA 1.578 5.955 0 CA-C-O 114.853 -2.499 . . . . 0.0 116.847 165.802 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 m -48.15 -42.69 30.16 Favored 'General case' 0 CA--C 1.593 2.608 1 O-C-N 131.292 5.37 . . . . 0.0 113.31 164.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.575 0.9 OUTLIER -60.21 -32.08 70.77 Favored 'General case' 1 N--CA 1.554 4.77 0 C-N-CA 129.184 2.994 . . . . 0.0 113.866 165.714 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 61.5 mt-30 -59.5 -44.73 98.33 Favored Pre-proline 1 N--CA 1.557 4.882 0 O-C-N 117.295 -3.378 . . . . 0.0 105.396 170.429 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -73.28 -44.27 0.58 Allowed 'Trans proline' 0 N--CA 1.517 2.877 1 CA-C-N 132.298 5.428 . . . . 0.0 118.6 158.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.385 35.9 tt0 . . . . . 1 CA--C 1.631 4.074 0 CA-C-N 124.65 3.386 . . . . 0.0 115.339 -176.535 . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.271 18.7 p-90 . . . . . 0 N--CA 1.525 3.293 0 CA-C-O 125.293 2.473 . . . . 0.0 111.307 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.16 -27.23 69.23 Favored 'General case' 1 C--N 1.475 6.063 1 O-C-N 115.369 -4.582 . . . . 0.0 112.891 172.768 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.273 6.2 tp -71.79 -21.66 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 115.972 1.842 . . . . 0.0 115.972 162.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 3.7 t -69.03 -67.94 0.44 Allowed 'General case' 0 CA--C 1.588 2.413 0 O-C-N 126.015 2.072 . . . . 0.0 105.806 173.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.274 2.8 pt-20 -55.06 -53.0 61.44 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 118.518 -2.614 . . . . 0.0 115.935 -170.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 10' ' ' ARG 0.378 5.5 tp10 -73.48 -66.28 0.55 Allowed Pre-proline 0 C--N 1.427 3.938 0 O-C-N 116.305 -3.997 . . . . 0.0 117.625 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -65.93 -58.97 0.15 Allowed 'Trans proline' 0 C--O 1.246 0.923 0 CA-C-N 127.643 3.765 . . . . 0.0 114.868 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.396 97.6 m -68.41 -49.09 62.56 Favored 'General case' 0 C--N 1.415 3.428 2 CA-C-O 130.978 5.18 . . . . 0.0 119.985 -169.721 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 4' ' ' CYS 0.384 0.1 OUTLIER -62.86 -38.26 90.1 Favored 'General case' 0 C--O 1.284 2.902 0 CA-C-N 109.843 -3.344 . . . . 0.0 115.984 174.461 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 6' ' ' GLU . 45.8 ttt-85 -60.82 -42.34 97.5 Favored 'General case' 0 N--CA 1.53 3.555 1 CA-C-O 110.195 -4.717 . . . . 0.0 103.918 166.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -68.65 -30.09 68.72 Favored 'General case' 0 CA--C 1.617 3.54 1 CA-C-N 126.233 4.106 . . . . 0.0 117.304 166.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.386 3.0 ptp180 -57.87 -28.58 64.3 Favored 'General case' 0 C--N 1.371 1.54 1 O-C-N 115.844 -4.285 . . . . 0.0 114.39 165.776 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.472 ' O ' ' HD2' ' A' ' 17' ' ' PRO . 59.2 m -62.45 -34.11 76.15 Favored 'General case' 2 CA--C 1.705 6.925 0 CA-C-O 115.716 -2.087 . . . . 0.0 106.375 171.504 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.359 1.4 mpt_? -55.44 -32.92 63.15 Favored 'General case' 1 N--CA 1.544 4.239 0 CA-C-N 120.964 1.711 . . . . 0.0 112.08 164.805 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.33 23.9 m170 -58.64 -30.53 67.38 Favored 'General case' 0 CA--C 1.627 3.933 1 CA-C-O 109.753 -4.927 . . . . 0.0 116.565 160.999 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.291 8.8 tt -70.57 -31.11 2.03 Favored Pre-proline 0 N--CA 1.517 2.915 1 O-C-N 129.441 4.213 . . . . 0.0 106.196 -173.062 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.472 ' HD2' ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -60.81 -31.9 92.25 Favored 'Trans proline' 1 N--CA 1.558 5.318 0 O-C-N 113.893 -3.793 . . . . 0.0 111.341 168.064 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 15' ' ' HIS . 3.6 pp -81.54 -48.65 11.54 Favored 'General case' 0 CA--C 1.623 3.777 1 O-C-N 111.391 -7.068 . . . . 0.0 115.017 171.128 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.754 14.5 tt0 76.77 2.96 3.41 Favored 'General case' 0 C--O 1.271 2.198 1 N-CA-C 123.836 4.754 . . . . 0.0 123.836 175.406 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.268 2.2 p90 -82.19 -28.88 31.77 Favored 'General case' 0 C--N 1.41 3.238 1 O-C-N 115.864 -4.272 . . . . 0.0 114.346 177.445 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.305 46.2 t -94.94 58.23 2.19 Favored 'General case' 1 CA--C 1.665 5.366 1 CA-C-O 130.504 4.954 . . . . 0.0 111.133 165.86 . . . . . . . . 4 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -18.76 28.74 Favored 'General case' 1 C--O 1.352 6.462 3 N-CA-C 126.027 5.566 . . . . 0.0 126.027 173.361 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -90.43 -51.11 5.58 Favored 'General case' 0 CA--C 1.606 3.109 1 CA-C-N 105.004 -5.544 . . . . 0.0 103.855 171.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.24 72.38 0.57 Allowed Glycine 2 C--N 1.445 6.636 1 CA-C-O 108.809 -6.55 . . . . 0.0 118.234 175.68 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -69.77 81.16 0.84 Allowed 'Trans proline' 1 N--CA 1.633 9.681 1 CA-C-N 128.447 6.124 . . . . 0.0 108.444 -164.632 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.457 6.2 mp -146.53 -40.15 0.21 Allowed 'General case' 0 C--N 1.256 -3.46 0 CA-C-O 124.355 2.026 . . . . 0.0 111.057 -168.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . 0.312 16.3 p -140.64 145.88 42.24 Favored Pre-proline 0 N--CA 1.507 2.379 0 O-C-N 116.786 -3.696 . . . . 0.0 110.8 174.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -67.81 108.57 1.7 Allowed 'Trans proline' 1 C--N 1.421 4.362 0 CA-C-N 124.227 2.545 . . . . 0.0 111.885 175.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 53.16 49.65 19.49 Favored 'General case' 1 CA--C 1.641 4.466 1 O-C-N 115.305 -4.622 . . . . 0.0 113.546 166.304 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 4' ' ' CYS 0.392 14.1 t -115.26 3.99 14.38 Favored 'General case' 1 N--CA 1.593 6.707 1 O-C-N 113.988 -5.445 . . . . 0.0 113.441 -169.101 . . . . . . . . 5 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.364 1.4 tmt? -73.3 -44.39 59.21 Favored 'General case' 0 C--N 1.398 2.704 1 O-C-N 131.769 5.668 . . . . 0.0 111.997 170.733 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -60.43 -25.27 65.83 Favored 'General case' 1 C--N 1.475 6.039 0 N-CA-C 121.269 3.803 . . . . 0.0 121.269 174.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 36' ' ' GLN . . . -69.09 -31.93 71.01 Favored 'General case' 0 C--N 1.398 2.691 1 N-CA-C 124.216 4.895 . . . . 0.0 124.216 171.523 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.7 m -60.3 -36.93 79.03 Favored 'General case' 1 CA--C 1.726 7.72 1 CA-C-O 109.676 -4.964 . . . . 0.0 104.577 166.192 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.396 1.2 mp -69.39 -28.94 66.61 Favored 'General case' 0 C--N 1.367 1.354 0 CA-C-N 125.419 3.736 . . . . 0.0 109.966 170.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 51.1 mt-30 -52.16 -53.76 48.71 Favored Pre-proline 1 CA--C 1.639 4.399 0 CA-C-N 123.591 2.905 . . . . 0.0 108.794 164.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.66 -53.02 1.1 Allowed 'Trans proline' 1 N--CA 1.56 5.424 1 CA-C-N 129.621 4.472 . . . . 0.0 115.516 161.779 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.279 50.7 tt0 . . . . . 1 C--O 1.318 4.688 0 CA-C-O 112.083 -3.818 . . . . 0.0 120.726 -175.703 . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 18.3 p-90 . . . . . 1 CA--C 1.676 5.815 0 CA-C-O 115.425 -2.226 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.12 -33.52 75.96 Favored 'General case' 0 CA--C 1.594 2.671 0 O-C-N 125.041 1.463 . . . . 0.0 111.503 168.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 tp -71.4 -16.74 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.344 0 CA-C-O 125.263 2.459 . . . . 0.0 116.066 166.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.444 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.429 1.8 t -63.71 -75.84 0.08 Allowed 'General case' 0 CA--C 1.457 -2.632 0 O-C-N 118.946 -2.346 . . . . 0.0 113.375 165.157 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.466 2.1 pt-20 -47.53 -61.0 2.13 Favored 'General case' 0 C--N 1.258 -3.392 0 CA-C-O 116.537 -1.697 . . . . 0.0 114.918 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 10' ' ' ARG 0.346 2.3 tp10 -75.94 -64.51 0.53 Allowed Pre-proline 2 N--CA 1.56 5.074 1 CA-C-O 110.83 -4.414 . . . . 0.0 116.937 -175.593 . . . . . . . . 5 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.33 6.3 Cg_endo -56.17 -67.28 0.08 OUTLIER 'Trans proline' 0 C--N 1.291 -2.48 1 CA-C-N 129.752 4.518 . . . . 0.0 118.941 169.661 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.357 90.5 m -70.6 -45.62 64.96 Favored 'General case' 0 N--CA 1.505 2.277 1 N-CA-C 123.874 4.768 . . . . 0.0 123.874 -171.985 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -28.77 65.79 Favored 'General case' 1 CA--C 1.647 4.71 0 CA-C-N 110.908 -2.86 . . . . 0.0 114.894 173.548 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' GLU . 29.1 ttt-85 -63.75 -44.3 93.89 Favored 'General case' 1 C--N 1.436 4.331 0 CA-C-O 114.52 -2.657 . . . . 0.0 107.598 162.083 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -62.63 -37.03 84.72 Favored 'General case' 0 N--CA 1.502 2.141 0 CA-C-N 125.846 3.93 . . . . 0.0 116.677 165.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.424 HH12 HD13 ' A' ' 26' ' ' LEU 0.427 3.8 ptp180 -57.9 -32.43 67.73 Favored 'General case' 1 N--CA 1.576 5.867 0 C-N-CA 117.106 -1.838 . . . . 0.0 110.217 169.731 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.477 8.6 m -49.37 -33.77 14.42 Favored 'General case' 2 N--CA 1.634 8.734 1 N-CA-C 123.679 4.696 . . . . 0.0 123.679 155.332 . . . . . . . . 4 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -66.42 -20.61 66.11 Favored 'General case' 1 N--CA 1.556 4.856 0 O-C-N 126.413 2.321 . . . . 0.0 114.288 165.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.359 55.8 m170 -72.35 -35.57 68.58 Favored 'General case' 1 CA--C 1.659 5.166 1 CA-C-O 111.178 -4.249 . . . . 0.0 106.619 169.493 . . . . . . . . 5 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.366 5.5 tt -54.23 -37.15 50.17 Favored Pre-proline 0 C--N 1.401 2.815 0 N-CA-C 118.871 2.915 . . . . 0.0 118.871 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.301 92.7 Cg_exo -51.56 -31.69 40.91 Favored 'Trans proline' 1 CA--C 1.617 4.651 0 O-C-N 114.917 -3.254 . . . . 0.0 117.2 159.077 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 15' ' ' HIS 0.496 3.7 pp -82.98 -57.09 3.44 Favored 'General case' 0 CA--C 1.607 3.168 0 CA-C-N 118.153 0.433 . . . . 0.0 110.707 171.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.424 19.1 tt0 68.96 23.05 6.79 Favored 'General case' 0 CA--C 1.562 1.426 0 O-C-N 128.07 3.356 . . . . 0.0 119.307 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.276 16.6 p90 -91.07 -35.63 14.49 Favored 'General case' 1 N--CA 1.574 5.742 0 O-C-N 120.499 -1.376 . . . . 0.0 111.754 173.009 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.2 t -82.13 52.82 2.08 Favored 'General case' 0 C--O 1.299 3.701 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 161.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.339 0.0 OUTLIER -79.28 -35.15 41.77 Favored 'General case' 2 N--CA 1.578 5.96 0 N-CA-C 121.176 3.769 . . . . 0.0 121.176 179.649 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.3 p -74.76 -51.99 12.67 Favored 'General case' 0 C--N 1.294 -1.819 2 CA-C-N 102.26 -6.791 . . . . 0.0 105.045 169.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.38 71.96 0.7 Allowed Glycine 1 C--N 1.561 13.044 1 CA-C-O 109.717 -6.046 . . . . 0.0 112.83 173.756 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.83 74.32 0.66 Allowed 'Trans proline' 2 N--CA 1.615 8.649 1 CA-C-N 133.853 8.827 . . . . 0.0 114.907 -173.433 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.63 ' CB ' ' CA ' ' A' ' 26' ' ' LEU 0.354 6.0 mp -146.15 -37.89 0.24 Allowed 'General case' 0 C--N 1.425 3.856 0 CA-C-N 120.934 1.697 . . . . 0.0 113.685 -170.292 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 15.6 p -139.97 146.92 48.83 Favored Pre-proline 1 C--O 1.309 4.213 0 C-N-CA 114.49 -2.884 . . . . 0.0 111.226 169.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.472 ' O ' ' HB3' ' A' ' 29' ' ' ALA 0.378 10.3 Cg_endo -73.58 100.39 1.25 Allowed 'Trans proline' 3 CA--C 1.726 10.108 0 CA-C-N 122.938 2.085 . . . . 0.0 112.659 -172.867 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.662 ' C ' ' CA ' ' A' ' 30' ' ' CYS . . . 67.64 30.81 6.37 Favored 'General case' 0 N--CA 1.529 3.513 0 C-N-CA 117.237 -1.785 . . . . 0.0 114.645 172.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 1.515 ' N ' ' CA ' ' A' ' 30' ' ' CYS 0.29 18.1 t -101.08 6.76 43.44 Favored 'General case' 1 N--CA 1.696 11.862 0 CA-C-N 123.999 3.09 . . . . 0.0 115.617 -167.154 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.367 1.5 tmt? -81.43 -41.79 21.33 Favored 'General case' 1 CA--C 1.661 5.216 1 CA-C-O 102.778 -8.248 . . . . 0.0 105.851 176.429 . . . . . . . . 4 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -64.05 -36.92 85.57 Favored 'General case' 1 CA--C 1.654 4.973 1 O-C-N 131.021 5.201 . . . . 0.0 110.498 179.34 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' GLN . . . -55.69 -41.63 74.03 Favored 'General case' 0 C--N 1.398 2.675 0 C-N-CA 129.103 2.961 . . . . 0.0 117.114 -177.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -55.76 -36.43 67.32 Favored 'General case' 1 CA--C 1.673 5.681 1 CA-C-O 110.816 -4.421 . . . . 0.0 104.792 168.364 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.516 3.5 mp -70.7 -33.25 70.68 Favored 'General case' 0 CA--C 1.602 2.945 0 O-C-N 126.753 2.533 . . . . 0.0 111.637 172.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 33' ' ' ALA 0.354 40.2 mt-30 -39.17 -58.03 1.98 Allowed Pre-proline 0 CA--C 1.61 3.27 0 C-N-CA 117.894 -1.522 . . . . 0.0 114.019 158.418 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -72.62 -44.8 0.64 Allowed 'Trans proline' 1 CA--C 1.63 5.317 0 CA-C-N 126.329 3.296 . . . . 0.0 114.68 165.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.426 48.5 tt0 . . . . . 1 CA--C 1.667 5.445 1 CA-C-O 108.456 -5.545 . . . . 0.0 114.652 -178.108 . . . . . . . . 3 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 17.0 p-90 . . . . . 0 CA--C 1.608 3.197 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.3 mp -54.22 -41.1 68.3 Favored 'General case' 1 N--CA 1.544 4.242 0 O-C-N 124.974 1.422 . . . . 0.0 112.056 165.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.6 tp -55.31 -29.49 23.53 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.185 1 CA-C-O 129.498 4.475 . . . . 0.0 112.638 165.229 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.4 t -73.41 -61.54 1.79 Allowed 'General case' 0 C--N 1.41 3.211 1 CA-C-O 111.666 -4.016 . . . . 0.0 116.532 177.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.49 ' HA ' ' HB2' ' A' ' 9' ' ' CYS 0.389 4.6 pt-20 -50.58 -52.47 38.85 Favored 'General case' 1 C--N 1.432 4.192 1 O-C-N 129.328 4.142 . . . . 0.0 118.76 175.278 . . . . . . . . 5 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.317 1.0 OUTLIER -80.7 -58.59 0.53 Allowed Pre-proline 0 C--N 1.401 2.837 0 O-C-N 118.113 -2.867 . . . . 0.0 112.454 -169.164 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -64.62 -61.18 0.11 Allowed 'Trans proline' 1 C--N 1.482 7.591 1 O-C-N 112.349 -4.606 . . . . 0.0 117.84 171.482 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.279 87.2 m -78.47 -46.45 19.67 Favored 'General case' 1 N--CA 1.589 6.519 0 C-N-CA 126.776 2.031 . . . . 0.0 115.617 -164.705 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 5' ' ' GLU . 0.5 OUTLIER -66.58 -37.09 84.2 Favored 'General case' 0 C--O 1.279 2.618 1 O-C-N 130.62 4.95 . . . . 0.0 108.069 175.524 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.487 ' O ' ' HB ' ' A' ' 13' ' ' THR . 22.9 ttt-85 -57.59 -41.9 82.12 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-O 117.991 -1.005 . . . . 0.0 112.664 164.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -66.02 -35.34 80.3 Favored 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 167.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.584 HH12 HD13 ' A' ' 26' ' ' LEU 0.644 1.8 ptp180 -53.76 -41.87 67.61 Favored 'General case' 0 CA--C 1.578 2.056 0 CA-C-O 112.52 -3.61 . . . . 0.0 108.049 162.427 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' ' 10' ' ' ARG 0.406 23.3 m -49.06 -29.05 4.6 Favored 'General case' 2 N--CA 1.617 7.919 0 N-CA-C 120.904 3.668 . . . . 0.0 120.904 160.597 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.31 0.3 OUTLIER -65.83 -34.7 78.76 Favored 'General case' 0 N--CA 1.531 3.601 1 O-C-N 132.114 5.884 . . . . 0.0 110.758 161.681 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.434 ' C ' ' CA ' ' A' ' 16' ' ' LEU 0.307 51.0 m170 -65.77 -35.73 81.54 Favored 'General case' 0 N--CA 1.514 2.738 0 O-C-N 118.14 -2.85 . . . . 0.0 106.279 174.365 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.532 ' CA ' ' N ' ' A' ' 16' ' ' LEU 0.266 2.2 tt -52.04 -34.35 15.03 Favored Pre-proline 2 N--CA 1.697 11.879 0 N-CA-C 119.328 3.084 . . . . 0.0 119.328 178.514 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.462 51.4 Cg_exo -50.69 -29.46 25.76 Favored 'Trans proline' 0 C--N 1.397 3.103 1 N-CA-C 123.46 4.369 . . . . 0.0 123.46 153.038 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.454 3.7 pp -88.4 -52.08 5.38 Favored 'General case' 2 N--CA 1.544 4.265 0 O-C-N 127.983 3.302 . . . . 0.0 112.546 164.132 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 65.03 30.54 11.69 Favored 'General case' 1 CA--C 1.649 4.769 1 C-N-CA 133.111 4.564 . . . . 0.0 111.503 176.228 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.364 42.3 p90 -90.2 -40.56 12.12 Favored 'General case' 0 C--O 1.275 2.409 0 O-C-N 118.412 -2.68 . . . . 0.0 110.574 169.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.4 t -77.03 42.28 0.31 Allowed 'General case' 1 CA--C 1.659 5.138 0 O-C-N 127.79 3.181 . . . . 0.0 118.654 165.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.36 0.0 OUTLIER -78.99 -38.2 37.37 Favored 'General case' 0 C--O 1.293 3.383 0 CA-C-O 115.917 -1.992 . . . . 0.0 113.398 -170.021 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -72.42 -35.46 68.36 Favored 'General case' 0 CA--C 1.607 3.157 1 CA-C-O 108.543 -5.503 . . . . 0.0 111.663 165.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 44.82 80.72 0.04 OUTLIER Glycine 0 C--N 1.393 3.732 1 CA-C-O 109.182 -6.343 . . . . 0.0 112.556 172.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.318 4.2 Cg_exo -63.65 72.91 0.16 Allowed 'Trans proline' 0 C--N 1.389 2.68 1 CA-C-N 131.288 7.544 . . . . 0.0 119.011 -177.953 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.584 HD13 HH12 ' A' ' 12' ' ' ARG . 3.0 mp -143.29 -45.49 0.29 Allowed 'General case' 1 N--CA 1.586 6.368 1 CA-C-O 109.568 -5.015 . . . . 0.0 110.996 -168.468 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.324 26.5 p -132.01 149.24 72.74 Favored Pre-proline 0 C--O 1.203 -1.384 0 CA-C-N 123.274 2.761 . . . . 0.0 107.052 176.672 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.332 6.7 Cg_endo -76.74 87.78 1.44 Allowed 'Trans proline' 2 CA--C 1.655 6.529 0 O-C-N 113.583 -3.956 . . . . 0.0 109.284 178.363 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 78.47 21.89 0.76 Allowed 'General case' 0 N--CA 1.531 3.594 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 166.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.477 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.251 10.7 t -87.98 3.83 47.25 Favored 'General case' 1 N--CA 1.581 6.088 2 CA-C-O 128.812 4.149 . . . . 0.0 122.146 -167.7 . . . . . . . . 5 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -80.2 -46.19 16.74 Favored 'General case' 0 CA--C 1.602 2.971 1 CA-C-O 106.127 -6.654 . . . . 0.0 106.883 174.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -53.76 -44.0 69.64 Favored 'General case' 2 CA--C 1.65 4.801 1 CA-C-N 127.887 4.858 . . . . 0.0 112.254 178.522 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.2 54.53 Favored 'General case' 1 N--CA 1.551 4.613 1 CA-C-O 110.286 -4.673 . . . . 0.0 115.004 -175.363 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -51.77 -43.22 62.92 Favored 'General case' 0 N--CA 1.429 -1.515 1 O-C-N 129.825 4.453 . . . . 0.0 113.466 163.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.731 4.6 mp -59.27 -30.21 68.13 Favored 'General case' 1 N--CA 1.633 8.678 0 C-N-CA 127.414 2.286 . . . . 0.0 113.855 164.144 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -55.24 -45.73 99.8 Favored Pre-proline 2 CA--C 1.704 6.892 1 CA-C-O 110.419 -4.61 . . . . 0.0 109.75 167.263 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -74.62 -48.08 0.2 Allowed 'Trans proline' 1 CA--C 1.628 5.189 0 CA-C-N 126.025 3.187 . . . . 0.0 113.425 163.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.465 46.4 tt0 . . . . . 2 C--N 1.486 6.536 1 CA-C-O 110.296 -4.669 . . . . 0.0 107.559 -177.021 . . . . . . . . 3 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 . . . . . 1 N--CA 1.554 4.735 0 N-CA-C 121.17 3.767 . . . . 0.0 121.17 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -51.05 -35.09 32.77 Favored 'General case' 2 CA--C 1.737 8.154 1 O-C-N 114.643 -5.035 . . . . 0.0 112.289 166.709 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.5 tp -53.46 -29.83 17.19 Favored 'Isoleucine or valine' 1 CA--C 1.662 5.255 0 N-CA-C 117.011 2.226 . . . . 0.0 117.011 156.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.9 t -75.37 -69.27 0.49 Allowed 'General case' 0 C--O 1.285 2.968 0 CA-C-N 110.73 -2.941 . . . . 0.0 104.401 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.563 ' HA ' ' HB2' ' A' ' 9' ' ' CYS . 3.3 pt-20 -47.98 -54.03 14.22 Favored 'General case' 2 C--N 1.459 5.334 0 CA-C-O 114.176 -2.821 . . . . 0.0 112.211 -176.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.506 0.9 OUTLIER -75.22 -63.79 0.66 Allowed Pre-proline 2 C--N 1.448 4.89 0 CA-C-N 123.838 3.017 . . . . 0.0 109.819 -170.686 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -68.72 -66.16 0.04 OUTLIER 'Trans proline' 2 N--CA 1.551 4.858 1 O-C-N 113.333 -4.088 . . . . 0.0 113.968 177.972 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.1 m -76.98 -43.47 34.82 Favored 'General case' 0 N--CA 1.536 3.871 1 CA-C-O 110.924 -4.37 . . . . 0.0 119.371 -166.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.563 ' HB2' ' HA ' ' A' ' 5' ' ' GLU 0.312 1.3 m -48.07 -50.95 26.37 Favored 'General case' 0 N--CA 1.525 3.301 1 O-C-N 130.212 4.695 . . . . 0.0 111.487 162.528 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.541 ' O ' ' HB ' ' A' ' 13' ' ' THR . 26.7 ttt-85 -55.87 -36.28 67.41 Favored 'General case' 2 CA--C 1.644 4.591 0 O-C-N 118.298 -2.751 . . . . 0.0 111.949 167.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.502 ' O ' ' HB2' ' A' ' 14' ' ' ARG 0.279 42.1 m-80 -70.41 -36.87 74.29 Favored 'General case' 0 N--CA 1.502 2.137 0 CA-C-O 112.835 -3.46 . . . . 0.0 112.406 171.024 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.68 HH12 HD13 ' A' ' 26' ' ' LEU 0.501 3.2 ptp180 -58.39 -30.68 67.01 Favored 'General case' 0 C--N 1.384 2.07 0 O-C-N 126.472 2.358 . . . . 0.0 110.425 166.515 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 1.533 ' CA ' ' C ' ' A' ' 13' ' ' THR . 54.7 m -60.72 -27.29 67.8 Favored 'General case' 2 CA--C 1.753 8.757 1 O-C-N 115.737 -4.352 . . . . 0.0 115.279 166.536 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -68.93 -32.39 71.96 Favored 'General case' 1 CA--C 1.636 4.281 0 CA-C-O 114.207 -2.806 . . . . 0.0 112.586 160.213 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 23.2 m170 -60.2 -25.61 65.73 Favored 'General case' 0 CA--C 1.585 2.302 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 164.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.4 ' CA ' ' N ' ' A' ' 16' ' ' LEU . 1.3 tt -56.23 -29.47 5.9 Favored Pre-proline 2 N--CA 1.85 19.534 1 CA-C-O 111.124 -4.274 . . . . 0.0 114.593 176.415 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.301 19.0 Cg_exo -59.91 -32.89 95.87 Favored 'Trans proline' 1 N--CA 1.537 4.051 2 C-N-CA 129.586 6.857 . . . . 0.0 117.179 159.086 . . . . . . . . 4 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -87.12 -46.94 9.31 Favored 'General case' 0 N--CA 1.527 3.391 1 CA-C-O 110.507 -4.568 . . . . 0.0 112.374 162.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.429 7.3 tt0 69.35 7.52 6.28 Favored 'General case' 0 C--N 1.372 1.546 1 O-C-N 129.59 4.306 . . . . 0.0 115.516 173.976 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -78.64 -26.06 45.1 Favored 'General case' 0 C--N 1.406 3.028 0 N-CA-C 119.513 3.153 . . . . 0.0 119.513 170.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.6 t -91.69 47.78 1.39 Allowed 'General case' 0 CA--C 1.627 3.908 1 O-C-N 130.452 4.845 . . . . 0.0 112.186 168.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -92.9 -16.76 24.83 Favored 'General case' 0 C--O 1.177 -2.727 0 CA-C-N 125.657 3.844 . . . . 0.0 115.912 -169.545 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.298 2.7 p -86.11 -36.39 19.62 Favored 'General case' 0 CA--C 1.623 3.768 0 C-N-CA 129.762 3.225 . . . . 0.0 107.892 159.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 33.53 76.78 0.04 OUTLIER Glycine 1 CA--C 1.591 4.823 2 CA-C-O 110.454 -5.637 . . . . 0.0 123.798 -175.543 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -58.82 79.54 0.05 OUTLIER 'Trans proline' 0 CA--C 1.584 2.975 1 CA-C-N 125.698 4.749 . . . . 0.0 116.625 -172.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.68 HD13 HH12 ' A' ' 12' ' ' ARG 0.379 4.6 mp -146.14 -40.82 0.21 Allowed 'General case' 1 CA--C 1.629 4.016 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -169.757 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.392 14.3 p -137.31 151.42 71.45 Favored Pre-proline 0 C--N 1.401 2.81 0 N-CA-C 105.278 -2.119 . . . . 0.0 105.278 178.227 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -78.11 90.31 1.27 Allowed 'Trans proline' 2 CA--C 1.413 -5.561 1 C-N-CA 126.331 4.687 . . . . 0.0 111.251 167.081 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.279 . . 65.63 32.27 9.29 Favored 'General case' 0 CA--C 1.604 3.054 0 O-C-N 117.254 -3.404 . . . . 0.0 114.761 165.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.488 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.431 10.9 t -80.67 -6.35 58.25 Favored 'General case' 1 CA--C 1.673 5.693 0 C-N-CA 127.527 2.331 . . . . 0.0 116.481 -175.066 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.95 -58.44 3.32 Favored 'General case' 0 N--CA 1.506 2.34 0 CA-C-O 116.421 -1.752 . . . . 0.0 110.954 169.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -41.98 -41.86 2.64 Favored 'General case' 0 N--CA 1.53 3.548 2 O-C-N 114.003 -5.435 . . . . 0.0 121.443 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HA ' ' HG3' ' A' ' 36' ' ' GLN . . . -58.46 -28.59 65.47 Favored 'General case' 0 N--CA 1.505 2.282 1 C-N-CA 132.682 4.393 . . . . 0.0 120.721 178.012 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 5' ' ' GLU 0.289 6.0 m -62.12 -41.95 98.75 Favored 'General case' 0 CA--C 1.585 2.324 0 C-N-CA 129.203 3.001 . . . . 0.0 114.019 159.173 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.661 5.0 mp -58.1 -21.8 47.83 Favored 'General case' 2 CA--C 1.712 7.19 0 O-C-N 127.295 2.872 . . . . 0.0 113.642 165.192 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.424 ' HG3' ' HA ' ' A' ' 33' ' ' ALA 0.448 21.7 mt-30 -59.75 -50.26 87.65 Favored Pre-proline 2 N--CA 1.593 6.706 1 CA-C-O 111.324 -4.179 . . . . 0.0 104.748 169.111 . . . . . . . . 5 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.374 2.7 Cg_exo -67.61 -55.71 0.26 Allowed 'Trans proline' 1 C--N 1.426 4.627 1 C-N-CA 129.082 6.521 . . . . 0.0 111.785 164.996 . . . . . . . . 4 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.398 42.6 tt0 . . . . . 1 C--N 1.471 5.888 1 CA-C-O 111.47 -4.109 . . . . 0.0 113.26 -172.189 . . . . . . . . 3 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.581 ' HE3' ' HG ' ' A' ' 30' ' ' CYS . 8.9 p-90 . . . . . 2 CA--C 1.692 6.421 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.25 5.6 mp -42.74 -37.81 1.88 Allowed 'General case' 0 C--N 1.418 3.576 0 C-N-CA 125.222 1.409 . . . . 0.0 112.108 152.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.329 10.6 tp -74.33 -31.52 28.82 Favored 'Isoleucine or valine' 1 CA--C 1.636 4.287 1 CA-C-O 109.163 -5.208 . . . . 0.0 110.674 177.504 . . . . . . . . 4 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.2 t -72.64 -51.88 17.68 Favored 'General case' 0 CA--C 1.629 4.0 1 O-C-N 132.881 6.363 . . . . 0.0 111.531 176.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.375 4.8 pt-20 -56.15 -59.53 4.8 Favored 'General case' 0 C--N 1.412 3.289 0 CA-C-N 111.214 -2.721 . . . . 0.0 117.829 -177.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.388 0.6 OUTLIER -72.47 -57.14 3.61 Favored Pre-proline 0 C--O 1.175 -2.864 1 CA-C-O 111.144 -4.265 . . . . 0.0 110.939 -178.266 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -72.92 -64.25 0.03 OUTLIER 'Trans proline' 1 N--CA 1.65 10.704 1 CA-C-N 132.09 5.354 . . . . 0.0 120.191 174.389 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.6 m -72.54 -43.48 63.44 Favored 'General case' 0 N--CA 1.519 2.989 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 -170.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.56 -45.48 86.89 Favored 'General case' 0 CA--C 1.482 -1.645 0 CA-C-O 116.912 -1.518 . . . . 0.0 113.605 169.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.9 ttt-85 -52.97 -37.97 61.71 Favored 'General case' 2 CA--C 1.674 5.742 0 N-CA-C 104.338 -2.467 . . . . 0.0 104.338 167.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.518 55.0 m-80 -71.38 -34.28 70.28 Favored 'General case' 1 N--CA 1.55 4.541 0 O-C-N 118.964 -2.335 . . . . 0.0 112.952 170.042 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.525 HH12 HD13 ' A' ' 26' ' ' LEU 0.592 0.5 OUTLIER -57.47 -36.72 71.81 Favored 'General case' 0 N--CA 1.519 3.0 0 CA-C-O 124.502 2.096 . . . . 0.0 111.584 163.874 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.549 33.2 m -52.55 -30.54 31.21 Favored 'General case' 2 CA--C 1.682 6.034 1 O-C-N 115.748 -4.345 . . . . 0.0 110.655 163.31 . . . . . . . . 4 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.282 0.1 OUTLIER -73.25 -30.47 63.47 Favored 'General case' 0 CA--C 1.573 1.864 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.936 165.236 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 1.396 ' C ' ' CA ' ' A' ' 15' ' ' HIS 0.393 7.1 m170 -63.34 -25.82 68.48 Favored 'General case' 1 CA--C 1.899 14.39 0 N-CA-C 104.454 -2.424 . . . . 0.0 104.454 172.737 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.9 -38.87 64.94 Favored Pre-proline 1 N--CA 1.546 4.367 0 CA-C-O 113.063 -3.351 . . . . 0.0 107.473 -168.552 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -53.84 -34.61 76.29 Favored 'Trans proline' 1 N--CA 1.583 6.787 2 N-CA-C 125.998 5.345 . . . . 0.0 125.998 159.566 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 20' ' ' PHE 0.414 2.7 pp -78.52 -60.82 2.22 Favored 'General case' 2 N--CA 1.582 6.143 0 CA-C-O 127.238 3.399 . . . . 0.0 104.708 164.774 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 75.93 14.77 2.57 Favored 'General case' 1 N--CA 1.564 5.269 0 O-C-N 117.46 -3.275 . . . . 0.0 117.206 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.401 ' CD1' HD13 ' A' ' 18' ' ' LEU 0.318 25.4 p90 -78.31 -27.52 47.22 Favored 'General case' 0 C--N 1.39 2.348 0 O-C-N 118.07 -2.894 . . . . 0.0 117.087 167.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.0 t -103.41 49.77 0.82 Allowed 'General case' 1 N--CA 1.542 4.171 0 O-C-N 120.937 -1.102 . . . . 0.0 109.732 171.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.368 0.0 OUTLIER -67.09 -16.03 64.08 Favored 'General case' 1 C--O 1.316 4.558 1 N-CA-C 127.171 5.989 . . . . 0.0 127.171 164.591 . . . . . . . . 5 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 p -99.3 -49.32 4.5 Favored 'General case' 0 CA--C 1.618 3.57 0 CA-C-N 110.632 -2.986 . . . . 0.0 115.218 163.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 41.27 86.39 0.01 OUTLIER Glycine 0 CA--C 1.573 3.677 1 O-C-N 132.242 5.964 . . . . 0.0 110.032 174.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.398 60.6 Cg_endo -49.87 68.03 0.02 OUTLIER 'Trans proline' 1 CA--C 1.695 8.571 2 C-N-CA 128.512 6.142 . . . . 0.0 122.845 170.726 . . . . . . . . 4 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD13 HH12 ' A' ' 12' ' ' ARG . 1.7 mp -134.74 -35.52 0.87 Allowed 'General case' 0 N--CA 1.524 3.239 1 C-N-CA 132.126 4.17 . . . . 0.0 121.183 -178.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.714 ' SG ' ' HB3' ' A' ' 30' ' ' CYS 0.456 19.4 p -155.08 137.86 10.35 Favored Pre-proline 0 C--O 1.193 -1.905 1 CA-C-O 131.658 5.504 . . . . 0.0 105.629 -165.093 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.48 105.64 1.06 Allowed 'Trans proline' 1 N--CA 1.649 10.653 3 CA-C-O 133.828 5.679 . . . . 0.0 98.124 -178.615 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 38.16 44.29 0.65 Allowed 'General case' 1 N--CA 1.601 7.105 1 O-C-N 109.696 -8.127 . . . . 0.0 117.36 172.894 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.714 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.455 50.3 t -79.25 -7.4 58.24 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 111.838 -3.934 . . . . 0.0 112.037 175.586 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.522 ' SD ' ' C ' ' A' ' 31' ' ' MET . 0.0 OUTLIER -76.43 -36.65 57.87 Favored 'General case' 2 N--CA 1.664 10.236 1 CA-C-N 129.779 5.718 . . . . 0.0 116.451 169.614 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.457 25.5 pttt -56.87 -48.78 77.34 Favored 'General case' 0 N--CA 1.52 3.062 0 O-C-N 120.338 -1.476 . . . . 0.0 111.127 176.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.269 . . -48.7 -28.12 3.36 Favored 'General case' 0 CA--C 1.589 2.448 0 CA-C-O 128.491 3.996 . . . . 0.0 121.709 172.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.319 1.0 OUTLIER -70.82 -38.82 73.28 Favored 'General case' 0 N--CA 1.521 3.118 1 O-C-N 115.646 -4.409 . . . . 0.0 115.422 170.124 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.375 3.1 mp -60.7 -27.08 67.62 Favored 'General case' 0 CA--C 1.428 -3.722 1 CA-C-O 109.608 -4.996 . . . . 0.0 106.376 166.896 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.29 29.2 mt-30 -50.33 -49.18 78.28 Favored Pre-proline 1 N--CA 1.545 4.295 1 CA-C-N 129.84 5.746 . . . . 0.0 108.715 170.716 . . . . . . . . 4 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.264 2.9 Cg_exo -70.0 -47.99 0.75 Allowed 'Trans proline' 0 CA--C 1.579 2.766 0 CA-C-N 125.476 2.992 . . . . 0.0 112.303 166.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.318 18.3 tt0 . . . . . 1 N--CA 1.54 4.044 1 O-C-N 114.846 -4.909 . . . . 0.0 100.719 -166.276 . . . . . . . . 3 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.299 1.5 p-90 . . . . . 1 N--CA 1.54 4.069 1 CA-C-O 111.006 -4.33 . . . . 0.0 114.354 . . . . . . . . . 3 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.293 ' C ' ' CA ' ' A' ' 2' ' ' LEU 0.57 8.0 mp -69.03 -23.87 64.12 Favored 'General case' 1 CA--C 2.004 18.405 0 O-C-N 128.948 3.905 . . . . 0.0 107.909 165.314 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.323 8.3 tp -76.54 -30.07 18.94 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.696 1 O-C-N 131.958 5.786 . . . . 0.0 111.689 169.765 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 t -72.19 -56.33 5.73 Favored 'General case' 1 C--N 1.434 4.267 0 O-C-N 127.851 3.219 . . . . 0.0 115.915 162.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.282 9.8 pt-20 -57.55 -70.89 0.11 Allowed 'General case' 0 N--CA 1.53 3.564 1 CA-C-O 110.384 -4.627 . . . . 0.0 110.205 -173.899 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.308 51.6 tp10 -60.41 -63.7 3.96 Favored Pre-proline 0 N--CA 1.537 3.9 1 CA-C-O 111.67 -4.014 . . . . 0.0 112.74 -163.305 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.265 8.1 Cg_endo -72.9 -55.59 0.1 OUTLIER 'Trans proline' 0 N--CA 1.424 -2.599 1 CA-C-O 108.047 -5.064 . . . . 0.0 121.163 172.839 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.253 8.4 m -71.86 -36.84 70.25 Favored 'General case' 0 CA--C 1.601 2.917 0 CA-C-N 124.025 3.102 . . . . 0.0 118.96 -171.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.455 ' SG ' ' NE ' ' A' ' 12' ' ' ARG 0.521 19.1 m -66.79 -27.67 67.76 Favored 'General case' 1 CA--C 1.642 4.495 0 CA-C-N 110.618 -2.992 . . . . 0.0 114.87 170.554 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -64.67 -46.96 80.23 Favored 'General case' 1 N--CA 1.613 7.72 0 O-C-N 118.684 -2.51 . . . . 0.0 107.821 173.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -68.93 -28.23 66.47 Favored 'General case' 0 C--N 1.363 1.174 0 O-C-N 120.902 -1.124 . . . . 0.0 112.899 172.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.455 ' NE ' ' SG ' ' A' ' 9' ' ' CYS 0.378 0.1 OUTLIER -72.76 -28.14 62.44 Favored 'General case' 1 N--CA 1.568 5.451 1 CA-C-O 106.651 -6.404 . . . . 0.0 108.68 164.951 . . . . . . . . 6 4 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.459 44.1 m -59.52 -31.17 69.13 Favored 'General case' 2 C--N 1.238 -4.256 1 CA-C-N 127.969 4.895 . . . . 0.0 115.529 159.156 . . . . . . . . 4 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 1.525 ' C ' ' CA ' ' A' ' 14' ' ' ARG 0.445 2.7 mpt_? -66.46 -32.42 73.78 Favored 'General case' 2 CA--C 1.771 9.476 1 CA-C-O 110.494 -4.574 . . . . 0.0 102.504 162.025 . . . . . . . . 5 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.519 66.6 m170 -47.89 -33.84 8.09 Favored 'General case' 0 C--N 1.37 1.477 0 CA-C-N 123.167 2.712 . . . . 0.0 117.511 162.439 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -49.0 96.45 Favored Pre-proline 0 CA--C 1.486 -1.502 0 O-C-N 117.964 -2.96 . . . . 0.0 112.233 -167.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.445 3.6 Cg_exo -46.48 -68.99 0.09 OUTLIER 'Trans proline' 2 C--N 1.442 5.468 1 O-C-N 112.4 -4.579 . . . . 0.0 115.631 165.748 . . . . . . . . 4 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 19' ' ' GLN 0.384 4.5 pp -44.93 -46.18 10.85 Favored 'General case' 2 C--N 1.516 7.821 0 C-N-CA 126.103 1.761 . . . . 0.0 111.684 174.399 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.49 ' N ' HD12 ' A' ' 18' ' ' LEU 0.34 0.1 OUTLIER 55.0 14.98 1.03 Allowed 'General case' 0 C--O 1.285 2.925 1 N-CA-C 133.115 8.191 . . . . 0.0 133.115 174.117 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -92.25 -3.15 55.9 Favored 'General case' 2 CA--C 1.666 5.439 0 O-C-N 120.135 -1.603 . . . . 0.0 110.15 166.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.56 36.37 2.19 Favored 'General case' 0 N--CA 1.536 3.842 1 N-CA-C 122.315 4.191 . . . . 0.0 122.315 166.009 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.251 0.0 OUTLIER -62.3 -23.11 66.55 Favored 'General case' 1 C--O 1.306 4.063 1 CA-C-N 106.76 -4.746 . . . . 0.0 119.681 179.967 . . . . . . . . 5 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.454 17.7 p -91.86 -69.84 0.72 Allowed 'General case' 0 CA--C 1.438 -3.353 0 C-N-CA 129.525 3.13 . . . . 0.0 112.66 162.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.0 85.61 0.08 OUTLIER Glycine 1 C--N 1.427 5.63 0 CA-C-O 115.236 -2.98 . . . . 0.0 109.289 171.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -73.49 81.31 1.82 Allowed 'Trans proline' 1 CA--C 1.638 5.716 1 O-C-N 129.87 4.616 . . . . 0.0 117.196 179.514 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.546 ' CG ' ' CB ' ' A' ' 26' ' ' LEU . 5.1 mp -138.23 -78.22 0.36 Allowed 'General case' 1 CA--C 1.713 7.216 2 C-N-CA 133.753 4.821 . . . . 0.0 98.062 -175.304 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 22.3 p -125.47 162.34 45.05 Favored Pre-proline 0 N--CA 1.516 2.851 0 O-C-N 128.366 3.541 . . . . 0.0 120.428 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.298 7.1 Cg_endo -76.92 79.12 3.19 Favored 'Trans proline' 1 CA--C 1.648 6.2 0 C-N-CA 123.594 2.863 . . . . 0.0 116.323 -173.057 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.427 . . 48.89 43.28 21.44 Favored 'General case' 2 N--CA 1.602 7.133 0 CA-C-O 126.082 2.849 . . . . 0.0 117.118 177.846 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.58 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.338 8.6 t -74.57 -7.34 52.81 Favored 'General case' 0 C--N 1.282 -2.365 1 CA-C-N 106.446 -4.888 . . . . 0.0 113.218 171.59 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -74.36 -49.32 23.23 Favored 'General case' 0 N--CA 1.414 -2.27 1 CA-C-O 110.547 -4.549 . . . . 0.0 104.433 173.381 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -63.07 -5.2 2.83 Favored 'General case' 1 N--CA 1.551 4.6 2 CA-C-N 127.553 4.706 . . . . 0.0 118.255 175.521 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.325 . . -83.14 -39.71 20.71 Favored 'General case' 0 N--CA 1.53 3.565 1 CA-C-O 111.03 -4.319 . . . . 0.0 112.945 166.059 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.7 m -47.3 -39.17 14.07 Favored 'General case' 0 N--CA 1.529 3.506 1 CA-C-O 109.941 -4.838 . . . . 0.0 113.75 168.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.269 5.1 mp -55.91 -38.98 70.95 Favored 'General case' 0 CA--C 1.611 3.292 1 O-C-N 132.834 6.334 . . . . 0.0 121.263 168.031 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.58 -52.84 62.24 Favored Pre-proline 0 CA--C 1.6 2.875 1 CA-C-N 126.953 4.433 . . . . 0.0 109.356 -176.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -57.68 -26.08 71.16 Favored 'Trans proline' 0 C--N 1.409 3.741 1 O-C-N 111.638 -4.98 . . . . 0.0 115.177 164.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.299 3.2 pt-20 . . . . . 0 N--CA 1.493 1.706 0 CA-C-N 125.67 3.85 . . . . 0.0 109.19 167.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.284 1.1 p-90 . . . . . 0 CA--C 1.62 3.672 0 N-CA-C 118.346 2.721 . . . . 0.0 118.346 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.517 ' C ' ' CA ' ' A' ' 2' ' ' LEU . 5.9 mp -57.59 -30.0 64.93 Favored 'General case' 2 CA--C 1.766 9.285 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 148.428 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.703 ' N ' ' CA ' ' A' ' 2' ' ' LEU . 5.2 tp -78.5 -19.49 13.31 Favored 'Isoleucine or valine' 2 N--CA 1.596 6.857 0 CA-C-N 108.769 -3.832 . . . . 0.0 112.398 165.335 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.315 9.6 t -81.7 -62.48 1.63 Allowed 'General case' 1 CA--C 1.727 7.752 0 O-C-N 127.478 2.986 . . . . 0.0 107.36 169.868 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.502 7.2 pt-20 -44.23 -74.4 0.04 OUTLIER 'General case' 1 C--N 1.45 4.948 0 N-CA-C 119.374 3.101 . . . . 0.0 119.374 -177.534 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.459 51.5 tp10 -57.49 -65.34 1.84 Allowed Pre-proline 1 C--N 1.49 6.716 0 CA-C-O 115.756 -2.069 . . . . 0.0 111.779 -167.59 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -75.8 -58.18 0.05 OUTLIER 'Trans proline' 0 N--CA 1.531 3.732 1 CA-C-O 107.232 -5.403 . . . . 0.0 120.48 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.257 6.3 m -67.06 -40.08 87.01 Favored 'General case' 0 C--N 1.39 2.338 0 CA-C-N 125.176 3.625 . . . . 0.0 112.899 -172.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.531 ' SG ' ' NE ' ' A' ' 12' ' ' ARG 0.495 33.4 m -65.24 -32.37 74.01 Favored 'General case' 1 CA--C 1.666 5.423 0 C-N-CA 130.731 3.612 . . . . 0.0 113.829 175.501 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.301 34.1 ttt-85 -65.46 -59.04 4.41 Favored 'General case' 0 N--CA 1.53 3.536 0 CA-C-O 115.101 -2.38 . . . . 0.0 110.593 170.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -52.3 -37.41 55.68 Favored 'General case' 1 N--CA 1.666 10.369 0 O-C-N 126.506 2.379 . . . . 0.0 109.686 165.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.531 ' NE ' ' SG ' ' A' ' 9' ' ' CYS 0.824 1.2 ttp-105 -54.82 -40.16 69.25 Favored 'General case' 0 C--O 1.178 -2.694 0 N-CA-C 117.978 2.585 . . . . 0.0 117.978 162.524 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.358 45.1 m -63.67 -25.21 68.11 Favored 'General case' 1 N--CA 1.554 4.74 0 O-C-N 117.752 -3.092 . . . . 0.0 111.1 166.684 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -72.54 -25.01 61.21 Favored 'General case' 1 CA--C 1.685 6.141 0 O-C-N 117.118 -3.489 . . . . 0.0 108.58 164.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.3 59.2 m170 -54.26 -25.0 20.94 Favored 'General case' 1 C--N 1.428 4.001 0 O-C-N 119.497 -2.002 . . . . 0.0 114.38 161.908 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.269 0.2 OUTLIER -53.42 -56.67 22.21 Favored Pre-proline 0 N--CA 1.49 1.54 1 CA-C-O 107.788 -5.863 . . . . 0.0 112.182 -175.797 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -54.41 -56.09 2.8 Favored 'Trans proline' 1 CA--C 1.693 8.459 1 CA-C-O 110.177 -4.176 . . . . 0.0 117.763 175.423 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 19' ' ' GLN 0.578 4.5 pp -44.46 -44.69 8.68 Favored 'General case' 0 C--N 1.413 3.368 1 O-C-N 131.879 5.737 . . . . 0.0 119.645 169.643 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.453 ' N ' HD12 ' A' ' 18' ' ' LEU 0.406 0.4 OUTLIER 63.83 3.11 1.5 Allowed 'General case' 1 CA--C 1.662 5.277 1 N-CA-C 125.388 5.329 . . . . 0.0 125.388 163.383 . . . . . . . . 6 4 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.319 11.9 p90 -79.67 -14.88 58.47 Favored 'General case' 1 CA--C 1.657 5.062 0 CA-C-O 117.089 -1.434 . . . . 0.0 114.644 166.929 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.07 46.25 0.93 Allowed 'General case' 2 N--CA 1.564 5.234 0 CA-C-O 127.059 3.314 . . . . 0.0 116.015 169.154 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HD2' ' O ' ' A' ' 19' ' ' GLN 0.593 0.0 OUTLIER -56.65 -34.84 67.72 Favored 'General case' 1 N--CA 1.543 4.213 0 CA-C-N 110.36 -3.109 . . . . 0.0 116.796 172.587 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 p -109.49 -66.49 1.06 Allowed 'General case' 0 CA--C 1.619 3.6 3 O-C-N 130.698 4.999 . . . . 0.0 98.088 -170.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.79 103.27 0.02 OUTLIER Glycine 3 CA--C 1.609 5.914 1 N-CA-C 101.832 -4.507 . . . . 0.0 101.832 166.978 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -94.55 84.44 0.13 Allowed 'Trans proline' 1 C--N 1.449 5.817 0 C-N-CA 124.025 3.15 . . . . 0.0 109.99 -178.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -137.1 -75.05 0.42 Allowed 'General case' 1 CA--C 1.645 4.613 1 N-CA-C 96.423 -5.399 . . . . 0.0 96.423 172.538 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.421 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 31.9 p -118.36 163.29 25.95 Favored Pre-proline 0 CA--C 1.462 -2.44 2 O-C-N 112.207 -6.558 . . . . 0.0 112.821 -167.795 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -82.89 76.02 4.25 Favored 'Trans proline' 2 N--CA 1.652 10.821 0 O-C-N 115.025 -3.197 . . . . 0.0 117.013 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.47 . . 60.63 39.42 17.78 Favored 'General case' 2 N--CA 1.648 9.452 1 CA-C-O 135.543 7.354 . . . . 0.0 116.442 170.845 . . . . . . . . 4 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.421 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.544 17.1 t -79.32 -3.13 44.66 Favored 'General case' 1 CA--C 1.646 4.646 1 CA-C-N 105.223 -5.444 . . . . 0.0 109.386 176.551 . . . . . . . . 5 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -53.78 18.07 Favored 'General case' 0 C--O 1.185 -2.312 0 N-CA-C 103.057 -2.942 . . . . 0.0 103.057 171.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -55.71 -25.44 40.15 Favored 'General case' 0 CA--C 1.623 3.755 1 CA-C-N 128.113 4.96 . . . . 0.0 113.35 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.518 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.364 . . -63.26 -45.6 90.75 Favored 'General case' 1 C--N 1.503 7.253 0 CA-C-O 112.026 -3.845 . . . . 0.0 116.134 169.718 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 m -49.23 -39.01 28.39 Favored 'General case' 1 N--CA 1.545 4.284 1 O-C-N 129.479 4.237 . . . . 0.0 117.111 172.292 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -56.37 -43.7 79.45 Favored 'General case' 0 CA--C 1.61 3.263 0 O-C-N 128.952 3.908 . . . . 0.0 111.727 169.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -66.7 -52.94 31.06 Favored Pre-proline 2 N--CA 1.558 4.974 2 CA-C-N 131.923 6.692 . . . . 0.0 105.765 -170.442 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.518 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.288 1.7 Cg_endo -52.28 -23.76 19.07 Favored 'Trans proline' 1 CA--C 1.64 5.811 1 C-N-CA 125.62 4.213 . . . . 0.0 110.541 167.489 . . . . . . . . 5 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.661 2.2 pt-20 . . . . . 0 N--CA 1.535 3.786 0 CA-C-O 114.447 -2.692 . . . . 0.0 106.918 172.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.468 1.5 p-90 . . . . . 0 CA--C 1.627 3.913 1 N-CA-C 122.18 4.141 . . . . 0.0 122.18 . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.467 6.1 mp -81.13 -31.03 34.37 Favored 'General case' 1 N--CA 1.598 6.973 1 CA-C-O 110.6 -4.524 . . . . 0.0 100.489 175.188 . . . . . . . . 4 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.7 tp -72.44 -24.15 21.74 Favored 'Isoleucine or valine' 1 CA--C 1.705 6.924 0 CA-C-O 126.977 3.275 . . . . 0.0 109.245 166.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.38 2.6 t -63.41 -59.69 4.35 Favored 'General case' 0 C--O 1.181 -2.542 1 O-C-N 114.494 -5.129 . . . . 0.0 120.214 164.228 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.327 2.9 pt-20 -61.87 -61.42 2.51 Favored 'General case' 1 N--CA 1.628 8.464 0 O-C-N 128.812 3.82 . . . . 0.0 120.189 -175.587 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -68.66 -58.49 6.82 Favored Pre-proline 0 CA--C 1.598 2.799 0 O-C-N 116.734 -3.729 . . . . 0.0 107.805 -173.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.387 52.6 Cg_endo -70.79 -61.32 0.05 OUTLIER 'Trans proline' 0 CA--C 1.592 3.402 2 O-C-N 111.991 -4.794 . . . . 0.0 122.005 -178.529 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 m -68.96 -42.0 77.22 Favored 'General case' 0 N--CA 1.531 3.598 0 CA-C-O 114.194 -2.812 . . . . 0.0 114.211 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.581 99.9 m -62.05 -40.23 95.06 Favored 'General case' 0 N--CA 1.526 3.354 1 O-C-N 131.621 5.575 . . . . 0.0 114.506 169.191 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -63.22 -60.57 3.23 Favored 'General case' 2 N--CA 1.573 5.695 1 CA-C-O 111.656 -4.021 . . . . 0.0 110.855 166.379 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -49.9 -33.87 18.63 Favored 'General case' 0 N--CA 1.519 2.997 1 CA-C-N 126.467 4.212 . . . . 0.0 113.557 167.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 1.481 ' C ' ' CA ' ' A' ' 12' ' ' ARG 0.312 0.2 OUTLIER -65.35 -33.24 75.5 Favored 'General case' 2 CA--C 1.799 10.548 0 O-C-N 118.139 -2.85 . . . . 0.0 106.542 169.164 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.315 40.1 m -64.68 -27.82 69.19 Favored 'General case' 0 C--N 1.376 1.739 0 C-N-CA 112.539 -3.665 . . . . 0.0 113.553 169.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.409 2.6 mpt_? -59.71 -25.93 65.2 Favored 'General case' 1 CA--C 1.633 4.161 0 CA-C-O 126.253 2.93 . . . . 0.0 115.119 161.489 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -62.4 -24.14 67.23 Favored 'General case' 0 N--CA 1.505 2.324 1 O-C-N 115.056 -4.778 . . . . 0.0 114.44 165.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.36 0.3 OUTLIER -50.84 -47.71 85.46 Favored Pre-proline 0 CA--C 1.567 1.596 0 C-N-CA 125.123 1.369 . . . . 0.0 111.271 -176.454 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.506 10.8 Cg_endo -56.85 -50.45 11.53 Favored 'Trans proline' 2 N--CA 1.603 7.932 2 O-C-N 111.342 -5.136 . . . . 0.0 109.89 167.283 . . . . . . . . 4 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.315 4.6 pp -63.07 -44.59 95.39 Favored 'General case' 1 N--CA 1.564 5.227 1 O-C-N 109.989 -7.944 . . . . 0.0 112.484 -171.673 . . . . . . . . 4 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.31 7.64 4.37 Favored 'General case' 0 C--N 1.423 3.77 2 O-C-N 130.695 4.997 . . . . 0.0 121.878 170.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -88.03 4.17 46.13 Favored 'General case' 0 N--CA 1.523 3.186 1 CA-C-O 111.414 -4.136 . . . . 0.0 115.923 170.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.48 43.33 1.25 Allowed 'General case' 0 CA--C 1.602 2.955 0 CA-C-N 121.346 1.885 . . . . 0.0 111.009 164.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -34.1 68.07 Favored 'General case' 0 CA--C 1.62 3.657 0 N-CA-C 119.525 3.157 . . . . 0.0 119.525 170.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -97.28 -79.09 0.46 Allowed 'General case' 0 N--CA 1.537 3.875 1 N-CA-C 99.293 -4.336 . . . . 0.0 99.293 178.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.13 95.71 0.65 Allowed Glycine 1 N--CA 1.562 7.088 0 CA-C-O 113.832 -3.76 . . . . 0.0 119.348 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -102.4 69.7 0.03 OUTLIER 'Trans proline' 0 N--CA 1.505 2.168 1 CA-C-N 128.318 6.059 . . . . 0.0 116.636 -161.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -120.83 -72.4 0.69 Allowed 'General case' 1 CA--C 1.673 5.679 1 CA-C-N 105.363 -5.38 . . . . 0.0 105.585 174.912 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 29.9 p -126.42 140.16 36.52 Favored Pre-proline 2 CA--C 1.698 6.64 1 CA-C-O 108.013 -5.756 . . . . 0.0 117.449 -176.816 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.277 24.2 Cg_endo -54.24 80.53 0.03 OUTLIER 'Trans proline' 0 CA--C 1.581 2.834 1 N-CA-C 125.738 5.245 . . . . 0.0 125.738 -177.263 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 1.464 ' C ' ' CA ' ' A' ' 29' ' ' ALA 0.283 . . 46.35 56.53 6.22 Favored 'General case' 1 CA--C 1.837 12.0 0 O-C-N 126.375 2.297 . . . . 0.0 105.681 171.3 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.664 ' N ' ' CA ' ' A' ' 29' ' ' ALA 0.482 49.6 t -78.85 -11.17 59.98 Favored 'General case' 0 N--CA 1.52 3.059 2 CA-C-N 106.763 -4.744 . . . . 0.0 112.746 166.468 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.413 1.7 tmm? -59.33 -49.36 78.11 Favored 'General case' 0 CA--C 1.611 3.3 0 N-CA-C 118.458 2.762 . . . . 0.0 118.458 167.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -65.76 -22.8 66.62 Favored 'General case' 1 N--CA 1.559 5.002 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 169.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.298 . . -67.05 -37.47 84.12 Favored 'General case' 1 N--CA 1.549 4.52 0 O-C-N 119.176 -2.203 . . . . 0.0 115.912 165.839 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 m -61.47 -35.08 76.62 Favored 'General case' 2 N--CA 1.58 6.042 0 CA-C-N 120.935 1.698 . . . . 0.0 111.941 176.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.581 ' C ' ' CA ' ' A' ' 36' ' ' GLN . 2.6 mp -61.02 -43.88 98.24 Favored 'General case' 0 C--O 1.264 1.851 0 CA-C-N 111.532 -2.576 . . . . 0.0 113.391 171.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 1.503 ' CA ' ' N ' ' A' ' 36' ' ' GLN 0.668 0.0 OUTLIER -54.15 -54.21 50.16 Favored Pre-proline 1 N--CA 1.71 12.567 0 CA-C-N 125.55 3.796 . . . . 0.0 117.225 173.968 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.328 9.4 Cg_endo -59.61 -30.03 91.31 Favored 'Trans proline' 1 C--N 1.465 6.672 0 C-N-CA 124.121 3.214 . . . . 0.0 116.038 161.951 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.462 ' HG2' ' HA ' ' A' ' 35' ' ' LEU 0.308 3.8 pt-20 . . . . . 2 CA--C 1.708 7.021 0 C-N-CA 112.748 -3.581 . . . . 0.0 114.581 160.227 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.428 ' HA ' ' HB2' ' A' ' 4' ' ' CYS . 17.9 p-90 . . . . . 0 CA--C 1.593 2.634 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -69.4 -41.22 76.73 Favored 'General case' 2 C--N 1.454 5.143 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 168.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.61 -17.31 22.35 Favored 'Isoleucine or valine' 0 C--N 1.394 2.5 0 CA-C-N 110.575 -3.011 . . . . 0.0 106.351 161.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -68.01 -66.53 0.55 Allowed 'General case' 0 CA--C 1.614 3.405 1 CA-C-N 126.197 4.09 . . . . 0.0 118.911 165.963 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.537 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.397 13.1 pt-20 -56.6 -56.33 22.69 Favored 'General case' 1 N--CA 1.373 -4.309 1 CA-C-N 107.627 -4.351 . . . . 0.0 115.355 -166.774 . . . . . . . . 5 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.334 5.9 tp10 -73.46 -65.18 0.68 Allowed Pre-proline 1 N--CA 1.561 5.121 1 CA-C-O 111.155 -4.259 . . . . 0.0 109.591 -175.004 . . . . . . . . 4 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -60.02 -63.93 0.11 Allowed 'Trans proline' 0 CA--C 1.576 2.592 0 N-CA-C 122.324 3.932 . . . . 0.0 122.324 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 m -64.47 -51.3 63.72 Favored 'General case' 0 C--O 1.296 3.535 0 C-N-CA 130.26 3.424 . . . . 0.0 114.889 -176.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.1 m -67.82 -35.47 78.66 Favored 'General case' 0 N--CA 1.51 2.539 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 170.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -58.65 -38.72 78.75 Favored 'General case' 1 N--CA 1.619 7.994 0 CA-C-O 111.886 -3.912 . . . . 0.0 111.271 168.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.391 3.1 m-80 -63.98 -37.29 86.89 Favored 'General case' 0 C--O 1.273 2.339 0 CA-C-N 121.778 2.081 . . . . 0.0 115.095 173.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.396 0.2 OUTLIER -55.53 -36.74 67.09 Favored 'General case' 0 C--O 1.182 -2.473 0 O-C-N 127.336 2.897 . . . . 0.0 115.121 165.239 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.4 1.5 m -54.92 -34.57 63.28 Favored 'General case' 1 CA--C 1.645 4.6 0 CA-C-N 121.749 2.068 . . . . 0.0 112.892 166.628 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.491 0.7 OUTLIER -62.24 -31.82 72.43 Favored 'General case' 1 CA--C 1.658 5.112 0 C-N-CA 128.987 2.915 . . . . 0.0 107.246 173.476 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.307 18.1 m170 -66.4 -22.3 66.24 Favored 'General case' 1 N--CA 1.569 5.517 0 CA-C-O 112.597 -3.573 . . . . 0.0 113.368 165.519 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -38.82 72.71 Favored Pre-proline 2 N--CA 1.622 8.17 1 CA-C-O 110.126 -4.75 . . . . 0.0 110.996 -179.812 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -70.45 -26.75 24.0 Favored 'Trans proline' 0 CA--C 1.568 2.207 1 CA-C-O 103.153 -7.103 . . . . 0.0 115.376 161.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.525 HD12 ' H ' ' A' ' 20' ' ' PHE 0.264 3.9 pp -70.71 -40.05 73.06 Favored 'General case' 1 N--CA 1.636 8.849 2 CA-C-N 129.156 5.434 . . . . 0.0 113.703 172.24 . . . . . . . . 5 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.495 0.0 OUTLIER 69.86 15.05 7.95 Favored 'General case' 1 N--CA 1.565 5.277 1 CA-C-N 107.915 -4.22 . . . . 0.0 111.367 164.122 . . . . . . . . 5 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.525 ' H ' HD12 ' A' ' 18' ' ' LEU . 2.9 p90 -100.27 -2.08 34.69 Favored 'General case' 0 C--N 1.422 3.741 2 CA-C-N 127.076 4.489 . . . . 0.0 122.177 173.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.283 40.4 t -116.82 55.63 0.82 Allowed 'General case' 0 CA--C 1.606 3.117 0 CA-C-O 115.215 -2.326 . . . . 0.0 108.187 169.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -54.07 12.32 Favored 'General case' 0 N--CA 1.527 3.408 1 CA-C-O 132.806 6.05 . . . . 0.0 110.933 167.566 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.3 p -82.98 -74.84 0.34 Allowed 'General case' 0 C--N 1.424 3.846 1 O-C-N 114.798 -4.939 . . . . 0.0 102.515 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.86 109.98 0.01 OUTLIER Glycine 1 N--CA 1.56 6.966 1 CA-C-O 110.375 -5.681 . . . . 0.0 117.786 -166.008 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.36 0.5 OUTLIER -90.83 62.04 1.39 Allowed 'Trans proline' 0 CA--C 1.58 2.807 1 CA-C-N 125.408 4.604 . . . . 0.0 118.038 -172.375 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mp -126.69 -71.7 0.67 Allowed 'General case' 0 C--O 1.282 2.793 0 N-CA-C 103.374 -2.825 . . . . 0.0 103.374 -173.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 1.536 ' C ' ' CA ' ' A' ' 27' ' ' CYS . 13.3 p -115.87 145.26 34.35 Favored Pre-proline 1 CA--C 1.756 8.881 0 O-C-N 118.004 -2.935 . . . . 0.0 115.224 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -85.62 72.03 4.38 Favored 'Trans proline' 1 N--CA 1.594 7.427 0 C-N-CA 123.029 2.486 . . . . 0.0 116.643 -161.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.414 . . 69.6 56.91 0.34 Allowed 'General case' 0 CA--C 1.575 1.907 0 O-C-N 116.426 -3.922 . . . . 0.0 111.871 -175.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' A' ' 5' ' ' GLU 0.411 42.3 t -91.09 -6.58 53.54 Favored 'General case' 1 N--CA 1.571 5.582 0 O-C-N 116.72 -3.738 . . . . 0.0 114.236 175.709 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.6 tmm? -63.76 -43.83 95.24 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 129.365 3.066 . . . . 0.0 112.06 175.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -53.11 -42.45 65.99 Favored 'General case' 0 C--N 1.403 2.925 0 O-C-N 126.511 2.382 . . . . 0.0 113.454 168.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.574 ' O ' ' HD2' ' A' ' 37' ' ' PRO . . . -55.65 -35.74 66.29 Favored 'General case' 0 N--CA 1.498 1.933 2 O-C-N 110.044 -7.91 . . . . 0.0 120.416 169.346 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.255 22.5 m -63.35 -39.4 94.43 Favored 'General case' 0 N--CA 1.53 3.531 0 C-N-CA 124.074 0.95 . . . . 0.0 112.31 168.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mp -59.79 -43.99 94.16 Favored 'General case' 0 C--N 1.383 2.03 1 CA-C-O 110.488 -4.577 . . . . 0.0 111.028 178.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -69.45 -42.06 19.12 Favored Pre-proline 1 CA--C 1.643 4.548 1 CA-C-N 131.366 6.439 . . . . 0.0 115.576 174.282 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.574 ' HD2' ' O ' ' A' ' 33' ' ' ALA . 2.5 Cg_endo -70.72 -10.86 28.65 Favored 'Trans proline' 2 CA--C 1.705 9.05 0 CA-C-N 127.149 3.589 . . . . 0.0 118.588 169.19 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.453 11.9 pt-20 . . . . . 1 C--O 1.309 4.207 2 O-C-N 137.888 9.492 . . . . 0.0 113.696 162.113 . . . . . . . . 3 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.396 14.1 p-90 . . . . . 1 CA--C 1.683 6.083 0 CA-C-O 112.84 -3.457 . . . . 0.0 111.438 . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -63.1 -50.39 70.71 Favored 'General case' 0 C--N 1.263 -3.174 0 CA-C-N 123.12 2.691 . . . . 0.0 111.903 169.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 tp -62.99 -14.69 14.36 Favored 'Isoleucine or valine' 1 CA--C 1.656 5.039 0 CA-C-N 110.953 -2.839 . . . . 0.0 107.077 171.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.0 t -82.25 -62.39 1.64 Allowed 'General case' 2 C--O 1.317 4.617 1 O-C-N 115.004 -4.81 . . . . 0.0 113.418 172.033 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.507 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.334 10.0 pt-20 -57.79 -51.97 67.37 Favored 'General case' 0 N--CA 1.537 3.89 0 O-C-N 126.068 2.105 . . . . 0.0 107.958 -163.477 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.524 4.9 tp10 -74.62 -55.57 2.58 Favored Pre-proline 0 N--CA 1.534 3.763 2 O-C-N 113.382 -5.824 . . . . 0.0 117.235 -173.56 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -69.61 -65.07 0.04 OUTLIER 'Trans proline' 1 N--CA 1.596 7.55 0 N-CA-C 118.916 2.622 . . . . 0.0 118.916 176.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.295 0.3 OUTLIER -53.9 -55.0 30.91 Favored 'General case' 0 C--N 1.403 2.93 0 N-CA-C 119.271 3.063 . . . . 0.0 119.271 179.026 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.2 m -71.39 -34.78 70.7 Favored 'General case' 0 C--O 1.301 3.782 1 O-C-N 130.028 4.58 . . . . 0.0 110.375 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.3 ttt-85 -58.21 -34.47 70.43 Favored 'General case' 0 C--N 1.396 2.602 2 O-C-N 112.557 -6.339 . . . . 0.0 111.548 171.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -71.01 -36.25 72.35 Favored 'General case' 1 N--CA 1.552 4.675 0 CA-C-O 116.309 -1.805 . . . . 0.0 107.296 174.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.461 0.2 OUTLIER -56.29 -34.54 66.56 Favored 'General case' 0 C--O 1.274 2.376 0 CA-C-O 113.252 -3.261 . . . . 0.0 114.908 167.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -61.92 -24.12 66.77 Favored 'General case' 0 N--CA 1.524 3.271 1 CA-C-N 126.684 4.311 . . . . 0.0 117.204 163.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -69.44 -29.74 67.52 Favored 'General case' 0 C--O 1.288 3.102 0 O-C-N 119.432 -2.042 . . . . 0.0 109.147 165.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.341 19.3 m170 -55.76 -30.93 62.06 Favored 'General case' 0 C--N 1.413 3.363 0 CA-C-N 122.539 2.427 . . . . 0.0 116.831 160.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.332 2.3 tt -47.58 -31.1 1.85 Allowed Pre-proline 1 C--N 1.433 4.239 0 C-N-CA 127.477 2.311 . . . . 0.0 113.092 -177.208 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -73.19 -38.67 2.58 Favored 'Trans proline' 0 CA--C 1.498 -1.315 1 C-N-CA 129.432 6.755 . . . . 0.0 115.531 161.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.455 HD12 ' H ' ' A' ' 20' ' ' PHE . 3.1 pp -69.26 -38.09 78.26 Favored 'General case' 2 CA--C 1.695 6.536 1 CA-C-N 126.245 4.112 . . . . 0.0 105.569 176.472 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.281 0.0 OUTLIER 61.21 24.06 14.2 Favored 'General case' 0 CA--C 1.623 3.78 0 C-N-CA 128.999 2.92 . . . . 0.0 113.644 168.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.455 ' H ' HD12 ' A' ' 18' ' ' LEU 0.445 1.4 p90 -95.84 -16.34 21.91 Favored 'General case' 1 N--CA 1.578 5.972 0 N-CA-C 121.057 3.725 . . . . 0.0 121.057 171.429 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.309 28.6 t -109.92 48.07 0.91 Allowed 'General case' 0 N--CA 1.518 2.969 0 N-CA-C 120.018 3.34 . . . . 0.0 120.018 169.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.276 0.0 OUTLIER -50.37 -51.0 49.81 Favored 'General case' 1 C--N 1.463 5.527 0 CA-C-N 110.71 -2.95 . . . . 0.0 110.853 177.574 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -81.32 -70.08 0.56 Allowed 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 108.677 -3.874 . . . . 0.0 103.633 173.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.03 120.16 0.02 OUTLIER Glycine 1 CA--C 1.614 6.262 2 CA-C-O 111.499 -5.056 . . . . 0.0 114.305 -165.345 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -101.84 55.81 0.03 OUTLIER 'Trans proline' 0 N--CA 1.528 3.526 1 CA-C-N 132.276 8.038 . . . . 0.0 112.084 -176.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mp -115.53 -60.9 1.82 Allowed 'General case' 0 CA--C 1.595 2.675 0 CA-C-O 123.572 1.653 . . . . 0.0 111.797 174.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.0 p -119.56 117.64 32.69 Favored Pre-proline 1 N--CA 1.593 6.689 0 CA-C-N 111.11 -2.768 . . . . 0.0 114.804 -177.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -58.58 75.12 0.04 OUTLIER 'Trans proline' 2 C--N 1.49 8.011 2 C-N-CA 129.462 6.775 . . . . 0.0 125.715 -172.936 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 1.544 ' C ' ' CA ' ' A' ' 29' ' ' ALA 0.409 . . 62.06 57.14 2.13 Favored 'General case' 2 CA--C 1.741 8.318 0 CA-C-O 124.212 1.958 . . . . 0.0 111.655 -175.539 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.507 ' SG ' ' HB3' ' A' ' 5' ' ' GLU 0.374 19.4 t -94.73 -2.16 51.63 Favored 'General case' 1 N--CA 1.54 4.054 0 O-C-N 118.992 -2.317 . . . . 0.0 111.885 176.85 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.264 4.9 tmm? -68.64 -37.56 79.78 Favored 'General case' 0 C--N 1.421 3.716 0 O-C-N 118.384 -2.698 . . . . 0.0 113.265 176.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -63.08 -30.98 72.02 Favored 'General case' 1 CA--C 1.7 6.741 0 O-C-N 128.081 3.363 . . . . 0.0 108.643 176.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.65 -30.09 67.7 Favored 'General case' 1 N--CA 1.607 7.388 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 174.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.257 6.6 m -68.92 -36.12 77.63 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 169.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mp -65.75 -31.31 72.22 Favored 'General case' 0 N--CA 1.502 2.149 1 CA-C-O 109.847 -4.882 . . . . 0.0 114.512 177.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -70.82 -46.57 16.29 Favored Pre-proline 2 CA--C 1.67 5.567 0 CA-C-N 125.716 3.871 . . . . 0.0 119.827 163.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -67.72 -9.01 24.09 Favored 'Trans proline' 0 CA--C 1.469 -2.729 1 N-CA-C 125.231 5.05 . . . . 0.0 125.231 167.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.387 9.4 pt-20 . . . . . 0 CA--C 1.601 2.907 0 O-C-N 120.111 -1.618 . . . . 0.0 114.022 156.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 8.2 p-90 . . . . . 1 N--CA 1.558 4.951 1 N-CA-C 121.854 4.02 . . . . 0.0 121.854 . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.28 4.7 mp -75.48 -52.66 10.15 Favored 'General case' 0 N--CA 1.507 2.39 1 O-C-N 113.001 -6.062 . . . . 0.0 108.487 164.219 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.389 10.0 tp -53.41 -18.57 1.84 Allowed 'Isoleucine or valine' 2 N--CA 1.548 4.446 0 C-N-CA 115.016 -2.674 . . . . 0.0 116.121 167.195 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 t -73.52 -71.0 0.34 Allowed 'General case' 0 C--N 1.25 -3.731 0 CA-C-O 126.201 2.905 . . . . 0.0 116.961 167.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.553 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.424 9.1 pt-20 -48.65 -60.25 2.87 Favored 'General case' 1 N--CA 1.548 4.451 0 CA-C-N 109.969 -3.287 . . . . 0.0 112.714 -168.686 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.604 4.6 tp10 -65.05 -59.66 9.6 Favored Pre-proline 1 N--CA 1.561 5.11 2 O-C-N 114.712 -4.992 . . . . 0.0 113.816 -172.412 . . . . . . . . 4 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -77.19 -64.01 0.03 OUTLIER 'Trans proline' 0 CA--C 1.591 3.355 1 C-N-CA 126.292 4.661 . . . . 0.0 111.463 -174.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.261 0.2 OUTLIER -56.74 -48.98 76.58 Favored 'General case' 0 N--CA 1.511 2.599 1 N-CA-C 122.239 4.162 . . . . 0.0 122.239 -176.96 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.462 19.7 m -67.87 -40.09 83.66 Favored 'General case' 0 C--O 1.193 -1.909 1 C-N-CA 133.239 4.616 . . . . 0.0 115.102 172.832 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.4 ttt-85 -60.16 -45.6 92.54 Favored 'General case' 0 C--N 1.424 3.815 0 C-N-CA 117.365 -1.734 . . . . 0.0 110.215 168.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -61.09 -38.32 85.87 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 121.777 2.08 . . . . 0.0 109.418 171.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.472 0.2 OUTLIER -54.1 -38.02 64.92 Favored 'General case' 2 N--CA 1.568 5.469 0 CA-C-O 115.083 -2.389 . . . . 0.0 114.522 168.956 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.328 1.3 m -56.92 -42.94 80.87 Favored 'General case' 0 N--CA 1.529 3.495 0 O-C-N 124.89 1.369 . . . . 0.0 113.668 170.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.465 2.9 mtt180 -45.83 -40.51 9.89 Favored 'General case' 1 N--CA 1.556 4.841 0 C-N-CA 112.43 -3.708 . . . . 0.0 117.037 160.179 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -61.45 -24.34 66.49 Favored 'General case' 0 CA--C 1.624 3.821 1 O-C-N 130.739 5.024 . . . . 0.0 114.847 173.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.4 2.9 tt -47.21 -38.09 12.93 Favored Pre-proline 1 C--N 1.45 4.955 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -176.878 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.26 -39.69 22.05 Favored 'Trans proline' 1 CA--C 1.608 4.176 0 N-CA-C 119.412 2.812 . . . . 0.0 119.412 165.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.328 2.9 pp -63.24 -36.29 83.18 Favored 'General case' 1 CA--C 1.696 6.573 0 O-C-N 116.864 -3.648 . . . . 0.0 109.653 168.029 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 46.47 37.88 4.81 Favored 'General case' 0 C--O 1.266 1.963 0 N-CA-C 120.266 3.432 . . . . 0.0 120.266 177.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.466 4.0 p90 -104.52 -22.51 13.27 Favored 'General case' 1 N--CA 1.643 9.19 0 CA-C-O 114.439 -2.696 . . . . 0.0 113.318 173.67 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.508 13.5 t -100.14 43.7 1.05 Allowed 'General case' 0 C--O 1.302 3.82 0 O-C-N 128.64 3.713 . . . . 0.0 120.19 169.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.328 0.0 OUTLIER -51.71 -61.15 2.43 Favored 'General case' 1 CA--C 1.651 4.852 0 CA-C-N 109.599 -3.455 . . . . 0.0 109.945 -179.475 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.339 46.0 p -64.18 -61.97 1.92 Allowed 'General case' 0 C--N 1.377 1.769 2 O-C-N 134.471 7.357 . . . . 0.0 114.617 162.586 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.92 128.09 0.02 OUTLIER Glycine 1 CA--C 1.658 9.025 0 CA-C-O 114.948 -3.14 . . . . 0.0 107.971 -173.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -112.81 57.16 0.0 OUTLIER 'Trans proline' 2 N--CA 1.63 9.552 2 CA-C-N 130.155 6.978 . . . . 0.0 108.781 176.62 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.72 -61.94 1.67 Allowed 'General case' 2 CA--C 1.663 5.313 0 O-C-N 126.154 2.159 . . . . 0.0 110.037 167.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . 0.318 1.6 p -115.49 110.61 44.74 Favored Pre-proline 0 N--CA 1.529 3.514 0 O-C-N 128.642 3.714 . . . . 0.0 115.631 -175.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER -56.65 82.86 0.04 OUTLIER 'Trans proline' 2 N--CA 1.548 4.699 1 N-CA-C 131.19 7.342 . . . . 0.0 131.19 -176.106 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 1.512 ' C ' ' CA ' ' A' ' 29' ' ' ALA . . . 48.78 65.96 1.22 Allowed 'General case' 1 CA--C 1.77 9.439 0 O-C-N 128.909 3.881 . . . . 0.0 112.004 -168.705 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.572 ' N ' ' CA ' ' A' ' 29' ' ' ALA . 5.2 t -86.27 -11.68 51.62 Favored 'General case' 0 N--CA 1.527 3.395 0 C-N-CA 130.265 3.426 . . . . 0.0 109.731 172.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.309 5.0 tmm? -79.64 -28.37 40.86 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 126.131 2.144 . . . . 0.0 113.244 -175.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.326 8.0 pttt -62.65 -29.05 70.34 Favored 'General case' 1 CA--C 1.665 5.368 0 C-N-CA 125.52 1.528 . . . . 0.0 114.308 166.714 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.24 -34.17 65.72 Favored 'General case' 1 CA--C 1.691 6.396 1 O-C-N 130.346 4.779 . . . . 0.0 114.262 175.259 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.366 1.3 m -59.24 -46.04 89.55 Favored 'General case' 0 CA--C 1.627 3.937 0 CA-C-O 125.68 2.657 . . . . 0.0 113.302 169.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.682 ' C ' ' CA ' ' A' ' 36' ' ' GLN . 6.5 mp -55.39 -37.72 67.96 Favored 'General case' 0 C--O 1.292 3.329 0 N-CA-C 119.183 3.031 . . . . 0.0 119.183 174.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 1.532 ' CA ' ' N ' ' A' ' 36' ' ' GLN . 58.0 mt-30 -64.62 -68.23 0.84 Allowed Pre-proline 2 N--CA 1.676 10.863 0 C-N-CA 116.783 -1.967 . . . . 0.0 114.103 165.004 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -50.48 -18.5 3.8 Favored 'Trans proline' 0 C--N 1.388 2.611 2 C-N-CA 128.686 6.257 . . . . 0.0 116.582 176.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.353 13.0 pt-20 . . . . . 0 C--O 1.303 3.912 1 CA-C-O 130.141 4.781 . . . . 0.0 110.054 161.284 . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 . . . . . 1 CA--C 1.629 4.018 0 N-CA-C 120.673 3.583 . . . . 0.0 120.673 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mp -89.85 -45.1 9.49 Favored 'General case' 0 N--CA 1.52 3.048 0 O-C-N 116.427 -3.921 . . . . 0.0 101.121 173.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.441 9.8 tp -52.63 -21.5 2.91 Favored 'Isoleucine or valine' 1 C--N 1.434 4.267 1 O-C-N 116.203 -4.061 . . . . 0.0 120.985 162.177 . . . . . . . . 4 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -77.88 -59.56 2.73 Favored 'General case' 0 C--N 1.396 2.599 0 N-CA-C 120.457 3.503 . . . . 0.0 120.457 163.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.486 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.358 11.5 pt-20 -50.8 -63.99 0.95 Allowed 'General case' 0 C--N 1.259 -3.367 0 CA-C-N 123.414 2.825 . . . . 0.0 117.878 -170.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -68.99 -55.67 10.16 Favored Pre-proline 2 CA--C 1.692 6.43 1 CA-C-O 109.205 -5.188 . . . . 0.0 113.536 -176.306 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -71.14 -56.82 0.11 Allowed 'Trans proline' 0 CA--C 1.559 1.733 0 O-C-N 126.163 2.665 . . . . 0.0 114.418 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -69.85 -45.86 66.85 Favored 'General case' 1 CA--C 1.721 7.556 0 C-N-CA 125.785 1.634 . . . . 0.0 114.502 -162.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.377 5.5 m -73.01 -37.41 66.97 Favored 'General case' 2 N--CA 1.585 6.297 3 O-C-N 134.004 7.065 . . . . 0.0 114.907 171.288 . . . . . . . . 4 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -55.94 -52.27 64.72 Favored 'General case' 1 N--CA 1.575 5.821 0 N-CA-C 117.383 2.364 . . . . 0.0 117.383 159.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -55.84 -36.87 68.0 Favored 'General case' 0 CA--C 1.605 3.058 0 CA-C-N 119.779 1.172 . . . . 0.0 113.807 162.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.367 0.6 OUTLIER -58.02 -33.69 69.22 Favored 'General case' 2 N--CA 1.595 6.786 1 O-C-N 116.249 -4.032 . . . . 0.0 117.548 166.601 . . . . . . . . 5 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.2 m -63.15 -34.21 77.13 Favored 'General case' 1 CA--C 1.673 5.701 1 O-C-N 116.222 -4.049 . . . . 0.0 113.345 174.051 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.259 1.3 mtt180 -55.54 -29.18 58.47 Favored 'General case' 0 N--CA 1.404 -2.766 0 C-N-CA 117.273 -1.771 . . . . 0.0 115.184 159.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.356 19.0 m170 -66.16 -27.89 68.36 Favored 'General case' 1 CA--C 1.651 4.836 0 CA-C-O 114.956 -2.449 . . . . 0.0 110.132 169.843 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.264 0.7 OUTLIER -48.98 -35.43 10.15 Favored Pre-proline 2 N--CA 1.566 5.368 0 CA-C-O 113.056 -3.354 . . . . 0.0 108.504 -172.233 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.58 -33.6 13.24 Favored 'Trans proline' 1 CA--C 1.714 9.5 1 C-N-CA 130.151 7.234 . . . . 0.0 117.44 170.444 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.458 2.6 pp -67.57 -40.36 84.89 Favored 'General case' 0 N--CA 1.524 3.253 0 CA-C-O 114.409 -2.71 . . . . 0.0 110.764 158.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 42.14 41.7 2.15 Favored 'General case' 1 N--CA 1.597 6.897 1 N-CA-C 123.177 4.51 . . . . 0.0 123.177 -177.089 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -111.04 -18.04 13.13 Favored 'General case' 1 C--N 1.445 4.751 0 O-C-N 120.598 -1.314 . . . . 0.0 113.498 174.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 t -112.86 55.02 0.7 Allowed 'General case' 1 CA--C 1.647 4.687 1 CA-C-O 131.707 5.527 . . . . 0.0 108.951 174.23 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.301 0.0 OUTLIER -56.82 -66.81 0.38 Allowed 'General case' 0 C--O 1.273 2.328 0 CA-C-N 108.504 -3.953 . . . . 0.0 107.003 171.545 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -57.85 -63.39 1.27 Allowed 'General case' 0 C--N 1.426 3.913 0 CA-C-O 114.565 -2.636 . . . . 0.0 114.073 163.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.88 118.33 0.01 OUTLIER Glycine 2 CA--C 1.676 10.124 0 CA-C-O 114.73 -3.261 . . . . 0.0 110.592 -172.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -99.87 51.8 0.05 OUTLIER 'Trans proline' 1 N--CA 1.63 9.549 1 CA-C-N 124.397 4.098 . . . . 0.0 117.478 177.13 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp -106.8 -76.24 0.62 Allowed 'General case' 1 CA--C 1.678 5.873 0 CA-C-O 127.51 3.529 . . . . 0.0 109.186 175.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . 0.345 1.3 p -111.45 131.39 22.32 Favored Pre-proline 1 C--N 1.509 7.541 1 CA-C-N 108.1 -4.136 . . . . 0.0 111.009 -176.237 . . . . . . . . 4 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -80.27 79.82 3.22 Favored 'Trans proline' 1 CA--C 1.672 7.407 0 N-CA-C 121.149 3.48 . . . . 0.0 121.149 -168.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 55.35 60.69 3.24 Favored 'General case' 1 CA--C 1.694 6.493 1 C-N-CA 133.393 4.677 . . . . 0.0 110.15 -171.678 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.486 ' SG ' ' HB3' ' A' ' 5' ' ' GLU 0.255 4.2 t -78.63 -5.77 53.84 Favored 'General case' 0 C--O 1.179 -2.649 0 N-CA-C 121.472 3.879 . . . . 0.0 121.472 165.382 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 tmm? -77.16 -37.53 53.69 Favored 'General case' 0 CA--C 1.595 2.692 0 C-N-CA 129.859 3.263 . . . . 0.0 110.5 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.271 16.0 pttt -55.41 -38.86 69.49 Favored 'General case' 1 N--CA 1.557 4.913 0 O-C-N 118.735 -2.478 . . . . 0.0 116.493 162.359 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.344 . . -60.41 -36.35 77.93 Favored 'General case' 0 C--N 1.4 2.762 1 N-CA-C 123.316 4.562 . . . . 0.0 123.316 169.709 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -63.51 -40.25 96.56 Favored 'General case' 1 N--CA 1.553 4.7 1 O-C-N 114.498 -5.126 . . . . 0.0 113.084 166.867 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.289 4.5 mp -47.33 -40.71 17.8 Favored 'General case' 0 C--O 1.266 1.932 0 C-N-CA 128.893 2.877 . . . . 0.0 117.004 169.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -72.93 -57.69 2.92 Favored Pre-proline 1 CA--C 1.685 6.159 0 N-CA-C 120.56 3.541 . . . . 0.0 120.56 171.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -59.11 -13.14 18.07 Favored 'Trans proline' 1 N--CA 1.554 5.046 0 C-N-CA 123.332 2.688 . . . . 0.0 113.168 170.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 34' ' ' THR . 11.2 pt-20 . . . . . 1 CA--C 1.66 5.21 0 CA-C-N 124.542 3.337 . . . . 0.0 105.992 161.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.413 33.0 p-90 . . . . . 0 CA--C 1.601 2.92 1 N-CA-C 125.551 5.389 . . . . 0.0 125.551 . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.272 4.7 mp -76.93 -45.16 28.83 Favored 'General case' 1 CA--C 1.693 6.47 1 CA-C-N 108.383 -4.008 . . . . 0.0 106.879 174.641 . . . . . . . . 4 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 tp -63.14 -19.28 23.34 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.21 0 CA-C-N 122.407 2.367 . . . . 0.0 111.545 168.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.5 t -75.89 -62.12 1.7 Allowed 'General case' 0 C--O 1.197 -1.681 0 CA-C-O 115.999 -1.953 . . . . 0.0 115.479 166.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.344 10.5 pt-20 -51.39 -61.53 2.19 Favored 'General case' 0 N--CA 1.524 3.272 0 N-CA-C 120.85 3.648 . . . . 0.0 120.85 -168.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.445 ' HA ' HG23 ' A' ' 34' ' ' THR . 4.9 tp10 -66.32 -54.91 22.29 Favored Pre-proline 0 N--CA 1.392 -3.368 0 N-CA-C 119.642 3.201 . . . . 0.0 119.642 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.312 87.9 Cg_endo -70.02 -56.9 0.12 Allowed 'Trans proline' 0 C--N 1.381 2.282 2 O-C-N 110.43 -5.616 . . . . 0.0 115.988 174.25 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 m -68.94 -49.65 56.21 Favored 'General case' 1 N--CA 1.543 4.21 0 CA-C-O 126.224 2.916 . . . . 0.0 114.291 -162.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.514 3.9 m -58.34 -47.55 83.4 Favored 'General case' 1 C--N 1.436 4.335 0 C-N-CA 129.127 2.971 . . . . 0.0 118.519 171.367 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.254 11.7 ttt-85 -51.94 -48.3 64.32 Favored 'General case' 1 CA--C 1.633 4.16 0 N-CA-C 121.642 3.942 . . . . 0.0 121.642 163.156 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.276 14.0 m-80 -56.26 -39.64 72.94 Favored 'General case' 1 CA--C 1.681 5.982 0 CA-C-O 114.183 -2.817 . . . . 0.0 109.46 153.991 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.523 0.5 OUTLIER -54.55 -36.16 64.01 Favored 'General case' 1 CA--C 1.642 4.486 2 CA-C-N 130.994 6.27 . . . . 0.0 117.58 172.737 . . . . . . . . 5 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -57.81 -35.11 70.39 Favored 'General case' 1 N--CA 1.548 4.436 0 CA-C-O 127.225 3.393 . . . . 0.0 118.229 170.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' O ' ' HD2' ' A' ' 17' ' ' PRO . 2.3 mtt180 -63.06 -35.47 80.35 Favored 'General case' 1 N--CA 1.592 6.644 0 CA-C-N 110.899 -2.864 . . . . 0.0 106.729 166.517 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.344 12.1 m170 -57.69 -32.79 67.69 Favored 'General case' 2 N--CA 1.608 7.459 1 O-C-N 115.976 -4.202 . . . . 0.0 113.608 165.226 . . . . . . . . 4 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.258 0.6 OUTLIER -44.31 -33.12 1.06 Allowed Pre-proline 1 CA--C 1.649 4.751 2 O-C-N 113.687 -5.633 . . . . 0.0 110.956 -173.329 . . . . . . . . 5 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 14' ' ' ARG . 89.4 Cg_endo -69.81 -33.6 16.09 Favored 'Trans proline' 1 N--CA 1.541 4.267 1 C-N-CA 133.026 9.151 . . . . 0.0 119.836 166.966 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.59 1.4 pp -69.84 -43.99 70.84 Favored 'General case' 1 N--CA 1.56 5.029 0 CA-C-N 111.48 -2.6 . . . . 0.0 110.185 160.239 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.266 0.0 OUTLIER 47.78 35.01 4.23 Favored 'General case' 0 CA--C 1.625 3.852 0 N-CA-C 121.366 3.839 . . . . 0.0 121.366 178.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -107.62 -19.88 13.41 Favored 'General case' 0 C--O 1.273 2.323 0 CA-C-N 123.93 3.059 . . . . 0.0 117.036 171.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 t -113.95 62.75 0.66 Allowed 'General case' 0 CA--C 1.628 3.948 0 CA-C-O 128.395 3.95 . . . . 0.0 105.991 169.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.374 0.0 OUTLIER -59.77 -61.16 2.82 Favored 'General case' 0 CA--C 1.556 1.19 1 O-C-N 114.043 -5.411 . . . . 0.0 111.463 161.687 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -69.76 -69.14 0.36 Allowed 'General case' 1 N--CA 1.548 4.43 0 O-C-N 128.861 3.851 . . . . 0.0 106.908 167.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.35 112.55 0.01 OUTLIER Glycine 0 C--N 1.388 3.445 0 CA-C-N 125.081 3.582 . . . . 0.0 117.35 -161.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.276 3.6 Cg_endo -82.38 45.89 2.05 Favored 'Trans proline' 1 CA--C 1.727 10.134 1 N-CA-C 123.515 4.39 . . . . 0.0 123.515 -179.783 . . . . . . . . 4 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -115.95 -71.16 0.75 Allowed 'General case' 0 CA--C 1.622 3.717 0 C-N-CA 130.133 3.373 . . . . 0.0 110.963 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.498 ' SG ' ' CB ' ' A' ' 30' ' ' CYS . 1.3 p -116.4 142.23 29.15 Favored Pre-proline 0 N--CA 1.52 3.07 1 N-CA-C 98.695 -4.557 . . . . 0.0 98.695 -173.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.298 89.7 Cg_endo -101.42 72.42 0.04 OUTLIER 'Trans proline' 2 CA--C 1.696 8.587 0 O-C-N 117.046 -2.134 . . . . 0.0 109.226 -158.647 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.604 . . 79.19 44.6 0.06 Allowed 'General case' 0 C--N 1.403 2.901 0 O-C-N 116.355 -3.966 . . . . 0.0 115.035 -176.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.498 ' CB ' ' SG ' ' A' ' 27' ' ' CYS 0.361 4.8 t -83.18 -3.99 57.94 Favored 'General case' 0 CA--C 1.613 3.377 0 N-CA-C 119.46 3.133 . . . . 0.0 119.46 174.604 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -76.46 -37.64 56.62 Favored 'General case' 2 N--CA 1.605 7.312 0 C-N-CA 130.455 3.502 . . . . 0.0 105.831 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.282 12.8 pttt -57.89 -43.91 86.38 Favored 'General case' 1 N--CA 1.558 4.939 0 CA-C-O 114.78 -2.533 . . . . 0.0 113.182 165.555 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.24 69.4 Favored 'General case' 1 N--CA 1.592 6.656 0 CA-C-O 112.755 -3.498 . . . . 0.0 117.303 169.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.445 HG23 ' HA ' ' A' ' 6' ' ' GLU . 1.6 m -72.94 -38.76 66.67 Favored 'General case' 2 N--CA 1.625 8.281 0 CA-C-N 124.354 3.252 . . . . 0.0 109.826 166.347 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.254 7.1 mp -44.24 -32.05 1.17 Allowed 'General case' 1 N--CA 1.561 5.094 0 CA-C-O 113.962 -2.923 . . . . 0.0 116.663 168.275 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -78.72 -57.0 0.86 Allowed Pre-proline 0 CA--C 1.599 2.853 0 N-CA-C 121.738 3.977 . . . . 0.0 121.738 171.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 1.518 ' CA ' ' CB ' ' A' ' 37' ' ' PRO 0.394 37.3 Cg_endo -59.85 -16.46 38.14 Favored 'Trans proline' 1 C--N 1.452 5.974 1 C-N-CA 128.536 6.157 . . . . 0.0 113.941 167.793 . . . . . . . . 5 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.483 11.0 pt-20 . . . . . 2 C--N 1.486 6.521 0 CA-C-N 122.275 2.307 . . . . 0.0 104.935 165.635 . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 . . . . . 0 CA--C 1.617 3.557 1 CA-C-O 110.903 -4.38 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.566 HD12 ' H ' ' A' ' 2' ' ' LEU 0.333 2.4 mp -63.88 -50.17 69.83 Favored 'General case' 0 C--N 1.391 2.411 1 O-C-N 130.006 4.566 . . . . 0.0 114.264 162.309 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.507 9.8 tp -50.32 -30.95 7.87 Favored 'Isoleucine or valine' 0 C--O 1.303 3.886 1 N-CA-C 125.944 5.535 . . . . 0.0 125.944 170.722 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -66.38 -60.69 2.52 Favored 'General case' 1 CA--C 1.655 4.986 0 CA-C-N 108.596 -3.911 . . . . 0.0 116.503 168.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.514 3.4 pt-20 -49.09 -58.69 4.54 Favored 'General case' 0 CA--C 1.589 2.446 0 N-CA-C 121.138 3.755 . . . . 0.0 121.138 -168.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -69.17 -58.28 6.38 Favored Pre-proline 0 N--CA 1.534 3.757 1 CA-C-O 108.489 -5.529 . . . . 0.0 114.158 175.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.37 0.7 OUTLIER -75.76 -57.56 0.05 OUTLIER 'Trans proline' 1 CA--C 1.625 5.054 0 CA-C-N 125.286 2.924 . . . . 0.0 118.517 -179.73 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.294 0.8 OUTLIER -52.82 -57.99 8.39 Favored 'General case' 1 C--N 1.444 4.71 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -177.587 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.0 m -77.2 -36.94 54.43 Favored 'General case' 2 C--N 1.228 -4.699 0 C-N-CA 127.435 2.294 . . . . 0.0 108.579 -168.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -54.57 -38.54 66.81 Favored 'General case' 2 N--CA 1.553 4.686 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 167.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -61.41 -40.6 95.01 Favored 'General case' 2 CA--C 1.665 5.367 0 CA-C-O 116.729 -1.605 . . . . 0.0 109.529 164.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.564 0.6 OUTLIER -63.63 -33.92 76.68 Favored 'General case' 1 N--CA 1.646 9.375 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 175.512 . . . . . . . . 5 4 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -60.52 -32.7 71.71 Favored 'General case' 2 C--N 1.437 4.412 1 CA-C-O 111.232 -4.223 . . . . 0.0 118.488 169.514 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.9 -34.68 75.04 Favored 'General case' 1 CA--C 1.641 4.458 2 O-C-N 131.906 5.754 . . . . 0.0 114.651 158.319 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.38 45.1 m170 -55.03 -34.63 63.67 Favored 'General case' 1 CA--C 1.721 7.537 1 O-C-N 132.574 6.171 . . . . 0.0 111.8 166.033 . . . . . . . . 5 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.53 ' CG ' ' CD2' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -43.54 -36.12 1.98 Allowed Pre-proline 1 N--CA 1.549 4.522 0 CA-C-O 113.045 -3.359 . . . . 0.0 118.362 -178.933 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -57.95 -42.27 60.08 Favored 'Trans proline' 2 N--CA 1.572 6.097 1 C-N-CA 132.103 8.535 . . . . 0.0 111.79 164.179 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 15' ' ' HIS . 1.7 pp -71.99 -48.79 42.36 Favored 'General case' 0 N--CA 1.526 3.373 0 CA-C-O 116.772 -1.585 . . . . 0.0 109.923 168.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.01 38.71 10.79 Favored 'General case' 1 N--CA 1.542 4.129 0 CA-C-N 122.615 2.462 . . . . 0.0 110.061 164.87 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -106.31 -31.16 8.74 Favored 'General case' 1 N--CA 1.557 4.885 0 CA-C-N 122.911 2.596 . . . . 0.0 117.868 161.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' A' ' 21' ' ' SER . 2.0 t -90.91 43.78 1.16 Allowed 'General case' 0 CA--C 1.49 -1.36 0 O-C-N 126.867 2.605 . . . . 0.0 116.074 165.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.426 0.0 OUTLIER -45.26 -56.98 4.3 Favored 'General case' 1 CA--C 1.633 4.157 0 CA-C-O 124.908 2.29 . . . . 0.0 108.624 172.326 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.5 p -68.79 -69.65 0.32 Allowed 'General case' 1 N--CA 1.558 4.945 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 170.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.88 126.83 0.1 OUTLIER Glycine 0 CA--C 1.573 3.66 1 CA-C-O 112.182 -4.677 . . . . 0.0 111.633 -174.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.38 0.0 OUTLIER -93.04 53.94 0.45 Allowed 'Trans proline' 1 N--CA 1.553 5.023 2 CA-C-N 126.755 5.278 . . . . 0.0 117.085 176.506 . . . . . . . . 5 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.312 7.0 mp -127.66 -52.34 1.36 Allowed 'General case' 1 N--CA 1.557 4.911 1 O-C-N 116.183 -4.073 . . . . 0.0 109.348 -179.877 . . . . . . . . 4 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.613 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 1.7 p -139.36 122.25 10.51 Favored Pre-proline 0 C--O 1.189 -2.112 1 O-C-N 115.983 -4.198 . . . . 0.0 100.513 -168.192 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -84.09 68.56 6.62 Favored 'Trans proline' 1 CA--C 1.429 -4.754 0 N-CA-C 119.139 2.707 . . . . 0.0 119.139 -162.267 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.31 70.83 0.26 Allowed 'General case' 1 CA--C 1.662 5.274 0 O-C-N 126.521 2.388 . . . . 0.0 115.409 -173.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.613 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 5.6 t -99.14 -17.38 18.22 Favored 'General case' 1 CA--C 1.697 6.61 1 CA-C-N 106.165 -5.016 . . . . 0.0 111.047 179.313 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -35.29 76.95 Favored 'General case' 0 C--N 1.426 3.926 0 N-CA-C 120.413 3.486 . . . . 0.0 120.413 168.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -74.09 -35.41 64.19 Favored 'General case' 1 CA--C 1.709 7.073 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.6 171.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.14 -31.77 69.26 Favored 'General case' 0 N--CA 1.519 2.995 0 CA-C-O 112.63 -3.557 . . . . 0.0 120.196 163.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 m -61.2 -39.78 91.5 Favored 'General case' 1 CA--C 1.652 4.866 0 CA-C-N 125.437 3.744 . . . . 0.0 111.293 165.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.27 -28.24 67.9 Favored 'General case' 0 CA--C 1.584 2.283 0 C-N-CA 126.823 2.049 . . . . 0.0 109.69 -171.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -72.74 -60.05 2.12 Favored Pre-proline 2 N--CA 1.589 6.517 1 CA-C-O 107.626 -5.94 . . . . 0.0 118.291 164.193 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -61.84 -13.17 29.16 Favored 'Trans proline' 0 N--CA 1.523 3.228 1 C-N-CA 126.406 4.737 . . . . 0.0 113.951 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 2 CA--C 1.697 6.616 1 CA-C-O 106.951 -6.261 . . . . 0.0 117.384 163.332 . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 4.0 p-90 . . . . . 0 CA--C 1.615 3.451 0 CA-C-O 116.171 -1.871 . . . . 0.0 107.945 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mp -83.93 -46.3 12.25 Favored 'General case' 0 CA--C 1.621 3.686 0 N-CA-C 101.223 -3.621 . . . . 0.0 101.223 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.411 9.9 tp -55.1 -34.33 31.97 Favored 'Isoleucine or valine' 2 CA--C 1.709 7.064 0 CA-C-N 123.214 2.734 . . . . 0.0 114.31 175.381 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.341 2.5 t -70.69 -56.12 7.15 Favored 'General case' 0 CA--C 1.605 3.086 2 O-C-N 132.511 6.132 . . . . 0.0 114.751 172.86 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.429 3.3 pt-20 -53.94 -60.94 2.67 Favored 'General case' 0 N--CA 1.533 3.711 0 N-CA-C 117.393 2.368 . . . . 0.0 117.393 -168.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.53 -51.38 32.39 Favored Pre-proline 0 C--N 1.4 2.775 0 CA-C-O 113.154 -3.308 . . . . 0.0 115.464 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.364 0.1 OUTLIER -80.69 -53.05 0.04 OUTLIER 'Trans proline' 1 C--N 1.453 6.038 0 N-CA-C 121.143 3.478 . . . . 0.0 121.143 173.841 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.5 m -56.92 -60.02 4.2 Favored 'General case' 1 N--CA 1.586 6.336 0 CA-C-O 128.348 3.927 . . . . 0.0 114.443 -176.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.33 6.0 m -69.14 -35.34 76.26 Favored 'General case' 0 C--O 1.288 3.114 1 O-C-N 115.742 -4.349 . . . . 0.0 115.709 -178.851 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.323 11.2 ttt-85 -50.56 -38.45 45.13 Favored 'General case' 0 C--N 1.419 3.593 0 CA-C-N 123.641 2.928 . . . . 0.0 112.799 170.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -62.73 -41.72 99.32 Favored 'General case' 1 N--CA 1.546 4.355 1 CA-C-N 108.2 -4.091 . . . . 0.0 114.398 167.495 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.358 0.1 OUTLIER -68.2 -33.57 74.68 Favored 'General case' 1 N--CA 1.602 7.164 0 CA-C-O 112.46 -3.638 . . . . 0.0 112.359 174.604 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.4 m -56.99 -38.9 73.69 Favored 'General case' 0 N--CA 1.519 3.005 1 CA-C-O 110.913 -4.375 . . . . 0.0 113.174 170.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.35 -29.17 70.27 Favored 'General case' 0 N--CA 1.506 2.345 1 O-C-N 129.459 4.224 . . . . 0.0 111.216 166.3 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.317 10.3 m170 -56.27 -32.47 64.57 Favored 'General case' 0 C--N 1.409 3.17 0 O-C-N 118.723 -2.486 . . . . 0.0 111.678 163.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.29 -38.81 16.03 Favored Pre-proline 1 CA--C 1.737 8.141 2 O-C-N 112.296 -6.502 . . . . 0.0 115.055 -175.258 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.267 22.2 Cg_endo -64.04 -27.44 65.78 Favored 'Trans proline' 0 C--N 1.285 -2.778 1 C-N-CA 127.904 5.736 . . . . 0.0 114.936 167.034 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.368 1.7 pp -74.02 -52.38 12.93 Favored 'General case' 1 N--CA 1.579 6.022 1 O-C-N 116.249 -4.032 . . . . 0.0 108.109 158.997 . . . . . . . . 4 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 64.36 39.21 7.29 Favored 'General case' 0 N--CA 1.529 3.519 0 CA-C-N 121.441 1.928 . . . . 0.0 110.721 168.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.416 47.4 p90 -109.04 -32.57 7.19 Favored 'General case' 0 N--CA 1.525 3.318 0 O-C-N 125.465 1.728 . . . . 0.0 114.004 171.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 t -96.09 51.21 1.21 Allowed 'General case' 0 N--CA 1.527 3.417 0 CA-C-O 112.698 -3.525 . . . . 0.0 104.747 171.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.439 0.0 OUTLIER -50.69 -52.41 40.37 Favored 'General case' 1 CA--C 1.644 4.595 0 CA-C-N 123.507 2.867 . . . . 0.0 110.495 167.425 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.6 p -69.45 -68.89 0.37 Allowed 'General case' 1 N--CA 1.641 9.119 0 N-CA-C 121.653 3.946 . . . . 0.0 121.653 168.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.07 133.12 0.01 OUTLIER Glycine 1 CA--C 1.594 4.989 0 CA-C-N 109.409 -3.541 . . . . 0.0 114.257 -175.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.297 2.5 Cg_endo -94.43 42.64 0.2 Allowed 'Trans proline' 0 C--N 1.406 3.568 0 CA-C-N 121.201 2.5 . . . . 0.0 114.792 -173.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.295 8.0 mp -113.57 -67.57 0.99 Allowed 'General case' 1 CA--C 1.688 6.273 1 O-C-N 115.285 -4.634 . . . . 0.0 107.966 -174.604 . . . . . . . . 4 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.613 ' SG ' ' CB ' ' A' ' 30' ' ' CYS 0.363 0.8 OUTLIER -122.15 120.71 28.16 Favored Pre-proline 1 N--CA 1.577 5.918 1 O-C-N 133.082 6.489 . . . . 0.0 103.712 -168.656 . . . . . . . . 6 4 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -84.08 79.61 2.59 Favored 'Trans proline' 0 C--O 1.284 2.798 0 C-N-CA 123.601 2.867 . . . . 0.0 113.0 -161.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.33 67.05 0.99 Allowed 'General case' 1 CA--C 1.682 6.031 0 CA-C-O 126.249 2.928 . . . . 0.0 115.067 -174.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.613 ' CB ' ' SG ' ' A' ' 27' ' ' CYS 0.402 5.4 t -91.38 -5.25 54.77 Favored 'General case' 0 C--N 1.428 3.993 1 CA-C-O 110.614 -4.517 . . . . 0.0 115.999 163.714 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -33.39 71.49 Favored 'General case' 1 N--CA 1.569 5.482 0 O-C-N 128.403 3.564 . . . . 0.0 115.696 169.325 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.314 24.7 pttt -73.92 -39.59 63.71 Favored 'General case' 1 CA--C 1.724 7.661 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 177.029 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.52 -34.15 64.41 Favored 'General case' 0 N--CA 1.532 3.66 0 N-CA-C 119.029 2.974 . . . . 0.0 119.029 168.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.8 m -58.91 -45.95 89.1 Favored 'General case' 2 N--CA 1.587 6.415 0 O-C-N 120.941 -1.099 . . . . 0.0 108.145 167.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -56.79 -40.03 75.18 Favored 'General case' 1 CA--C 1.632 4.098 0 CA-C-O 112.727 -3.511 . . . . 0.0 108.425 -168.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -58.24 -65.78 1.72 Allowed Pre-proline 0 CA--C 1.614 3.436 0 N-CA-C 120.471 3.508 . . . . 0.0 120.471 166.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -69.47 -3.19 11.32 Favored 'Trans proline' 1 C--N 1.44 5.378 1 N-CA-C 123.288 4.303 . . . . 0.0 123.288 176.646 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 CA--C 1.629 3.998 0 O-C-N 117.921 -2.987 . . . . 0.0 110.014 165.536 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.553 7.6 p-90 . . . . . 0 C--O 1.252 1.199 0 CA-C-O 126.773 3.177 . . . . 0.0 118.719 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp -93.88 -39.47 10.68 Favored 'General case' 1 N--CA 1.599 6.992 0 O-C-N 116.64 -3.787 . . . . 0.0 104.194 -173.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.0 tp -59.21 -25.94 31.95 Favored 'Isoleucine or valine' 2 N--CA 1.611 7.582 0 CA-C-N 121.417 1.917 . . . . 0.0 112.118 169.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.21 -66.82 0.49 Allowed 'General case' 0 N--CA 1.415 -2.212 0 C-N-CA 130.802 3.641 . . . . 0.0 118.878 163.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -52.4 -61.96 1.95 Allowed 'General case' 2 C--N 1.478 6.172 1 CA-C-O 109.033 -5.27 . . . . 0.0 113.183 -167.628 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.4 -55.84 32.07 Favored Pre-proline 0 N--CA 1.529 3.508 1 O-C-N 130.206 4.691 . . . . 0.0 110.077 -171.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.363 0.1 OUTLIER -79.77 -54.29 0.04 OUTLIER 'Trans proline' 1 N--CA 1.641 10.16 0 C-N-CA 125.018 3.812 . . . . 0.0 118.416 178.115 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 m -64.02 -59.4 4.52 Favored 'General case' 0 CA--C 1.629 3.998 0 CA-C-N 121.0 1.727 . . . . 0.0 112.937 -171.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -64.14 -38.22 90.29 Favored 'General case' 2 N--CA 1.573 5.706 1 CA-C-O 110.673 -4.489 . . . . 0.0 121.088 175.282 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -52.84 -32.92 47.06 Favored 'General case' 1 N--CA 1.639 8.981 1 O-C-N 133.062 6.476 . . . . 0.0 110.524 167.885 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -64.34 -47.55 78.92 Favored 'General case' 0 C--O 1.261 1.665 0 CA-C-O 112.425 -3.655 . . . . 0.0 111.67 167.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.32 0.0 OUTLIER -62.19 -31.6 72.14 Favored 'General case' 0 C--O 1.186 -2.286 1 N-CA-C 123.603 4.668 . . . . 0.0 123.603 168.39 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -55.81 -36.23 67.21 Favored 'General case' 0 C--O 1.197 -1.682 0 N-CA-C 118.495 2.776 . . . . 0.0 118.495 165.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -25.21 66.95 Favored 'General case' 1 N--CA 1.587 6.387 0 C-N-CA 127.747 2.419 . . . . 0.0 106.363 167.499 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 15.6 m170 -69.22 -27.76 65.77 Favored 'General case' 1 N--CA 1.592 6.662 0 CA-C-O 113.611 -3.09 . . . . 0.0 107.879 168.691 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.577 ' CG ' ' CB ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -51.05 -38.68 48.3 Favored Pre-proline 2 N--CA 1.548 4.454 0 CA-C-N 122.399 2.363 . . . . 0.0 117.198 -177.066 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -47.99 -44.17 28.37 Favored 'Trans proline' 1 CA--C 1.624 4.998 1 C-N-CA 126.702 4.935 . . . . 0.0 109.645 163.025 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 15' ' ' HIS . 2.8 pp -78.37 -32.27 48.86 Favored 'General case' 0 C--N 1.405 2.996 0 CA-C-N 123.044 2.656 . . . . 0.0 112.151 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 55.76 36.75 27.85 Favored 'General case' 0 C--O 1.278 2.569 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 166.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.425 ' H ' HD12 ' A' ' 18' ' ' LEU 0.355 30.1 p90 -111.32 -30.86 7.26 Favored 'General case' 0 C--O 1.268 2.062 0 CA-C-N 122.274 2.306 . . . . 0.0 108.624 179.264 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.3 t -96.67 61.31 1.89 Allowed 'General case' 0 N--CA 1.423 -1.818 1 O-C-N 115.72 -4.363 . . . . 0.0 101.975 167.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.315 0.0 OUTLIER -63.01 -38.32 90.73 Favored 'General case' 0 N--CA 1.524 3.234 0 O-C-N 118.347 -2.721 . . . . 0.0 116.094 162.576 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -81.39 -70.68 0.52 Allowed 'General case' 0 CA--C 1.605 3.087 1 O-C-N 116.226 -4.047 . . . . 0.0 117.33 168.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.82 125.98 0.07 OUTLIER Glycine 0 C--O 1.289 3.557 0 N-CA-C 122.637 3.815 . . . . 0.0 122.637 -174.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -83.4 25.94 0.67 Allowed 'Trans proline' 1 CA--C 1.662 6.89 0 CA-C-O 112.764 -3.098 . . . . 0.0 116.486 -170.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp -102.5 -71.43 0.72 Allowed 'General case' 0 N--CA 1.512 2.633 0 O-C-N 126.152 2.157 . . . . 0.0 113.883 -175.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.603 ' SG ' ' CB ' ' A' ' 30' ' ' CYS 0.446 0.6 OUTLIER -106.61 131.25 21.86 Favored Pre-proline 0 C--N 1.378 1.818 0 C-N-CA 128.521 2.728 . . . . 0.0 103.904 -177.402 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.413 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 40.8 Cg_endo -96.97 85.79 0.08 OUTLIER 'Trans proline' 1 CA--C 1.608 4.212 0 C-N-CA 113.992 -3.538 . . . . 0.0 110.552 -165.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 28' ' ' PRO . . . 59.28 57.67 3.33 Favored 'General case' 3 CA--C 1.649 4.773 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 -168.471 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.603 ' CB ' ' SG ' ' A' ' 27' ' ' CYS 0.522 6.0 t -86.86 5.35 37.24 Favored 'General case' 0 C--N 1.271 -2.804 0 CA-C-O 112.418 -3.658 . . . . 0.0 113.017 165.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -34.7 55.39 Favored 'General case' 1 N--CA 1.599 6.998 0 CA-C-N 122.422 2.374 . . . . 0.0 109.86 172.803 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.437 38.3 pttt -68.37 -38.42 81.36 Favored 'General case' 0 C--N 1.39 2.369 0 O-C-N 116.578 -3.826 . . . . 0.0 114.351 176.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.5 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.407 . . -54.91 -30.51 58.55 Favored 'General case' 0 C--O 1.261 1.693 1 O-C-N 112.639 -6.288 . . . . 0.0 119.972 167.454 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -62.04 -45.44 93.56 Favored 'General case' 1 CA--C 1.668 5.49 0 CA-C-O 125.451 2.548 . . . . 0.0 114.783 165.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.341 4.9 mp -51.47 -33.57 31.71 Favored 'General case' 0 C--O 1.254 1.312 0 N-CA-C 121.625 3.935 . . . . 0.0 121.625 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -72.98 -57.43 2.98 Favored Pre-proline 0 N--CA 1.537 3.921 0 O-C-N 128.608 3.692 . . . . 0.0 114.78 164.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.5 ' HD2' ' O ' ' A' ' 33' ' ' ALA . 87.7 Cg_endo -68.0 -15.82 44.07 Favored 'Trans proline' 2 CA--C 1.682 7.922 0 CA-C-O 111.319 -3.701 . . . . 0.0 119.39 -178.274 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 . . . . . 1 CA--C 1.636 4.283 1 O-C-N 132.279 5.987 . . . . 0.0 106.541 173.446 . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.348 6.3 p-90 . . . . . 0 N--CA 1.519 2.993 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.29 -46.98 12.94 Favored 'General case' 0 N--CA 1.511 2.609 0 C-N-CA 128.344 2.658 . . . . 0.0 114.75 -165.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.6 tp -64.36 -23.29 33.05 Favored 'Isoleucine or valine' 0 C--O 1.157 -3.79 0 O-C-N 127.337 2.898 . . . . 0.0 111.932 166.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 t -69.81 -63.78 1.01 Allowed 'General case' 1 N--CA 1.601 7.087 0 C-N-CA 128.997 2.919 . . . . 0.0 108.576 174.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.33 12.6 pt-20 -52.35 -56.24 16.22 Favored 'General case' 0 C--O 1.302 3.829 0 N-CA-C 118.274 2.694 . . . . 0.0 118.274 -174.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 3.8 tp10 -65.02 -60.93 7.0 Favored Pre-proline 1 CA--C 1.652 4.868 1 O-C-N 114.396 -5.19 . . . . 0.0 114.584 -178.111 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD3' ' HB3' ' A' ' 6' ' ' GLU . 49.9 Cg_endo -70.64 -49.46 0.43 Allowed 'Trans proline' 0 CA--C 1.588 3.219 1 C-N-CA 125.696 4.264 . . . . 0.0 120.782 175.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 m -68.31 -51.44 44.72 Favored 'General case' 0 C--N 1.383 2.046 1 N-CA-C 123.389 4.588 . . . . 0.0 123.389 -174.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.452 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 87.2 m -73.57 -39.38 64.7 Favored 'General case' 1 N--CA 1.586 6.368 1 CA-C-N 103.675 -6.148 . . . . 0.0 107.099 -174.233 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.38 34.7 ttt-85 -56.3 -43.64 79.09 Favored 'General case' 0 C--N 1.374 1.639 0 CA-C-N 125.468 3.758 . . . . 0.0 116.87 163.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -50.17 -38.69 40.94 Favored 'General case' 0 CA--C 1.596 2.714 0 O-C-N 126.158 2.161 . . . . 0.0 116.043 163.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 9' ' ' CYS 0.445 1.5 ptp180 -71.29 -36.07 71.55 Favored 'General case' 0 C--O 1.285 2.961 0 CA-C-O 114.643 -2.599 . . . . 0.0 114.911 171.06 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.373 2.9 m -53.45 -40.33 65.13 Favored 'General case' 0 CA--C 1.629 4.0 0 CA-C-N 121.769 2.077 . . . . 0.0 112.682 176.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -33.96 74.52 Favored 'General case' 0 C--O 1.271 2.225 1 CA-C-O 108.743 -5.408 . . . . 0.0 107.79 162.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.527 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.323 44.4 m170 -57.69 -30.44 65.48 Favored 'General case' 0 CA--C 1.605 3.091 0 CA-C-N 123.27 2.759 . . . . 0.0 110.728 173.12 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.502 ' C ' ' CA ' ' A' ' 16' ' ' LEU 0.391 4.7 tt -44.99 -48.84 30.42 Favored Pre-proline 1 CA--C 1.745 8.467 0 O-C-N 118.398 -2.689 . . . . 0.0 109.581 -173.588 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -40.72 -52.11 3.33 Favored 'Trans proline' 0 N--CA 1.534 3.894 0 C-N-CA 123.556 2.837 . . . . 0.0 111.384 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 15' ' ' HIS 0.399 4.2 pp -58.8 -49.9 75.95 Favored 'General case' 1 N--CA 1.564 5.23 0 C-N-CA 127.977 2.511 . . . . 0.0 115.37 170.728 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.46 47.05 24.94 Favored 'General case' 1 N--CA 1.55 4.529 0 O-C-N 117.824 -3.047 . . . . 0.0 118.848 176.845 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.535 1.7 p90 -104.16 -45.67 4.65 Favored 'General case' 1 N--CA 1.587 6.416 0 O-C-N 120.257 -1.527 . . . . 0.0 113.037 166.454 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 t -91.2 73.52 6.25 Favored 'General case' 1 N--CA 1.563 5.205 1 N-CA-C 98.731 -4.544 . . . . 0.0 98.731 177.282 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.443 0.0 OUTLIER -91.23 -33.06 15.52 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 127.009 2.693 . . . . 0.0 115.614 170.757 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 p -90.89 -68.87 0.76 Allowed 'General case' 1 CA--C 1.645 4.6 0 CA-C-O 113.33 -3.224 . . . . 0.0 108.363 161.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.97 116.56 0.55 Allowed Glycine 1 C--N 1.447 6.71 2 CA-C-O 109.128 -6.373 . . . . 0.0 119.77 -167.324 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.274 60.7 Cg_endo -65.16 2.77 1.25 Allowed 'Trans proline' 1 N--CA 1.629 9.453 2 CA-C-N 127.829 5.814 . . . . 0.0 126.266 167.973 . . . . . . . . 4 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.26 1.1 mp -88.15 -76.28 0.39 Allowed 'General case' 0 C--N 1.425 3.87 0 CA-C-O 121.856 0.836 . . . . 0.0 112.291 -170.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.762 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 23.3 p -100.04 124.61 42.88 Favored Pre-proline 0 C--O 1.301 3.77 2 O-C-N 130.614 4.946 . . . . 0.0 104.63 -179.836 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -84.86 82.36 1.76 Allowed 'Trans proline' 1 CA--C 1.609 4.243 0 N-CA-C 117.286 1.995 . . . . 0.0 117.286 -178.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 51.25 76.46 0.16 Allowed 'General case' 1 N--CA 1.558 4.945 2 N-CA-C 126.096 5.591 . . . . 0.0 126.096 -156.729 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.762 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 9.6 t -102.74 10.75 38.36 Favored 'General case' 0 CA--C 1.62 3.663 2 O-C-N 132.464 6.103 . . . . 0.0 113.243 176.052 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.05 -37.53 22.0 Favored 'General case' 0 C--N 1.423 3.785 1 O-C-N 131.392 5.432 . . . . 0.0 109.156 175.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -74.34 -31.85 62.59 Favored 'General case' 0 C--O 1.198 -1.65 0 CA-C-N 121.768 2.077 . . . . 0.0 114.637 -176.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.332 . . -61.06 -34.61 75.16 Favored 'General case' 0 CA--C 1.6 2.891 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 166.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 m -55.65 -44.69 77.44 Favored 'General case' 1 N--CA 1.597 6.925 0 CA-C-O 123.615 1.674 . . . . 0.0 114.11 165.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -32.1 67.46 Favored 'General case' 0 C--N 1.255 -3.526 0 CA-C-O 112.281 -3.723 . . . . 0.0 111.066 177.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.349 54.4 mt-30 -67.34 -62.53 3.49 Favored Pre-proline 0 CA--C 1.622 3.717 1 CA-C-N 127.881 4.855 . . . . 0.0 111.677 171.553 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.293 8.5 Cg_endo -45.13 -42.32 16.38 Favored 'Trans proline' 1 C--N 1.5 8.541 1 N-CA-C 123.88 4.531 . . . . 0.0 123.88 170.812 . . . . . . . . 4 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.429 14.5 pt-20 . . . . . 2 C--N 1.493 6.83 0 N-CA-C 105.291 -2.115 . . . . 0.0 105.291 -178.655 . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.486 1.8 p-90 . . . . . 0 CA--C 1.594 2.638 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.94 -48.49 11.42 Favored 'General case' 1 CA--C 1.409 -4.474 0 N-CA-C 121.614 3.931 . . . . 0.0 121.614 -171.475 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 tp -60.92 -34.25 58.85 Favored 'Isoleucine or valine' 1 CA--C 1.657 5.089 0 CA-C-O 124.349 2.023 . . . . 0.0 108.685 170.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 t -50.75 -63.53 1.1 Allowed 'General case' 0 CA--C 1.456 -2.671 2 O-C-N 113.79 -5.569 . . . . 0.0 122.292 168.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.293 11.4 pt-20 -54.24 -52.46 61.26 Favored 'General case' 1 N--CA 1.566 5.363 0 CA-C-N 110.6 -3.0 . . . . 0.0 118.76 -178.519 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' OE1' ' HA ' ' A' ' 6' ' ' GLU 0.454 0.2 OUTLIER -60.83 -71.38 0.34 Allowed Pre-proline 1 N--CA 1.57 5.575 0 CA-C-O 114.172 -2.823 . . . . 0.0 110.575 179.141 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.57 -47.04 1.07 Allowed 'Trans proline' 0 N--CA 1.533 3.844 1 C-N-CA 127.974 5.783 . . . . 0.0 120.633 -176.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 m -72.77 -56.29 5.47 Favored 'General case' 2 N--CA 1.584 6.243 0 O-C-N 129.072 3.982 . . . . 0.0 112.798 -170.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.0 m -71.84 -38.97 70.03 Favored 'General case' 1 CA--C 1.698 6.637 0 CA-C-N 111.291 -2.686 . . . . 0.0 115.286 -171.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.278 59.8 ttt-85 -55.08 -43.56 74.04 Favored 'General case' 0 C--O 1.28 2.675 0 CA-C-O 113.491 -3.147 . . . . 0.0 111.963 161.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -49.27 -40.33 33.94 Favored 'General case' 0 C--N 1.385 2.116 0 CA-C-N 120.757 1.617 . . . . 0.0 111.794 163.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.481 1.0 OUTLIER -69.25 -35.21 75.88 Favored 'General case' 0 CA--C 1.458 -2.568 0 N-CA-C 120.157 3.391 . . . . 0.0 120.157 173.177 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.275 4.0 m -57.76 -39.53 77.64 Favored 'General case' 1 C--N 1.462 5.458 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -179.553 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -29.9 42.35 Favored 'General case' 1 N--CA 1.549 4.516 0 O-C-N 127.703 3.127 . . . . 0.0 116.951 159.293 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.421 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.252 36.3 m170 -61.02 -26.09 67.37 Favored 'General case' 3 CA--C 1.67 5.592 0 N-CA-C 103.84 -2.652 . . . . 0.0 103.84 176.881 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.322 7.1 tt -55.51 -32.15 11.81 Favored Pre-proline 2 CA--C 1.648 4.743 0 CA-C-N 121.818 2.099 . . . . 0.0 112.436 -170.419 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.329 2.8 Cg_endo -49.34 -51.51 10.55 Favored 'Trans proline' 2 N--CA 1.601 7.849 0 C-N-CA 124.383 3.389 . . . . 0.0 112.351 172.071 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 15' ' ' HIS 0.32 4.3 pp -59.66 -47.52 85.31 Favored 'General case' 1 N--CA 1.602 7.17 0 O-C-N 126.294 2.246 . . . . 0.0 115.528 170.85 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.343 0.8 OUTLIER 53.79 46.99 24.66 Favored 'General case' 1 CA--C 1.632 4.114 1 N-CA-C 122.118 4.118 . . . . 0.0 122.118 178.933 . . . . . . . . 5 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.352 7.4 p90 -108.88 -50.43 3.01 Favored 'General case' 1 C--O 1.349 6.323 0 O-C-N 120.139 -1.601 . . . . 0.0 110.898 168.004 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.24 68.17 9.78 Favored 'General case' 0 CA--C 1.584 2.274 0 O-C-N 119.43 -2.044 . . . . 0.0 111.249 173.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.29 0.0 OUTLIER -81.55 -28.69 33.77 Favored 'General case' 0 C--N 1.428 3.997 0 CA-C-N 112.583 -2.099 . . . . 0.0 116.517 170.498 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 p -93.94 -73.51 0.57 Allowed 'General case' 1 CA--C 1.68 5.967 0 CA-C-O 112.036 -3.84 . . . . 0.0 103.789 166.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.533 ' C ' ' CA ' ' A' ' 25' ' ' PRO . . . 84.3 121.83 0.94 Allowed Glycine 1 N--CA 1.579 8.216 1 CA-C-O 109.604 -6.109 . . . . 0.0 118.642 -166.712 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 1.44 ' CA ' ' N ' ' A' ' 25' ' ' PRO . 13.1 Cg_endo -74.6 6.07 3.43 Favored 'Trans proline' 2 N--CA 1.681 12.5 1 CA-C-N 126.143 4.971 . . . . 0.0 117.666 173.303 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.252 4.9 mp -87.09 -81.52 0.23 Allowed 'General case' 0 N--CA 1.52 3.052 0 CA-C-O 127.083 3.325 . . . . 0.0 111.604 -172.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.685 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 29.3 p -104.38 122.12 44.99 Favored Pre-proline 0 N--CA 1.389 -3.486 1 CA-C-O 131.999 5.666 . . . . 0.0 103.855 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -79.62 77.15 4.19 Favored 'Trans proline' 2 N--CA 1.588 7.033 1 O-C-N 112.245 -4.661 . . . . 0.0 119.469 -178.538 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 57.04 74.43 0.41 Allowed 'General case' 0 CA--C 1.606 3.104 0 CA-C-N 111.474 -2.603 . . . . 0.0 116.06 -161.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.685 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 9.9 t -98.3 3.34 48.71 Favored 'General case' 0 C--O 1.263 1.788 0 C-N-CA 128.916 2.887 . . . . 0.0 116.664 168.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -44.15 48.26 Favored 'General case' 2 N--CA 1.574 5.754 0 CA-C-O 113.361 -3.209 . . . . 0.0 110.236 169.331 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 35' ' ' LEU . 30.7 pttt -64.54 -30.45 71.48 Favored 'General case' 1 N--CA 1.551 4.577 0 CA-C-N 125.37 3.714 . . . . 0.0 120.75 176.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.426 ' O ' ' CD ' ' A' ' 37' ' ' PRO 0.385 . . -61.38 -32.81 72.74 Favored 'General case' 0 C--O 1.26 1.64 0 N-CA-C 118.911 2.93 . . . . 0.0 118.911 164.847 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -53.39 -49.3 67.53 Favored 'General case' 2 N--CA 1.593 6.689 0 CA-C-O 125.358 2.504 . . . . 0.0 112.858 166.476 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 32' ' ' LYS 0.269 0.6 OUTLIER -48.53 -47.25 39.29 Favored 'General case' 0 C--N 1.392 2.451 0 C-N-CA 130.178 3.391 . . . . 0.0 113.708 172.189 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -68.14 -61.88 3.68 Favored Pre-proline 1 CA--C 1.67 5.564 1 CA-C-O 111.382 -4.152 . . . . 0.0 105.648 -179.455 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.426 ' CD ' ' O ' ' A' ' 33' ' ' ALA 0.276 0.9 OUTLIER -50.93 -40.22 58.39 Favored 'Trans proline' 1 CA--C 1.63 5.322 1 C-N-CA 127.586 5.524 . . . . 0.0 119.877 172.594 . . . . . . . . 6 4 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.288 14.0 pt-20 . . . . . 1 N--CA 1.591 6.578 0 CA-C-N 125.521 3.782 . . . . 0.0 112.302 177.328 . . . . . . . . 2 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.469 2.5 p-90 . . . . . 0 CA--C 1.587 2.403 0 CA-C-O 123.807 1.765 . . . . 0.0 110.076 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.68 -46.23 12.54 Favored 'General case' 1 CA--C 1.641 4.474 0 N-CA-C 120.119 3.377 . . . . 0.0 120.119 -166.359 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.319 5.0 tp -61.65 -29.18 45.61 Favored 'Isoleucine or valine' 1 CA--C 1.716 7.328 1 O-C-N 129.217 4.073 . . . . 0.0 111.042 166.434 . . . . . . . . 4 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -69.38 -55.31 10.74 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 110.139 -3.209 . . . . 0.0 115.161 176.524 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 8.7 pt-20 -55.32 -53.19 59.28 Favored 'General case' 1 C--O 1.31 4.246 0 O-C-N 126.401 2.313 . . . . 0.0 112.824 -175.029 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.444 0.0 OUTLIER -65.08 -56.51 19.97 Favored Pre-proline 1 N--CA 1.573 5.709 0 CA-C-N 124.78 3.446 . . . . 0.0 114.868 -179.18 . . . . . . . . 4 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -83.79 -43.4 0.07 OUTLIER 'Trans proline' 1 C--N 1.467 6.787 0 O-C-N 115.602 -2.894 . . . . 0.0 116.675 -177.855 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m -73.76 -52.16 14.07 Favored 'General case' 0 CA--C 1.584 2.287 1 CA-C-O 129.189 4.328 . . . . 0.0 114.928 -166.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.497 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.483 84.2 m -66.86 -50.95 60.9 Favored 'General case' 0 C--O 1.288 3.081 1 CA-C-N 108.325 -4.034 . . . . 0.0 113.471 179.832 . . . . . . . . 4 3 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.268 73.6 ttt-85 -59.18 -41.08 87.6 Favored 'General case' 1 N--CA 1.633 8.694 0 CA-C-O 112.01 -3.852 . . . . 0.0 104.873 174.465 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -54.6 -33.38 60.29 Favored 'General case' 1 C--N 1.439 4.477 0 CA-C-N 125.558 3.799 . . . . 0.0 108.459 167.085 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.497 ' HG2' ' HA ' ' A' ' 9' ' ' CYS 0.411 2.0 ptp180 -72.25 -35.46 68.8 Favored 'General case' 1 C--O 1.309 4.223 0 CA-C-N 125.006 3.548 . . . . 0.0 112.7 169.5 . . . . . . . . 4 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.278 5.6 m -62.14 -41.77 98.6 Favored 'General case' 0 N--CA 1.518 2.961 0 CA-C-N 122.563 2.438 . . . . 0.0 112.142 -177.577 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.393 0.5 OUTLIER -50.07 -31.56 13.44 Favored 'General case' 1 C--O 1.31 4.27 0 O-C-N 125.863 1.977 . . . . 0.0 115.482 160.303 . . . . . . . . 4 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.508 17.1 m170 -57.73 -34.7 69.78 Favored 'General case' 0 C--O 1.259 1.577 0 C-N-CA 128.285 2.634 . . . . 0.0 109.035 168.49 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.587 8.5 tt -42.43 -42.54 6.81 Favored Pre-proline 2 N--CA 1.56 5.04 0 O-C-N 116.956 -3.59 . . . . 0.0 115.101 -176.837 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.422 1.9 Cg_endo -46.55 -53.4 6.11 Favored 'Trans proline' 1 N--CA 1.585 6.873 0 C-N-CA 124.204 3.269 . . . . 0.0 114.537 172.755 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.357 4.7 pp -57.72 -50.07 74.45 Favored 'General case' 1 C--N 1.46 5.407 0 N-CA-C 118.322 2.712 . . . . 0.0 118.322 169.767 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.25 1.2 tt0 52.16 58.12 5.76 Favored 'General case' 1 CA--C 1.683 6.071 0 N-CA-C 121.563 3.912 . . . . 0.0 121.563 -177.717 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.289 4.5 p90 -114.35 -57.37 2.28 Favored 'General case' 0 CA--C 1.605 3.094 0 N-CA-C 105.729 -1.952 . . . . 0.0 105.729 164.404 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.07 56.84 0.79 Allowed 'General case' 1 C--N 1.441 4.575 0 C-N-CA 116.499 -2.08 . . . . 0.0 116.468 173.862 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.301 0.0 OUTLIER -70.48 -31.44 68.57 Favored 'General case' 2 N--CA 1.608 7.468 0 C-N-CA 127.647 2.379 . . . . 0.0 116.102 167.821 . . . . . . . . 4 3 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -97.3 -66.38 0.91 Allowed 'General case' 0 CA--C 1.619 3.633 0 CA-C-N 112.256 -2.247 . . . . 0.0 106.762 171.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.94 127.53 0.52 Allowed Glycine 2 N--CA 1.642 12.368 0 CA-C-O 115.526 -2.819 . . . . 0.0 116.018 -176.154 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -84.65 11.81 3.25 Favored 'Trans proline' 1 CA--C 1.653 6.426 2 CA-C-N 126.761 5.28 . . . . 0.0 123.316 176.897 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mp -96.91 -78.69 0.47 Allowed 'General case' 1 CA--C 1.679 5.92 0 O-C-N 116.665 -3.772 . . . . 0.0 108.496 -171.646 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.522 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 24.2 p -99.41 125.44 41.11 Favored Pre-proline 1 N--CA 1.541 4.092 0 CA-C-O 125.222 2.439 . . . . 0.0 108.061 173.771 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -78.85 79.52 3.35 Favored 'Trans proline' 1 N--CA 1.555 5.104 0 N-CA-C 116.453 1.674 . . . . 0.0 116.453 -178.426 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 57.71 83.5 0.11 Allowed 'General case' 1 CA--C 1.694 6.484 0 C-N-CA 129.057 2.943 . . . . 0.0 109.751 -168.794 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.522 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.33 7.1 t -111.62 3.03 17.62 Favored 'General case' 0 N--CA 1.534 3.743 0 CA-C-N 110.119 -3.218 . . . . 0.0 113.415 172.701 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -38.15 69.79 Favored 'General case' 0 N--CA 1.517 2.884 0 N-CA-C 119.472 3.138 . . . . 0.0 119.472 161.152 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.486 ' HA ' ' HB2' ' A' ' 35' ' ' LEU . 26.6 pttt -56.74 -35.23 68.36 Favored 'General case' 1 N--CA 1.612 7.66 1 N-CA-C 123.418 4.599 . . . . 0.0 123.418 165.061 . . . . . . . . 4 3 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.16 76.63 Favored 'General case' 2 N--CA 1.546 4.351 0 CA-C-O 114.446 -2.692 . . . . 0.0 115.327 167.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -34.8 77.99 Favored 'General case' 1 CA--C 1.631 4.068 0 O-C-N 127.203 2.814 . . . . 0.0 116.303 171.686 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 32' ' ' LYS 0.262 0.6 OUTLIER -48.92 -54.25 16.26 Favored 'General case' 0 C--N 1.41 3.226 1 O-C-N 130.355 4.784 . . . . 0.0 117.106 163.109 . . . . . . . . 5 4 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.255 53.2 mt-30 -62.32 -61.93 6.71 Favored Pre-proline 2 CA--C 1.645 4.617 1 CA-C-O 111.026 -4.321 . . . . 0.0 106.652 179.843 . . . . . . . . 4 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -48.05 -42.82 31.84 Favored 'Trans proline' 0 C--O 1.178 -2.493 3 N-CA-C 124.915 4.929 . . . . 0.0 124.915 169.414 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.297 10.9 pt-20 . . . . . 1 C--O 1.306 4.045 2 O-C-N 111.102 -7.248 . . . . 0.0 120.154 179.637 . . . . . . . . 3 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.62 65.7 p-90 . . . . . 1 C--O 1.316 4.587 0 N-CA-C 118.11 2.633 . . . . 0.0 118.11 . . . . . . . . . 2 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.4 mp -91.83 -45.99 8.1 Favored 'General case' 1 CA--C 1.713 7.236 0 CA-C-O 123.022 1.392 . . . . 0.0 112.81 -162.429 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.1 tp -73.24 -25.58 21.66 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.296 0 CA-C-N 111.8 -2.455 . . . . 0.0 110.303 168.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 t -66.37 -65.39 0.68 Allowed 'General case' 0 N--CA 1.401 -2.89 0 N-CA-C 118.105 2.632 . . . . 0.0 118.105 171.781 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.252 6.5 pt-20 -33.79 -61.66 0.33 Allowed 'General case' 1 N--CA 1.621 8.123 0 N-CA-C 117.022 2.23 . . . . 0.0 117.022 -174.727 . . . . . . . . 3 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.61 -51.94 37.78 Favored Pre-proline 1 N--CA 1.553 4.706 0 O-C-N 119.433 -2.042 . . . . 0.0 116.0 177.479 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.353 60.6 Cg_endo -76.07 -62.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.526 3.416 0 N-CA-C 121.545 3.633 . . . . 0.0 121.545 -174.59 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.3 m -76.31 -46.06 29.48 Favored 'General case' 1 N--CA 1.579 6.02 1 O-C-N 113.63 -5.669 . . . . 0.0 111.55 -176.214 . . . . . . . . 3 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.33 81.3 m -56.67 -32.07 65.05 Favored 'General case' 0 N--CA 1.534 3.741 1 O-C-N 130.708 5.005 . . . . 0.0 117.574 175.591 . . . . . . . . 3 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.3 ttt-85 -71.21 -61.94 1.58 Allowed 'General case' 0 C--O 1.282 2.808 0 C-N-CA 127.949 2.499 . . . . 0.0 106.372 171.062 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -44.09 -39.92 4.56 Favored 'General case' 2 C--N 1.453 5.067 1 C-N-CA 109.011 -5.076 . . . . 0.0 121.604 163.091 . . . . . . . . 3 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER -58.48 -40.1 81.8 Favored 'General case' 0 C--O 1.266 1.97 0 N-CA-C 119.468 3.136 . . . . 0.0 119.468 171.364 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.2 m -48.24 -40.3 24.14 Favored 'General case' 1 N--CA 1.544 4.274 1 N-CA-C 122.785 4.365 . . . . 0.0 122.785 167.369 . . . . . . . . 3 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.39 -28.43 19.63 Favored 'General case' 1 N--CA 1.583 6.181 0 N-CA-C 120.641 3.571 . . . . 0.0 120.641 162.355 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.386 12.4 m170 -54.46 -32.26 57.28 Favored 'General case' 0 CA--C 1.599 2.836 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 166.49 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.19 -49.74 83.07 Favored Pre-proline 0 N--CA 1.53 3.562 0 CA-C-O 112.178 -3.772 . . . . 0.0 117.435 -170.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -44.89 -38.32 13.05 Favored 'Trans proline' 0 C--N 1.403 3.433 1 CA-C-N 131.21 5.039 . . . . 0.0 114.828 162.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.484 0.3 OUTLIER -63.1 -54.5 36.92 Favored 'General case' 2 CA--C 1.677 5.834 0 CA-C-O 112.824 -3.465 . . . . 0.0 113.379 171.813 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 69.25 64.75 0.28 Allowed 'General case' 0 CA--C 1.626 3.884 0 O-C-N 127.143 2.777 . . . . 0.0 113.277 170.256 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -129.96 -27.22 2.31 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 111.763 -3.97 . . . . 0.0 120.571 160.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.5 t -98.34 47.34 0.99 Allowed 'General case' 1 C--N 1.455 5.174 0 CA-C-N 124.65 3.386 . . . . 0.0 108.053 158.086 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER -54.09 -41.4 68.19 Favored 'General case' 2 CA--C 1.655 4.987 0 O-C-N 124.981 1.426 . . . . 0.0 113.05 172.235 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.15 -35.81 19.92 Favored 'General case' 0 N--CA 1.491 1.576 1 N-CA-C 126.356 5.687 . . . . 0.0 126.356 171.637 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.78 104.33 0.71 Allowed Glycine 1 N--CA 1.521 4.343 0 N-CA-C 121.547 3.379 . . . . 0.0 121.547 176.832 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -79.39 -21.64 8.76 Favored 'Trans proline' 1 CA--C 1.616 4.621 0 N-CA-C 120.104 3.078 . . . . 0.0 120.104 171.209 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.276 0.3 OUTLIER -78.68 -50.75 10.91 Favored 'General case' 0 C--N 1.389 2.285 1 CA-C-O 108.106 -5.711 . . . . 0.0 115.654 172.115 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.582 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 27.7 p -130.47 98.6 20.11 Favored Pre-proline 0 C--N 1.428 3.996 0 CA-C-N 125.132 3.606 . . . . 0.0 101.738 169.056 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 1.439 ' CG ' ' CB ' ' A' ' 28' ' ' PRO . 60.2 Cg_endo -83.75 145.48 11.51 Favored 'Trans proline' 2 C--N 1.44 5.362 0 N-CA-C 109.676 -0.932 . . . . 0.0 109.676 -170.185 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 49.46 30.24 3.29 Favored 'General case' 1 CA--C 1.642 4.511 0 CA-C-O 113.495 -3.145 . . . . 0.0 117.832 -167.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . 0.262 3.7 t -71.98 -18.44 61.99 Favored 'General case' 2 CA--C 1.683 6.074 1 N-CA-C 125.509 5.374 . . . . 0.0 125.509 163.331 . . . . . . . . 4 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.444 ' O ' ' HB ' ' A' ' 34' ' ' THR . 2.3 ttt -70.27 -55.12 10.01 Favored 'General case' 2 N--CA 1.592 6.647 0 CA-C-O 114.078 -2.868 . . . . 0.0 107.406 -178.758 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -45.1 -45.3 11.09 Favored 'General case' 1 N--CA 1.541 4.097 0 O-C-N 126.293 2.246 . . . . 0.0 116.491 -178.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.429 ' O ' ' HD2' ' A' ' 37' ' ' PRO . . . -69.14 -26.79 65.06 Favored 'General case' 1 N--CA 1.555 4.776 1 N-CA-C 122.656 4.317 . . . . 0.0 122.656 173.978 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' A' ' 31' ' ' MET 0.329 60.1 m -47.96 -44.21 30.1 Favored 'General case' 1 CA--C 1.739 8.243 0 O-C-N 127.365 2.916 . . . . 0.0 109.007 171.745 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.404 1.1 mt -64.21 -28.21 69.59 Favored 'General case' 0 C--N 1.383 2.035 0 CA-C-N 109.633 -3.439 . . . . 0.0 114.144 -170.7 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -66.0 -60.38 7.18 Favored Pre-proline 0 CA--C 1.607 3.168 1 CA-C-O 108.059 -5.734 . . . . 0.0 107.567 173.301 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HD2' ' O ' ' A' ' 33' ' ' ALA . 10.6 Cg_endo -77.52 -26.57 7.06 Favored 'Trans proline' 0 CA--C 1.588 3.182 0 CA-C-N 124.975 2.812 . . . . 0.0 119.392 -175.05 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.294 5.3 pt-20 . . . . . 0 CA--C 1.573 1.853 0 CA-C-N 119.52 1.055 . . . . 0.0 110.237 -171.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.574 68.7 p-90 . . . . . 0 N--CA 1.52 3.052 1 N-CA-C 122.353 4.205 . . . . 0.0 122.353 . . . . . . . . . 2 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.8 mp -83.3 -58.9 2.64 Favored 'General case' 1 CA--C 1.736 8.109 1 O-C-N 129.709 4.381 . . . . 0.0 113.547 -164.964 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.32 5.7 tp -61.66 -24.37 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.2 0 CA-C-N 111.462 -2.608 . . . . 0.0 112.078 163.413 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.8 t -77.23 -54.15 6.85 Favored 'General case' 0 N--CA 1.528 3.452 0 O-C-N 118.076 -2.89 . . . . 0.0 117.713 175.224 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 9' ' ' CYS 0.306 2.4 pt-20 -43.94 -62.13 1.22 Allowed 'General case' 1 CA--C 1.63 4.058 0 C-N-CA 125.313 1.445 . . . . 0.0 113.785 -169.896 . . . . . . . . 4 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.414 2.2 tp10 -59.02 -57.86 23.91 Favored Pre-proline 1 CA--C 1.63 4.041 0 O-C-N 126.854 2.596 . . . . 0.0 112.09 178.543 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.324 58.2 Cg_endo -76.61 -64.16 0.03 OUTLIER 'Trans proline' 1 N--CA 1.56 5.425 1 N-CA-C 122.589 4.034 . . . . 0.0 122.589 -174.212 . . . . . . . . 4 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.282 51.8 m -73.21 -38.93 65.91 Favored 'General case' 0 CA--C 1.598 2.79 1 O-C-N 115.19 -4.694 . . . . 0.0 114.804 -172.531 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.486 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.287 81.1 m -66.68 -33.72 76.28 Favored 'General case' 1 C--N 1.453 5.085 0 C-N-CA 129.242 3.017 . . . . 0.0 110.989 -177.117 . . . . . . . . 4 3 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.8 ttt-85 -66.37 -53.45 35.9 Favored 'General case' 0 N--CA 1.518 2.929 0 O-C-N 126.099 2.125 . . . . 0.0 112.242 166.627 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -52.67 -45.96 67.0 Favored 'General case' 0 CA--C 1.586 2.338 0 CA-C-N 122.561 2.437 . . . . 0.0 106.099 166.393 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HG2' ' HA ' ' A' ' 9' ' ' CYS 0.43 0.0 OUTLIER -52.33 -48.13 65.64 Favored 'General case' 0 C--N 1.389 2.285 0 N-CA-C 119.934 3.309 . . . . 0.0 119.934 176.126 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.3 m -49.61 -34.71 18.76 Favored 'General case' 2 N--CA 1.613 7.724 0 O-C-N 117.609 -3.182 . . . . 0.0 115.295 175.813 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -59.37 -38.31 80.15 Favored 'General case' 2 CA--C 1.65 4.802 0 O-C-N 127.219 2.825 . . . . 0.0 110.72 172.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.417 ' O ' ' HG ' ' A' ' 18' ' ' LEU 0.454 12.0 m170 -41.37 -28.25 0.11 Allowed 'General case' 1 CA--C 1.662 5.25 0 O-C-N 119.684 -1.885 . . . . 0.0 114.865 167.596 . . . . . . . . 4 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.264 1.4 tt -59.55 -55.61 44.15 Favored Pre-proline 1 N--CA 1.555 4.786 1 CA-C-O 108.523 -5.513 . . . . 0.0 113.372 -164.983 . . . . . . . . 4 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -47.1 -37.39 23.01 Favored 'Trans proline' 1 CA--C 1.626 5.111 1 CA-C-O 110.379 -4.092 . . . . 0.0 109.662 169.99 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 15' ' ' HIS 0.597 3.9 pp -59.69 -54.35 47.39 Favored 'General case' 1 N--CA 1.572 5.635 1 N-CA-C 122.572 4.286 . . . . 0.0 122.572 167.375 . . . . . . . . 5 3 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.328 13.6 tt0 69.53 62.05 0.28 Allowed 'General case' 0 C--O 1.26 1.632 0 N-CA-C 118.863 2.912 . . . . 0.0 118.863 170.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.295 16.5 p90 -126.05 -36.22 2.37 Favored 'General case' 0 N--CA 1.527 3.398 1 N-CA-C 123.556 4.65 . . . . 0.0 123.556 166.502 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.4 t -105.41 49.88 0.79 Allowed 'General case' 0 N--CA 1.534 3.733 0 CA-C-O 127.547 3.546 . . . . 0.0 107.976 164.211 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -39.85 88.96 Favored 'General case' 0 C--N 1.412 3.286 1 O-C-N 115.486 -4.509 . . . . 0.0 110.246 170.52 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.428 3.0 p -79.79 -53.12 7.09 Favored 'General case' 0 CA--C 1.607 3.157 0 N-CA-C 121.645 3.943 . . . . 0.0 121.645 170.751 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.32 110.08 2.92 Favored Glycine 1 CA--C 1.587 4.533 0 O-C-N 127.634 3.084 . . . . 0.0 115.4 176.481 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.251 82.1 Cg_endo -82.81 -31.76 0.7 Allowed 'Trans proline' 1 CA--C 1.613 4.428 0 CA-C-N 121.741 2.77 . . . . 0.0 119.113 168.982 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.91 -69.05 0.39 Allowed 'General case' 0 C--N 1.287 -2.109 1 CA-C-O 109.814 -4.898 . . . . 0.0 105.627 175.927 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.504 ' O ' ' SG ' ' A' ' 27' ' ' CYS 0.254 32.1 p -107.92 91.84 8.26 Favored Pre-proline 2 N--CA 1.6 7.042 2 CA-C-O 107.689 -5.91 . . . . 0.0 106.799 173.543 . . . . . . . . 5 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -74.97 145.8 31.99 Favored 'Trans proline' 1 N--CA 1.564 5.676 0 CA-C-N 128.28 3.993 . . . . 0.0 109.324 -175.634 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 53.53 26.46 5.63 Favored 'General case' 1 CA--C 1.647 4.684 1 N-CA-C 121.831 4.012 . . . . 0.0 121.831 -174.391 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.9 t -80.08 -14.15 58.74 Favored 'General case' 0 C--N 1.423 3.78 1 CA-C-O 110.25 -4.691 . . . . 0.0 116.778 171.811 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ttt -77.29 -53.17 8.03 Favored 'General case' 1 CA--C 1.682 6.024 2 CA-C-N 134.66 7.936 . . . . 0.0 106.986 -173.187 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -44.07 -44.87 7.75 Favored 'General case' 0 C--N 1.393 2.466 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.312 . . -59.34 -48.09 82.94 Favored 'General case' 1 N--CA 1.602 7.161 0 CA-C-O 112.184 -3.769 . . . . 0.0 113.138 174.9 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -32.61 -49.55 0.22 Allowed 'General case' 1 CA--C 1.704 6.898 1 O-C-N 129.372 4.17 . . . . 0.0 114.214 169.652 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.473 1.1 mt -60.33 -38.35 83.47 Favored 'General case' 0 CA--C 1.446 -3.041 0 C-N-CA 129.435 3.094 . . . . 0.0 114.922 -172.145 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.633 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 2.0 mt-30 -60.19 -63.27 4.46 Favored Pre-proline 1 N--CA 1.541 4.106 1 CA-C-O 108.372 -5.585 . . . . 0.0 112.145 170.362 . . . . . . . . 4 3 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.633 ' HD3' ' HB2' ' A' ' 36' ' ' GLN 0.291 18.5 Cg_endo -64.39 -35.66 48.81 Favored 'Trans proline' 0 C--O 1.306 3.877 2 C-N-CA 129.157 6.571 . . . . 0.0 121.259 178.547 . . . . . . . . 4 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.42 5.0 pt-20 . . . . . 0 C--N 1.413 3.332 0 O-C-N 126.901 2.626 . . . . 0.0 107.36 -167.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.47 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 53.3 p-90 . . . . . 0 C--O 1.257 1.486 1 CA-C-O 109.615 -4.993 . . . . 0.0 113.479 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -54.23 -58.13 8.56 Favored 'General case' 1 CA--C 1.632 4.102 0 O-C-N 127.906 3.254 . . . . 0.0 111.522 -175.433 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.334 2.0 tp -54.17 -48.14 66.36 Favored 'Isoleucine or valine' 1 CA--C 1.68 5.956 0 CA-C-O 116.879 -1.534 . . . . 0.0 112.882 167.679 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.279 7.2 t -62.7 -50.63 70.38 Favored 'General case' 0 C--N 1.383 2.041 2 O-C-N 135.26 7.85 . . . . 0.0 119.38 -169.141 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.312 0.6 OUTLIER -41.69 -63.46 0.71 Allowed 'General case' 1 C--N 1.443 4.669 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -170.28 . . . . . . . . 4 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.293 12.4 tp10 -62.99 -53.04 58.79 Favored Pre-proline 1 N--CA 1.58 6.058 1 CA-C-O 110.326 -4.654 . . . . 0.0 109.55 -168.455 . . . . . . . . 4 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -70.09 -52.14 0.32 Allowed 'Trans proline' 1 N--CA 1.588 7.051 2 CA-C-N 131.533 5.155 . . . . 0.0 125.023 178.725 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 m -73.1 -63.7 1.12 Allowed 'General case' 1 CA--C 1.7 6.741 1 O-C-N 115.696 -4.377 . . . . 0.0 112.452 -173.48 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.432 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.422 80.7 m -45.38 -35.36 3.57 Favored 'General case' 1 C--O 1.329 5.278 0 O-C-N 128.482 3.614 . . . . 0.0 115.104 -176.657 . . . . . . . . 4 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.262 4.2 ttt180 -67.54 -52.97 32.58 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-O 115.005 -2.426 . . . . 0.0 107.665 175.613 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.604 62.6 m-20 -54.12 -49.96 67.97 Favored 'General case' 3 C--O 1.323 4.962 0 CA-C-O 111.763 -3.97 . . . . 0.0 113.202 166.163 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.258 2.2 ptp180 -56.37 -37.71 70.44 Favored 'General case' 1 CA--C 1.634 4.178 0 O-C-N 129.072 3.983 . . . . 0.0 109.918 177.033 . . . . . . . . 4 3 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.399 4.9 m -40.89 -33.54 0.31 Allowed 'General case' 1 N--CA 1.54 4.031 0 N-CA-C 120.937 3.681 . . . . 0.0 120.937 167.629 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.331 3.6 mpt_? -64.1 -27.45 69.1 Favored 'General case' 2 CA--C 1.665 5.399 0 O-C-N 116.994 -3.566 . . . . 0.0 111.558 171.636 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 26.6 m170 -65.07 -34.3 78.09 Favored 'General case' 0 C--O 1.275 2.429 1 CA-C-O 111.065 -4.302 . . . . 0.0 109.524 165.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.313 5.7 tt -47.58 -42.4 43.25 Favored Pre-proline 0 N--CA 1.529 3.522 1 N-CA-C 121.824 4.009 . . . . 0.0 121.824 -165.927 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -45.87 -45.33 17.32 Favored 'Trans proline' 1 N--CA 1.589 7.146 0 C-N-CA 124.716 3.611 . . . . 0.0 117.83 163.294 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 19' ' ' GLN . 3.4 pp -71.01 -32.12 68.82 Favored 'General case' 2 N--CA 1.548 4.455 0 O-C-N 116.673 -3.767 . . . . 0.0 116.259 175.356 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.502 ' N ' HD12 ' A' ' 18' ' ' LEU 0.626 3.8 tt0 61.71 62.2 1.32 Allowed 'General case' 0 CA--C 1.601 2.906 1 O-C-N 114.332 -5.23 . . . . 0.0 116.221 169.995 . . . . . . . . 4 3 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.53 -42.31 1.65 Allowed 'General case' 1 C--O 1.315 4.528 0 O-C-N 125.193 1.558 . . . . 0.0 112.986 165.237 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.306 0.3 OUTLIER -108.13 65.6 0.64 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 118.005 -2.934 . . . . 0.0 108.754 172.222 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.781 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -72.45 -55.07 7.6 Favored 'General case' 0 CA--C 1.575 1.925 0 N-CA-C 118.772 2.879 . . . . 0.0 118.772 168.646 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 p -77.82 -26.66 49.65 Favored 'General case' 1 CA--C 1.669 5.525 0 CA-C-N 110.811 -2.904 . . . . 0.0 115.954 162.362 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.91 101.07 0.04 OUTLIER Glycine 1 CA--C 1.602 5.483 0 CA-C-O 118.984 -0.898 . . . . 0.0 115.041 172.468 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.357 7.2 Cg_endo -62.62 -5.34 6.98 Favored 'Trans proline' 0 C--N 1.379 2.15 2 CA-C-N 126.907 5.353 . . . . 0.0 125.236 -170.879 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.278 1.1 mp -104.75 -35.5 7.75 Favored 'General case' 1 CA--C 1.673 5.708 0 CA-C-O 115.241 -2.314 . . . . 0.0 112.679 -178.817 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 15.3 p -123.04 104.61 35.34 Favored Pre-proline 1 CA--C 1.737 8.154 0 CA-C-O 124.992 2.329 . . . . 0.0 104.75 169.274 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -92.42 90.29 0.19 Allowed 'Trans proline' 0 CA--C 1.591 3.348 1 CA-C-O 131.774 4.822 . . . . 0.0 110.651 -171.634 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 87.56 55.16 0.01 OUTLIER 'General case' 1 N--CA 1.543 4.213 1 CA-C-N 105.624 -5.262 . . . . 0.0 112.801 -175.083 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.588 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.448 37.1 t -97.7 -11.53 23.38 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 119.492 3.145 . . . . 0.0 119.492 167.226 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.303 2.5 ttp -76.05 -14.55 60.21 Favored 'General case' 0 C--N 1.398 2.681 1 O-C-N 116.276 -4.015 . . . . 0.0 120.084 -178.02 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.526 ' C ' ' CA ' ' A' ' 33' ' ' ALA . 4.1 pttt -79.04 -35.13 43.14 Favored 'General case' 0 C--N 1.381 1.967 0 C-N-CA 124.684 1.194 . . . . 0.0 111.958 174.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 1.551 ' CA ' ' N ' ' A' ' 33' ' ' ALA 0.376 . . -69.67 -36.79 76.33 Favored 'General case' 1 N--CA 1.694 11.757 0 O-C-N 118.75 -2.469 . . . . 0.0 108.669 174.052 . . . . . . . . 4 3 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 m -43.36 -39.65 3.26 Favored 'General case' 0 C--O 1.188 -2.145 0 N-CA-C 120.817 3.636 . . . . 0.0 120.817 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mp -67.12 -39.38 86.63 Favored 'General case' 0 CA--C 1.612 3.363 1 CA-C-O 111.647 -4.025 . . . . 0.0 115.02 176.281 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.298 7.3 mt-30 -64.07 -64.56 2.72 Favored Pre-proline 0 CA--C 1.602 2.944 2 CA-C-O 109.083 -5.246 . . . . 0.0 110.652 -175.232 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -74.42 -15.34 22.34 Favored 'Trans proline' 0 C--O 1.286 2.905 0 CA-C-N 126.383 3.315 . . . . 0.0 115.193 166.401 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.319 0.2 OUTLIER . . . . . 0 N--CA 1.523 3.197 2 CA-C-N 129.673 5.669 . . . . 0.0 113.085 168.496 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.667 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 61.0 p-90 . . . . . 0 N--CA 1.494 1.746 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.365 1.4 mp -50.02 -48.01 52.82 Favored 'General case' 1 C--N 1.466 5.655 1 N-CA-C 121.848 4.018 . . . . 0.0 121.848 177.954 . . . . . . . . 4 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 tp -71.96 -35.84 55.59 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.983 0 C-N-CA 125.455 1.502 . . . . 0.0 112.165 165.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.274 13.2 t -67.53 -53.48 28.14 Favored 'General case' 0 C--N 1.424 3.817 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.996 -169.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.34 -67.91 0.18 Allowed 'General case' 2 C--N 1.497 6.986 0 CA-C-O 123.564 1.649 . . . . 0.0 114.107 -165.227 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.266 14.2 tp10 -55.35 -53.54 60.86 Favored Pre-proline 0 N--CA 1.531 3.587 0 CA-C-O 112.416 -3.659 . . . . 0.0 119.445 -172.264 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 1.503 ' C ' ' CA ' ' A' ' 7' ' ' PRO . 20.0 Cg_endo -71.67 -55.13 0.13 Allowed 'Trans proline' 2 CA--C 1.77 12.309 1 CA-C-N 133.226 5.759 . . . . 0.0 115.372 177.529 . . . . . . . . 4 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.452 ' N ' ' CA ' ' A' ' 7' ' ' PRO . 2.4 m -71.24 -57.14 4.77 Favored 'General case' 0 CA--C 1.609 3.227 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -171.596 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.498 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.286 77.8 m -55.71 -33.76 64.49 Favored 'General case' 0 CA--C 1.625 3.828 0 N-CA-C 118.825 2.898 . . . . 0.0 118.825 -174.875 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -55.09 -56.48 19.35 Favored 'General case' 0 CA--C 1.607 3.149 0 CA-C-O 113.603 -3.094 . . . . 0.0 109.922 166.481 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.452 75.3 m-20 -56.95 -45.04 83.09 Favored 'General case' 1 CA--C 1.648 4.726 0 CA-C-N 121.498 1.953 . . . . 0.0 113.768 171.878 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.503 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.52 0.3 OUTLIER -54.79 -34.67 62.97 Favored 'General case' 0 CA--C 1.579 2.067 1 CA-C-O 110.915 -4.374 . . . . 0.0 111.663 170.353 . . . . . . . . 5 4 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.391 4.8 m -52.56 -31.51 36.33 Favored 'General case' 1 CA--C 1.65 4.81 0 CA-C-N 124.191 3.178 . . . . 0.0 116.932 170.815 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.344 2.1 mpt_? -61.13 -32.22 71.92 Favored 'General case' 1 C--O 1.359 6.866 0 O-C-N 127.951 3.282 . . . . 0.0 113.426 168.35 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.503 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 44.0 m170 -58.6 -23.71 59.34 Favored 'General case' 1 CA--C 1.664 5.33 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 169.145 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.541 4.8 tt -49.51 -51.54 57.82 Favored Pre-proline 0 N--CA 1.521 3.091 0 N-CA-C 117.423 2.379 . . . . 0.0 117.423 -166.118 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 1.565 ' CG ' ' CD ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -48.11 -38.79 33.05 Favored 'Trans proline' 1 N--CA 1.539 4.168 1 CA-C-O 108.808 -4.747 . . . . 0.0 115.807 164.302 . . . . . . . . 5 4 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 19' ' ' GLN . 3.2 pp -74.37 -34.38 63.34 Favored 'General case' 1 N--CA 1.567 5.419 0 CA-C-N 123.889 3.04 . . . . 0.0 117.089 170.791 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.558 ' N ' HD12 ' A' ' 18' ' ' LEU 0.518 4.0 tt0 66.58 63.06 0.52 Allowed 'General case' 1 N--CA 1.561 5.105 0 C-N-CA 131.211 3.804 . . . . 0.0 115.208 168.295 . . . . . . . . 4 3 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.402 ' CE1' HD13 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -123.67 -37.44 2.63 Favored 'General case' 0 CA--C 1.628 3.961 1 O-C-N 114.93 -4.856 . . . . 0.0 115.904 161.941 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.51 61.59 0.67 Allowed 'General case' 1 CA--C 1.643 4.539 0 O-C-N 128.777 3.798 . . . . 0.0 112.571 173.392 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.496 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -67.29 -52.69 37.48 Favored 'General case' 0 C--O 1.271 2.229 0 O-C-N 128.608 3.693 . . . . 0.0 118.996 167.747 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.362 54.2 p -90.77 -11.39 39.64 Favored 'General case' 0 CA--C 1.589 2.465 0 CA-C-O 125.083 2.373 . . . . 0.0 113.997 167.305 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.25 95.16 0.01 OUTLIER Glycine 3 CA--C 1.625 6.943 2 O-C-N 113.289 -5.882 . . . . 0.0 117.364 173.137 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.555 10.0 Cg_endo -45.91 -16.94 0.23 Allowed 'Trans proline' 0 CA--C 1.589 3.251 1 N-CA-C 125.558 5.176 . . . . 0.0 125.558 -176.149 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.97 -44.44 8.06 Favored 'General case' 0 C--N 1.264 -3.124 0 N-CA-C 119.127 3.01 . . . . 0.0 119.127 177.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.597 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 12.2 p -117.54 91.94 39.42 Favored Pre-proline 2 CA--C 1.68 5.953 0 C-N-CA 128.737 2.815 . . . . 0.0 111.578 171.261 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.93 92.1 1.16 Allowed 'Trans proline' 2 N--CA 1.546 4.61 0 C-N-CA 123.156 2.57 . . . . 0.0 112.168 -169.72 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.362 . . 81.88 50.75 0.02 OUTLIER 'General case' 0 CA--C 1.602 2.943 0 N-CA-C 118.799 2.888 . . . . 0.0 118.799 -170.399 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 1' ' ' TRP . 47.0 t -100.44 -16.6 17.52 Favored 'General case' 1 CA--C 1.662 5.258 0 CA-C-O 116.273 -1.822 . . . . 0.0 112.436 177.354 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ttp -73.39 -16.1 61.34 Favored 'General case' 0 N--CA 1.5 2.03 1 N-CA-C 124.044 4.831 . . . . 0.0 124.044 179.75 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -82.78 -35.49 26.46 Favored 'General case' 0 C--N 1.257 -3.439 0 CA-C-N 112.418 -2.173 . . . . 0.0 113.953 177.244 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . 0.321 . . -67.64 -35.63 79.27 Favored 'General case' 1 C--N 1.47 5.834 0 CA-C-O 116.335 -1.793 . . . . 0.0 114.199 168.697 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 m -42.47 -40.33 2.55 Favored 'General case' 0 N--CA 1.526 3.368 0 CA-C-O 115.469 -2.205 . . . . 0.0 116.48 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mp -69.46 -37.45 77.31 Favored 'General case' 0 C--N 1.267 -3.018 0 CA-C-O 114.547 -2.644 . . . . 0.0 113.946 179.272 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -73.39 -56.33 3.2 Favored Pre-proline 0 CA--C 1.596 2.732 0 CA-C-O 113.109 -3.329 . . . . 0.0 108.084 -171.814 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -74.0 -18.7 21.21 Favored 'Trans proline' 1 CA--C 1.619 4.726 1 CA-C-O 110.184 -4.173 . . . . 0.0 118.856 167.701 . . . . . . . . 4 3 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 2 CA--C 1.648 4.725 0 O-C-N 126.964 2.665 . . . . 0.0 114.986 168.164 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 1.615 ' CG ' ' CB ' ' A' ' 1' ' ' TRP . 49.2 p-90 . . . . . 0 CA--C 1.614 3.424 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.271 6.8 mp -44.62 -51.0 9.49 Favored 'General case' 0 N--CA 1.533 3.713 0 N-CA-C 120.619 3.563 . . . . 0.0 120.619 176.299 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 tp -78.65 -29.84 14.78 Favored 'Isoleucine or valine' 0 C--O 1.158 -3.728 0 C-N-CA 117.475 -1.69 . . . . 0.0 114.086 161.817 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.8 t -63.88 -63.15 1.24 Allowed 'General case' 2 N--CA 1.595 6.777 2 CA-C-O 111.166 -4.254 . . . . 0.0 107.737 -172.248 . . . . . . . . 3 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.31 1.7 pt-20 -33.35 -66.71 0.14 Allowed 'General case' 0 N--CA 1.538 3.967 0 O-C-N 128.485 3.616 . . . . 0.0 118.47 -167.645 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.363 16.1 tp10 -55.95 -51.87 77.03 Favored Pre-proline 0 C--N 1.273 -2.748 1 N-CA-C 126.815 5.857 . . . . 0.0 126.815 -177.187 . . . . . . . . 3 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 1.515 ' CA ' ' C ' ' A' ' 7' ' ' PRO . 36.5 Cg_endo -72.65 -49.85 0.25 Allowed 'Trans proline' 1 CA--C 1.769 12.258 0 CA-C-N 124.82 2.757 . . . . 0.0 118.121 169.597 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -45.95 17.26 Favored 'General case' 0 CA--C 1.478 -1.796 2 N-CA-C 123.011 4.448 . . . . 0.0 123.011 -174.577 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.412 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 71.9 m -68.64 -33.02 73.29 Favored 'General case' 1 C--O 1.325 5.066 0 O-C-N 116.345 -3.972 . . . . 0.0 116.07 -179.86 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.349 2.6 ttt180 -57.8 -47.97 81.05 Favored 'General case' 1 N--CA 1.557 4.876 2 O-C-N 115.967 -4.208 . . . . 0.0 115.758 160.897 . . . . . . . . 4 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -66.26 -25.14 66.75 Favored 'General case' 0 N--CA 1.512 2.664 1 CA-C-N 126.492 4.224 . . . . 0.0 113.831 170.846 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' A' ' 15' ' ' HIS 0.552 0.2 OUTLIER -62.56 -35.97 81.17 Favored 'General case' 1 N--CA 1.583 6.175 1 O-C-N 114.374 -5.204 . . . . 0.0 112.924 164.94 . . . . . . . . 6 4 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -55.42 -33.17 63.31 Favored 'General case' 0 C--N 1.415 3.437 0 O-C-N 116.924 -3.61 . . . . 0.0 117.743 172.605 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.297 2.1 mpt_? -52.19 -34.56 45.86 Favored 'General case' 1 CA--C 1.63 4.035 0 O-C-N 128.877 3.861 . . . . 0.0 118.934 165.657 . . . . . . . . 3 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.559 ' HB2' ' O ' ' A' ' 12' ' ' ARG 0.273 53.0 m170 -50.33 -34.97 25.61 Favored 'General case' 1 CA--C 1.666 5.427 1 CA-C-N 105.301 -5.409 . . . . 0.0 118.708 167.736 . . . . . . . . 5 3 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.416 HD23 ' HD3' ' A' ' 17' ' ' PRO 0.401 3.9 tt -50.64 -53.02 50.82 Favored Pre-proline 1 N--CA 1.595 6.798 2 O-C-N 115.077 -4.764 . . . . 0.0 106.612 -155.796 . . . . . . . . 5 3 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HD3' HD23 ' A' ' 16' ' ' LEU . 15.7 Cg_exo -47.55 -45.89 22.03 Favored 'Trans proline' 2 N--CA 1.38 -5.163 2 C-N-CA 127.386 5.391 . . . . 0.0 113.503 164.714 . . . . . . . . 4 3 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 19' ' ' GLN 0.506 1.7 pp -57.33 -47.53 81.32 Favored 'General case' 0 CA--C 1.608 3.189 2 CA-C-N 128.195 4.998 . . . . 0.0 122.028 170.103 . . . . . . . . 4 3 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.527 ' N ' HD12 ' A' ' 18' ' ' LEU 0.356 6.3 tt0 70.52 56.81 0.26 Allowed 'General case' 0 C--N 1.415 3.425 0 N-CA-C 119.795 3.257 . . . . 0.0 119.795 172.363 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.488 ' CE1' HD13 ' A' ' 18' ' ' LEU . 2.6 p90 -123.71 -32.34 3.33 Favored 'General case' 2 N--CA 1.616 7.858 1 O-C-N 116.223 -4.048 . . . . 0.0 111.446 168.669 . . . . . . . . 4 3 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.305 0.2 OUTLIER -116.34 48.65 1.23 Allowed 'General case' 0 CA--C 1.572 1.818 0 CA-C-O 126.988 3.28 . . . . 0.0 118.236 177.804 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.491 0.0 OUTLIER -58.07 -67.41 0.35 Allowed 'General case' 0 C--N 1.393 2.462 1 C-N-CA 133.126 4.57 . . . . 0.0 112.284 171.868 . . . . . . . . 4 3 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 52.8 p -84.19 -9.19 58.75 Favored 'General case' 1 CA--C 1.636 4.257 1 O-C-N 129.607 4.317 . . . . 0.0 111.1 173.684 . . . . . . . . 3 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.67 97.48 0.01 OUTLIER Glycine 2 N--CA 1.6 9.608 1 CA-C-O 113.208 -4.107 . . . . 0.0 120.059 -177.571 . . . . . . . . 3 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.323 1.7 Cg_endo -48.15 -15.96 0.53 Allowed 'Trans proline' 2 N--CA 1.572 6.119 0 CA-C-N 123.761 3.781 . . . . 0.0 118.577 -179.208 . . . . . . . . 3 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.53 -35.78 9.41 Favored 'General case' 1 C--N 1.429 4.053 0 O-C-N 118.167 -2.833 . . . . 0.0 117.279 -176.466 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.664 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 16.1 p -123.09 88.01 51.07 Favored Pre-proline 1 C--N 1.443 4.651 0 O-C-N 120.002 -1.686 . . . . 0.0 112.578 171.263 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -68.01 93.9 0.4 Allowed 'Trans proline' 2 C--N 1.511 9.103 1 C-N-CA 126.356 4.704 . . . . 0.0 116.829 -170.412 . . . . . . . . 3 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.371 . . 76.74 58.96 0.04 OUTLIER 'General case' 1 CA--C 1.652 4.903 1 O-C-N 129.767 4.417 . . . . 0.0 115.932 -169.696 . . . . . . . . 4 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.772 ' SG ' ' HB2' ' A' ' 1' ' ' TRP . 53.8 t -110.31 -14.72 14.1 Favored 'General case' 0 CA--C 1.62 3.638 0 O-C-N 119.289 -2.132 . . . . 0.0 111.996 176.724 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ttp -73.75 -16.96 61.16 Favored 'General case' 0 CA--C 1.607 3.168 0 N-CA-C 121.456 3.873 . . . . 0.0 121.456 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -86.39 -27.24 24.33 Favored 'General case' 0 CA--C 1.619 3.601 1 CA-C-O 110.621 -4.514 . . . . 0.0 119.613 171.72 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.338 . . -69.62 -34.74 74.51 Favored 'General case' 0 C--O 1.209 -1.032 1 O-C-N 131.33 5.394 . . . . 0.0 115.898 165.688 . . . . . . . . 4 3 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.288 17.2 m -48.92 -37.97 21.45 Favored 'General case' 0 CA--C 1.618 3.567 0 N-CA-C 121.309 3.818 . . . . 0.0 121.309 -176.446 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.296 4.6 mp -58.36 -49.19 78.11 Favored 'General case' 1 C--N 1.432 4.164 0 CA-C-N 111.964 -2.38 . . . . 0.0 113.254 174.211 . . . . . . . . 3 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -65.24 -56.45 19.79 Favored Pre-proline 1 C--N 1.444 4.694 0 C-N-CA 114.678 -2.809 . . . . 0.0 112.236 -168.679 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.452 6.3 Cg_exo -64.11 -30.47 65.56 Favored 'Trans proline' 1 C--N 1.428 4.741 1 CA-C-O 108.853 -4.728 . . . . 0.0 115.819 171.72 . . . . . . . . 5 3 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.292 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.841 1 CA-C-N 128.719 5.236 . . . . 0.0 113.12 171.347 . . . . . . . . 3 2 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.592 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 61.4 p-90 . . . . . 1 N--CA 1.547 4.423 0 N-CA-C 119.211 3.041 . . . . 0.0 119.211 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 mp -51.56 -41.39 61.09 Favored 'General case' 0 C--N 1.385 2.134 1 O-C-N 133.389 6.681 . . . . 0.0 116.832 177.326 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.553 1.2 tp -75.53 -35.49 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.094 0 O-C-N 119.967 -1.708 . . . . 0.0 113.294 162.438 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.0 t -63.38 -69.05 0.29 Allowed 'General case' 2 N--CA 1.583 6.2 0 CA-C-O 115.07 -2.395 . . . . 0.0 108.582 -164.117 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.354 0.6 OUTLIER -21.44 -79.58 0.01 OUTLIER 'General case' 1 CA--C 1.698 6.651 0 CA-C-O 112.096 -3.811 . . . . 0.0 114.702 -172.783 . . . . . . . . 4 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -54.91 -41.09 88.58 Favored Pre-proline 0 CA--C 1.612 3.336 2 O-C-N 130.764 5.04 . . . . 0.0 123.25 -164.163 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.35 -62.92 0.03 OUTLIER 'Trans proline' 1 N--CA 1.54 4.252 0 C-N-CA 123.659 2.906 . . . . 0.0 113.384 172.497 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.324 1.6 m -70.58 -45.44 65.37 Favored 'General case' 2 C--N 1.448 4.88 0 N-CA-C 120.464 3.505 . . . . 0.0 120.464 -164.613 . . . . . . . . 3 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.466 ' HA ' ' HG2' ' A' ' 12' ' ' ARG 0.437 45.0 m -72.31 -36.81 68.99 Favored 'General case' 1 N--CA 1.591 6.608 2 O-C-N 131.845 5.716 . . . . 0.0 110.514 -166.181 . . . . . . . . 5 3 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.392 3.9 ttt180 -65.37 -36.28 83.5 Favored 'General case' 0 C--N 1.428 3.99 0 N-CA-C 118.192 2.664 . . . . 0.0 118.192 174.475 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -70.23 -34.21 72.58 Favored 'General case' 0 C--O 1.169 -3.146 0 CA-C-O 115.176 -2.345 . . . . 0.0 112.3 165.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HG2' ' HA ' ' A' ' 9' ' ' CYS 0.3 0.1 OUTLIER -60.98 -30.19 70.12 Favored 'General case' 0 CA--C 1.44 -3.267 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 162.326 . . . . . . . . 4 4 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.334 54.9 m -50.68 -45.85 58.4 Favored 'General case' 2 N--CA 1.552 4.635 0 CA-C-O 126.776 3.179 . . . . 0.0 109.833 178.239 . . . . . . . . 3 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.409 ' H ' ' HD2' ' A' ' 14' ' ' ARG . 2.3 mpt_? -52.12 -31.94 33.15 Favored 'General case' 1 N--CA 1.542 4.128 1 CA-C-O 109.082 -5.247 . . . . 0.0 109.909 169.412 . . . . . . . . 4 3 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.677 ' HB3' HD11 ' A' ' 18' ' ' LEU 0.334 2.9 m170 -55.92 -29.86 60.74 Favored 'General case' 0 C--O 1.153 -3.981 1 CA-C-N 129.759 5.709 . . . . 0.0 116.04 168.687 . . . . . . . . 4 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -51.01 -52.06 61.74 Favored Pre-proline 1 CA--C 1.635 4.213 1 CA-C-O 108.219 -5.658 . . . . 0.0 109.527 -167.333 . . . . . . . . 3 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 1.477 ' CG ' ' CD ' ' A' ' 17' ' ' PRO 0.377 41.7 Cg_exo -42.63 -36.1 4.55 Favored 'Trans proline' 0 CA--C 1.579 2.733 1 CA-C-N 128.599 4.107 . . . . 0.0 121.744 165.655 . . . . . . . . 4 3 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' A' ' 15' ' ' HIS 0.449 2.0 pp -74.47 -50.33 18.72 Favored 'General case' 1 N--CA 1.56 5.057 0 O-C-N 119.492 -2.005 . . . . 0.0 109.67 -176.392 . . . . . . . . 4 3 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 72.17 57.35 0.15 Allowed 'General case' 0 C--O 1.205 -1.276 1 N-CA-C 126.819 5.859 . . . . 0.0 126.819 172.755 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 2.3 p90 -127.71 -34.32 2.2 Favored 'General case' 0 N--CA 1.53 3.528 0 CA-C-N 112.574 -2.103 . . . . 0.0 112.438 171.347 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.41 65.0 0.83 Allowed 'General case' 0 C--N 1.384 2.099 0 CA-C-O 124.99 2.329 . . . . 0.0 107.162 174.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.516 ' H ' ' HD3' ' A' ' 22' ' ' ARG 0.251 0.0 OUTLIER -68.14 -51.61 44.11 Favored 'General case' 0 C--O 1.289 3.136 1 C-N-CA 132.336 4.255 . . . . 0.0 113.183 165.17 . . . . . . . . 5 4 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.3 p -100.6 5.52 43.94 Favored 'General case' 0 CA--C 1.619 3.602 0 CA-C-N 109.415 -3.538 . . . . 0.0 114.899 179.192 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 30.95 96.92 0.01 OUTLIER Glycine 1 N--CA 1.663 13.773 0 O-C-N 127.432 2.958 . . . . 0.0 120.383 -169.829 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.38 4.0 Cg_exo -29.68 -19.64 0.01 OUTLIER 'Trans proline' 1 N--CA 1.611 8.419 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 172.483 . . . . . . . . 3 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.17 -44.86 7.44 Favored 'General case' 0 CA--C 1.454 -2.73 0 N-CA-C 119.549 3.166 . . . . 0.0 119.549 -179.212 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.1 p -120.04 104.3 44.11 Favored Pre-proline 0 C--N 1.251 -3.679 2 O-C-N 110.118 -7.864 . . . . 0.0 103.03 174.016 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -85.25 99.96 0.69 Allowed 'Trans proline' 2 CA--C 1.636 5.613 3 C-N-CA 128.571 6.18 . . . . 0.0 108.608 -164.853 . . . . . . . . 3 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.534 . . 77.11 59.21 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 124.337 3.244 . . . . 0.0 111.425 -175.702 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.592 ' SG ' ' HB2' ' A' ' 1' ' ' TRP . 53.5 t -112.11 -27.78 8.24 Favored 'General case' 0 CA--C 1.606 3.122 0 CA-C-N 111.081 -2.781 . . . . 0.0 114.061 167.243 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.5 ttp -52.34 -16.79 0.93 Allowed 'General case' 1 C--N 1.432 4.16 0 N-CA-C 119.497 3.147 . . . . 0.0 119.497 173.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -93.03 -32.8 14.36 Favored 'General case' 1 CA--C 1.689 6.323 0 O-C-N 117.765 -3.084 . . . . 0.0 109.627 -170.218 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.591 ' O ' ' HD2' ' A' ' 37' ' ' PRO . . . -56.77 -34.75 67.92 Favored 'General case' 0 N--CA 1.529 3.492 1 CA-C-O 110.463 -4.589 . . . . 0.0 114.011 160.829 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.5 m -50.49 -36.47 33.94 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 124.717 3.417 . . . . 0.0 111.468 -171.782 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.331 5.2 mp -65.78 -53.45 40.26 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 174.398 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.255 33.6 mt-30 -58.14 -53.95 60.68 Favored Pre-proline 1 N--CA 1.545 4.286 1 O-C-N 111.602 -6.936 . . . . 0.0 115.39 178.274 . . . . . . . . 4 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.591 ' HD2' ' O ' ' A' ' 33' ' ' ALA 0.343 7.7 Cg_exo -57.64 -36.92 98.37 Favored 'Trans proline' 1 N--CA 1.563 5.559 0 C-N-CA 124.791 3.661 . . . . 0.0 115.226 172.303 . . . . . . . . 4 3 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.383 0.0 OUTLIER . . . . . 1 C--N 1.506 7.374 0 O-C-N 127.355 2.909 . . . . 0.0 116.686 -178.814 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 33.7 p-90 . . . . . 0 N--CA 1.521 3.082 0 CA-C-O 127.608 3.575 . . . . 0.0 120.421 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.278 1.9 mp -65.28 -47.89 75.09 Favored 'General case' 1 N--CA 1.59 6.531 0 O-C-N 118.759 -2.463 . . . . 0.0 112.573 -164.744 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.443 3.6 tp -89.55 -12.47 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.61 1 O-C-N 132.634 6.209 . . . . 0.0 109.785 -179.647 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 30' ' ' CYS 0.405 6.2 t -66.56 -62.86 1.24 Allowed 'General case' 1 N--CA 1.547 4.399 0 C-N-CA 127.977 2.511 . . . . 0.0 113.262 165.603 . . . . . . . . 4 3 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.527 ' OE1' ' HG2' ' A' ' 37' ' ' PRO 0.337 1.1 pt-20 -29.14 -66.53 0.09 Allowed 'General case' 0 C--N 1.276 -2.627 1 O-C-N 132.15 5.906 . . . . 0.0 121.733 -172.393 . . . . . . . . 4 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.656 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 15.3 tp10 -69.37 -61.37 3.3 Favored Pre-proline 1 CA--C 1.69 6.358 2 N-CA-C 125.078 5.214 . . . . 0.0 125.078 -168.024 . . . . . . . . 4 3 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' A' ' 6' ' ' GLU . 95.3 Cg_endo -72.11 -40.36 2.53 Favored 'Trans proline' 0 CA--C 1.486 -1.894 0 C-N-CA 124.536 3.491 . . . . 0.0 118.543 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.6 m -73.67 -46.21 47.88 Favored 'General case' 1 C--N 1.443 4.642 0 N-CA-C 117.055 2.242 . . . . 0.0 117.055 175.59 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.428 29.7 m -72.56 -40.89 66.3 Favored 'General case' 0 CA--C 1.623 3.776 0 CA-C-N 109.331 -3.577 . . . . 0.0 114.148 -170.518 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.22 -40.79 74.62 Favored 'General case' 1 CA--C 1.636 4.256 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 165.631 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -64.52 -39.87 94.57 Favored 'General case' 1 N--CA 1.55 4.553 0 CA-C-N 124.361 3.255 . . . . 0.0 105.99 168.063 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.526 0.3 OUTLIER -49.24 -30.24 6.86 Favored 'General case' 1 C--N 1.473 5.951 0 N-CA-C 121.602 3.927 . . . . 0.0 121.602 164.762 . . . . . . . . 4 3 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.432 28.6 m -56.24 -35.17 67.08 Favored 'General case' 0 C--N 1.414 3.382 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 179.075 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.21 -32.63 56.27 Favored 'General case' 0 C--N 1.391 2.392 0 CA-C-N 111.738 -2.483 . . . . 0.0 116.615 165.285 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.418 0.5 OUTLIER -49.48 -26.84 3.69 Favored 'General case' 1 N--CA 1.541 4.103 0 N-CA-C 118.824 2.898 . . . . 0.0 118.824 159.089 . . . . . . . . 4 3 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -40.73 86.62 Favored Pre-proline 1 N--CA 1.541 4.122 2 CA-C-O 108.937 -5.316 . . . . 0.0 113.435 -173.437 . . . . . . . . 4 3 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.436 6.1 Cg_exo -53.13 -52.34 8.99 Favored 'Trans proline' 0 CA--C 1.587 3.171 2 C-N-CA 129.896 7.064 . . . . 0.0 118.713 172.469 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.353 4.1 pp -67.64 -30.36 69.9 Favored 'General case' 1 N--CA 1.586 6.368 1 CA-C-N 104.209 -5.905 . . . . 0.0 118.632 -173.936 . . . . . . . . 4 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.278 7.1 tt0 62.26 58.35 1.79 Allowed 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 123.428 1.585 . . . . 0.0 114.445 172.827 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.498 0.8 OUTLIER -145.36 -29.79 0.43 Allowed 'General case' 1 N--CA 1.547 4.376 0 N-CA-C 117.699 2.481 . . . . 0.0 117.699 170.878 . . . . . . . . 4 3 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . 0.381 6.6 t -126.64 80.85 1.96 Allowed 'General case' 0 N--CA 1.496 1.874 1 N-CA-C 99.297 -4.334 . . . . 0.0 99.297 161.137 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.688 ' H ' ' HD3' ' A' ' 22' ' ' ARG 0.362 0.0 OUTLIER -88.12 -51.73 5.63 Favored 'General case' 1 N--CA 1.623 8.222 0 CA-C-N 111.832 -2.44 . . . . 0.0 116.36 164.072 . . . . . . . . 5 4 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 p -74.94 -59.93 2.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 118.064 -2.897 . . . . 0.0 112.292 160.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.08 117.48 4.3 Favored Glycine 1 CA--C 1.661 9.201 0 CA-C-O 113.684 -3.842 . . . . 0.0 112.996 -168.504 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -77.48 4.95 5.51 Favored 'Trans proline' 0 C--N 1.382 2.328 0 CA-C-N 122.35 3.075 . . . . 0.0 116.172 170.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.49 2.5 mp -84.43 -74.78 0.37 Allowed 'General case' 1 N--CA 1.609 7.478 0 CA-C-O 114.441 -2.695 . . . . 0.0 108.058 166.559 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.715 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 28.4 p -89.96 109.34 32.11 Favored Pre-proline 0 CA--C 1.567 1.631 0 C-N-CA 130.347 3.459 . . . . 0.0 107.38 169.185 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -67.21 114.18 3.13 Favored 'Trans proline' 1 CA--C 1.663 6.945 0 CA-C-N 121.583 1.601 . . . . 0.0 113.682 166.41 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.24 72.2 0.54 Allowed 'General case' 1 N--CA 1.574 5.761 2 O-C-N 135.206 7.816 . . . . 0.0 121.44 178.483 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.715 ' HB3' ' SG ' ' A' ' 27' ' ' CYS 0.343 44.3 t -115.11 -7.62 12.46 Favored 'General case' 0 CA--C 1.628 3.978 0 C-N-CA 125.219 1.407 . . . . 0.0 113.048 -166.903 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . 0.365 33.5 ttp -87.1 -30.85 20.8 Favored 'General case' 1 CA--C 1.634 4.196 0 CA-C-O 111.773 -3.965 . . . . 0.0 116.852 -161.21 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -70.16 -33.06 71.31 Favored 'General case' 0 CA--C 1.611 3.324 0 O-C-N 126.639 2.462 . . . . 0.0 114.619 -169.58 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.442 ' O ' ' HD2' ' A' ' 37' ' ' PRO 0.305 . . -67.8 -40.18 83.9 Favored 'General case' 1 N--CA 1.594 6.737 0 C-N-CA 131.143 3.777 . . . . 0.0 119.732 173.274 . . . . . . . . 4 3 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.257 26.9 m -39.56 -59.88 1.04 Allowed 'General case' 1 CA--C 1.71 7.097 0 C-N-CA 128.006 2.522 . . . . 0.0 107.452 160.472 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mp -47.63 -40.7 20.27 Favored 'General case' 2 CA--C 1.702 6.798 1 CA-C-O 109.72 -4.943 . . . . 0.0 110.039 178.549 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.358 4.6 mt-30 -65.83 -65.64 1.71 Allowed Pre-proline 2 N--CA 1.615 7.8 1 CA-C-O 111.668 -4.015 . . . . 0.0 106.467 170.394 . . . . . . . . 4 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HG2' ' OE1' ' A' ' 5' ' ' GLU 0.515 2.1 Cg_endo -58.0 -17.56 31.57 Favored 'Trans proline' 1 CA--C 1.604 4.015 1 CA-C-N 130.2 4.678 . . . . 0.0 116.655 -175.584 . . . . . . . . 5 3 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.351 1.7 pp20? . . . . . 2 CA--C 1.651 4.848 1 O-C-N 113.596 -5.69 . . . . 0.0 112.199 170.153 . . . . . . . . 3 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.379 6.0 p-90 . . . . . 0 N--CA 1.494 1.755 0 N-CA-C 119.143 3.016 . . . . 0.0 119.143 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mp -54.34 -44.5 72.18 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 167.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.279 6.6 tp -54.85 -36.75 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 163.35 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -61.17 -67.53 0.4 Allowed 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 116.998 -1.477 . . . . 0.0 111.625 167.466 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.286 3.7 pt-20 -51.24 -62.86 1.36 Allowed 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.669 1.577 . . . . 0.0 114.143 -170.236 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.27 8.1 tp10 -68.47 -68.19 0.66 Allowed Pre-proline 0 CA--C 1.576 1.971 0 CA-C-O 113.884 -2.96 . . . . 0.0 113.579 -177.535 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.266 10.6 Cg_endo -71.23 -57.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.375 1.953 0 CA-C-N 127.488 3.71 . . . . 0.0 115.344 -177.179 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.276 15.8 m -73.62 -38.44 65.07 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 120.294 3.442 . . . . 0.0 120.294 -174.554 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -72.06 -30.28 64.98 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -62.92 -39.46 94.61 Favored 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 165.368 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -63.69 -29.22 70.47 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 164.12 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.46 1.3 ptp180 -66.89 -28.73 68.56 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 120.766 1.621 . . . . 0.0 114.786 165.194 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.303 7.1 m -60.18 -28.2 67.75 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 159.844 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.328 1.4 mpt_? -65.19 -24.64 67.43 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 163.429 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -67.31 -27.57 67.27 Favored 'General case' 0 CA--C 1.58 2.119 0 CA-C-N 119.048 0.84 . . . . 0.0 111.207 162.32 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.259 6.2 tt -65.48 -36.83 16.04 Favored Pre-proline 0 N--CA 1.499 1.99 0 CA-C-O 115.663 -2.113 . . . . 0.0 112.708 -175.785 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -48.17 -32.27 18.63 Favored 'Trans proline' 0 CA--C 1.578 2.704 0 CA-C-N 125.302 2.929 . . . . 0.0 116.531 160.457 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -87.89 -46.04 9.75 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 167.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . 0.343 13.2 tt0 66.77 19.09 10.74 Favored 'General case' 0 CA--C 1.578 2.053 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 174.665 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . 0.307 29.6 p90 -83.25 -36.02 24.89 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 119.918 -1.739 . . . . 0.0 113.727 165.388 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.2 t -86.34 45.55 1.25 Allowed 'General case' 0 CA--C 1.58 2.104 0 O-C-N 120.701 -1.25 . . . . 0.0 113.809 166.005 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -46.14 79.86 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 169.02 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -67.24 -54.44 20.92 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 110.784 -2.916 . . . . 0.0 113.616 166.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.86 78.16 0.12 Allowed Glycine 0 CA--C 1.559 2.782 0 CA-C-O 116.029 -2.539 . . . . 0.0 119.325 169.475 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -68.26 69.41 0.97 Allowed 'Trans proline' 0 CA--C 1.575 2.568 0 CA-C-N 123.35 3.575 . . . . 0.0 118.786 -175.348 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -126.44 -52.41 1.49 Allowed 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 124.376 1.07 . . . . 0.0 112.409 -176.426 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 7.0 p -137.04 144.14 45.06 Favored Pre-proline 0 CA--C 1.58 2.133 0 CA-C-N 119.572 1.078 . . . . 0.0 113.333 -176.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -76.11 98.59 1.21 Allowed 'Trans proline' 0 CA--C 1.569 2.259 0 C-N-CA 122.631 2.221 . . . . 0.0 115.099 -174.446 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.31 47.53 18.96 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -179.718 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.528 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 48.7 t -99.62 -10.45 21.99 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 -169.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -74.12 -37.77 64.01 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 170.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -58.56 -36.86 74.59 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 169.065 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.1 -41.75 75.72 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 167.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.2 m -49.43 -36.71 23.17 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 165.758 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.418 0.9 OUTLIER -72.56 -26.02 61.57 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 168.56 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.8 -45.48 79.91 Favored Pre-proline 0 CA--C 1.59 2.502 0 CA-C-N 121.264 1.847 . . . . 0.0 110.469 161.544 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -72.95 -49.03 0.25 Allowed 'Trans proline' 0 CA--C 1.578 2.715 0 CA-C-N 123.459 2.271 . . . . 0.0 117.191 160.875 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 N--CA 1.49 1.531 0 CA-C-N 122.956 2.616 . . . . 0.0 112.825 -175.238 . . . . . . . . 0 0 . 1 stop_ save_