data_2lua_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 2lua _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 ' 12' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo . . . . . 0 N--CA 1.443 -1.448 0 N-CA-C 109.786 -0.89 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -124.54 144.41 50.14 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.9 p -135.54 166.44 23.19 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.972 -175.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -126.17 32.16 5.28 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.2 m -56.67 106.61 0.31 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.89 0.744 . . . . 0.0 110.844 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.595 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 -178.816 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.405 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 22.6 p . . . . . 0 N--CA 1.433 -1.297 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 m -57.87 -65.45 0.64 Allowed 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.888 0.375 . . . . 0.0 110.545 -177.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 59.2 m -89.5 -5.25 57.47 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 46.2 ttp180 -94.01 3.82 54.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.969 0.414 . . . . 0.0 111.411 -174.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -104.52 167.25 9.86 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.864 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.5 m -73.44 -1.52 18.7 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -173.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -82.48 -4.35 57.35 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.4 t -97.22 113.26 62.9 Favored Pre-proline 0 N--CA 1.437 -1.103 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -59.11 -35.46 97.95 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.102 2.535 . . . . 0.0 112.599 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.3 m -60.43 -55.35 34.64 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 123.36 0.664 . . . . 0.0 110.287 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -52.03 -54.83 25.28 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.045 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -64.4 -34.62 78.6 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.017 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.4 m -97.13 19.72 12.5 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 60.77 39.11 17.64 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -128.66 150.68 50.13 Favored 'General case' 0 CA--C 1.491 -1.323 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 p -79.29 162.21 25.78 Favored 'General case' 0 N--CA 1.417 -2.08 0 CA-C-N 113.563 -1.653 . . . . 0.0 110.662 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 88.3 m -90.06 75.71 7.07 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-O 122.36 1.076 . . . . 0.0 110.765 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.18 102.26 11.76 Favored 'General case' 0 C--N 1.286 -2.177 0 CA-C-N 113.877 -1.51 . . . . 0.0 110.089 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.74 14.28 27.62 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.129 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.1 m -94.18 171.31 8.92 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 120.997 0.427 . . . . 0.0 110.642 -176.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -119.77 44.69 2.33 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 174.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 12.1 p -88.7 140.85 29.03 Favored 'General case' 0 N--CA 1.423 -1.788 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.261 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.6 t -118.8 116.92 52.66 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.18 42.37 8.05 Favored Glycine 0 N--CA 1.428 -1.866 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -178.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.506 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 12.8 t -79.08 110.05 13.96 Favored 'General case' 0 N--CA 1.414 -2.272 0 CA-C-N 114.763 -0.718 . . . . 0.0 112.039 -176.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -112.47 93.72 4.57 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 105.152 -2.166 . . . . 0.0 105.152 166.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -110.27 116.98 52.38 Favored Pre-proline 0 C--N 1.296 -1.755 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -76.09 -8.11 18.59 Favored 'Trans proline' 0 C--O 1.239 0.527 0 C-N-CA 122.922 2.415 . . . . 0.0 112.76 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 . . . . . 0 CA--C 1.492 -1.252 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.343 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo . . . . . 0 C--O 1.234 0.287 0 N-CA-C 113.931 0.704 . . . . 0.0 113.931 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -126.55 152.81 46.07 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.5 p -138.51 169.31 18.02 Favored 'General case' 0 C--O 1.259 1.559 0 CA-C-O 121.022 0.439 . . . . 0.0 111.297 -175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -123.12 28.38 7.18 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.679 -1.146 . . . . 0.0 108.354 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.445 ' HB3' HG23 ' A' ' 27' ' ' THR . 86.3 m -52.98 134.05 37.99 Favored 'General case' 0 C--O 1.213 -0.863 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.865 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.789 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -176.724 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.445 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 0.3 OUTLIER . . . . . 0 CA--C 1.549 0.926 0 CA-C-O 121.265 0.555 . . . . 0.0 110.519 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.445 HG23 ' HB3' ' A' ' 16' ' ' CYS . 1.9 m -53.51 -62.84 1.39 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.025 1.73 . . . . 0.0 111.556 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -87.94 -4.58 58.81 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.338 0.589 . . . . 0.0 112.515 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.445 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 69.1 ttt180 -94.94 7.31 46.44 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.8 -175.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -119.12 168.68 10.62 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -74.55 -1.05 19.7 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -171.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -84.18 -12.44 54.89 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-O 121.525 0.679 . . . . 0.0 109.815 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.8 t -84.34 114.57 55.59 Favored Pre-proline 0 N--CA 1.434 -1.26 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 175.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.63 -27.09 84.11 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 123.073 2.515 . . . . 0.0 112.355 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.6 m -66.66 -61.69 1.84 Allowed 'General case' 0 CA--C 1.506 -0.738 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.378 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -53.41 -45.9 69.52 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.212 1.005 . . . . 0.0 110.77 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -66.79 -25.06 66.28 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.796 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.3 m -103.0 15.98 27.93 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.391 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 65.97 21.66 11.3 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.157 0.983 . . . . 0.0 112.091 176.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -103.74 163.06 12.57 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -177.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.3 p -91.27 170.21 10.18 Favored 'General case' 0 N--CA 1.418 -2.058 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.408 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 99.0 m -102.46 71.31 1.2 Allowed 'General case' 0 N--CA 1.418 -2.068 0 CA-C-O 121.817 0.818 . . . . 0.0 110.867 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.5 112.67 24.38 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 114.35 -1.295 . . . . 0.0 108.024 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.47 13.27 42.02 Favored Glycine 0 C--N 1.305 -1.172 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -175.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.9 m -96.31 165.47 12.19 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -120.54 27.09 8.76 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.1 p -69.88 144.07 52.61 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 113.774 -1.557 . . . . 0.0 112.075 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.96 127.33 71.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.09 47.25 11.48 Favored Glycine 0 CA--C 1.505 -0.544 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.1 t -91.34 110.07 21.36 Favored 'General case' 0 N--CA 1.409 -2.481 0 CA-C-O 121.279 0.561 . . . . 0.0 112.149 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 94.31 4.81 Favored 'General case' 0 N--CA 1.417 -2.104 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 167.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -107.5 117.78 54.98 Favored Pre-proline 0 C--N 1.289 -2.061 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.78 -21.95 71.83 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.214 2.609 . . . . 0.0 112.575 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 . . . . . 0 CA--C 1.501 -0.911 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.924 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo . . . . . 0 N--CA 1.449 -1.123 0 N-CA-C 108.665 -1.321 . . . . 0.0 108.665 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -109.49 133.08 53.52 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 p -120.72 161.11 21.99 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.694 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -126.53 34.1 4.87 Favored 'General case' 0 C--O 1.247 0.959 0 C-N-CA 124.059 0.943 . . . . 0.0 108.809 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.2 m -57.23 129.36 41.44 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.421 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.699 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.912 177.777 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.613 ' OG1' ' HA ' ' A' ' 50' ' ' CYS . 1.0 OUTLIER -46.04 -65.04 0.61 Allowed 'General case' 0 C--O 1.209 -1.073 0 C-N-CA 126.167 1.787 . . . . 0.0 113.84 -174.311 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.071 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 71.6 m -88.95 -4.16 58.52 Favored 'General case' 0 C--N 1.278 -2.54 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 49.2 ttt180 -108.1 28.79 7.92 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.797 0.808 . . . . 0.0 110.73 -175.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -127.83 167.63 16.29 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -63.72 -15.29 58.12 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -173.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -89.84 -0.93 57.85 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.65 -0.656 . . . . 0.0 111.773 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.0 t -91.99 118.82 68.41 Favored Pre-proline 0 C--O 1.243 0.724 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.582 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.71 -31.44 86.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 122.857 2.371 . . . . 0.0 112.447 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.8 m -64.61 -55.02 22.95 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 79.3 t80 -54.27 -52.24 62.04 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 124.498 1.119 . . . . 0.0 111.749 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -70.29 -26.52 63.84 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.461 -174.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 t -94.49 1.45 55.73 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.435 0.636 . . . . 0.0 109.396 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 64.27 33.27 11.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.612 1.165 . . . . 0.0 112.568 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -111.82 165.29 12.19 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.923 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -96.05 167.6 11.12 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 124.193 0.997 . . . . 0.0 113.127 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 91.2 m -94.69 75.87 3.71 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.542 -0.753 . . . . 0.0 112.213 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.58 109.38 21.02 Favored 'General case' 0 C--N 1.277 -2.574 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.463 172.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.46 12.87 56.67 Favored Glycine 0 C--O 1.24 0.513 0 C-N-CA 121.374 -0.441 . . . . 0.0 112.586 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.0 m -82.37 167.38 18.57 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 120.801 0.334 . . . . 0.0 111.054 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -114.28 11.71 17.46 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.5 p -72.91 142.98 47.88 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.823 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 t -111.22 124.48 68.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.474 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.55 54.68 35.12 Favored Glycine 0 CA--C 1.497 -1.062 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 1.071 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 11.3 p -89.1 131.68 35.14 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.785 -176.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 48.9 mmtm -106.2 95.12 5.55 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 171.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -109.72 119.82 46.7 Favored Pre-proline 0 C--N 1.294 -1.846 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -56.33 -31.03 83.34 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.998 2.466 . . . . 0.0 111.376 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 . . . . . 0 C--N 1.312 -1.044 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.319 -177.732 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo . . . . . 0 C--O 1.242 0.682 0 CA-C-O 120.786 0.244 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -112.46 119.68 39.06 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 121.439 0.637 . . . . 0.0 109.716 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -91.79 157.8 16.69 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.586 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.581 ' HD2' ' O ' ' A' ' 15' ' ' ARG . 3.0 tmm_? -124.96 41.13 3.59 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 73.0 m -65.22 138.35 58.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 113.679 -1.6 . . . . 0.0 110.831 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.052 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 174.157 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 p . . . . . 0 CA--C 1.519 -0.237 0 CA-C-O 120.837 0.351 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.446 HG23 ' HB3' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -47.95 -64.82 0.69 Allowed 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 126.049 1.74 . . . . 0.0 113.583 -174.461 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.7 m -87.34 -4.84 59.06 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 24.9 ttt180 -91.63 -7.09 51.01 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.984 0.421 . . . . 0.0 111.715 -175.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -107.51 173.96 6.09 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.503 -177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -66.75 -4.47 9.14 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -173.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -88.46 -0.87 57.67 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.329 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.8 t -101.15 113.76 65.8 Favored Pre-proline 0 N--CA 1.415 -2.176 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -62.04 -23.95 76.18 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 122.86 2.373 . . . . 0.0 112.08 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.1 m -69.38 -61.23 1.87 Allowed 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.732 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -52.58 -48.67 66.08 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 123.772 0.829 . . . . 0.0 111.954 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HZ3' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -68.26 -34.18 75.73 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.604 -175.042 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -97.55 18.58 15.12 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 69.93 17.01 7.58 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.648 1.179 . . . . 0.0 113.95 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -94.26 170.02 9.81 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 121.443 0.64 . . . . 0.0 112.027 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.0 p -101.58 165.22 11.35 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.074 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.623 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 65.9 m -106.06 14.69 27.46 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.48 109.23 7.79 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 173.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.13 11.86 24.99 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.151 -177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.623 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 75.2 m -97.4 -175.35 3.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.218 0.532 . . . . 0.0 110.876 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -118.45 36.57 4.34 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.52 ' SG ' ' HB3' ' A' ' 42' ' ' CYS . 7.5 p -93.41 130.51 39.19 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.443 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.6 t -113.51 123.89 69.61 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.185 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.56 36.68 10.31 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 108.986 -1.646 . . . . 0.0 108.986 -176.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.4 t -79.56 110.07 14.53 Favored 'General case' 0 N--CA 1.401 -2.924 0 CA-C-N 114.557 -0.822 . . . . 0.0 110.494 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 74.7 mmtt -114.75 93.06 4.16 Favored 'General case' 0 N--CA 1.409 -2.497 0 N-CA-C 104.143 -2.54 . . . . 0.0 104.143 168.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -111.21 114.73 53.22 Favored Pre-proline 0 C--N 1.291 -1.945 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -59.01 -5.08 2.45 Favored 'Trans proline' 0 CA--C 1.547 1.14 0 C-N-CA 124.278 3.319 . . . . 0.0 114.701 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 . . . . . 0 CA--C 1.486 -1.488 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 173.738 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo . . . . . 0 N--CA 1.439 -1.723 0 N-CA-C 109.031 -1.18 . . . . 0.0 109.031 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -108.12 112.07 24.42 Favored 'General case' 0 C--N 1.274 -2.696 0 CA-C-O 121.63 0.729 . . . . 0.0 109.733 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 p -81.09 145.08 31.27 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.777 -174.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -108.91 34.75 3.53 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.78 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 99.6 m -54.13 144.4 19.83 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 114.259 -1.337 . . . . 0.0 110.838 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.638 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -178.759 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 CA--C 1.553 1.092 0 CA-C-O 121.212 0.529 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.81 -58.3 7.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.996 0.919 . . . . 0.0 111.219 -177.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.533 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 84.4 m -87.91 -3.92 58.88 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 115.357 -0.838 . . . . 0.0 113.171 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 69.3 ttt180 -102.16 9.93 39.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.493 0.663 . . . . 0.0 110.893 -175.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.405 ' OD1' ' HB2' ' A' ' 32' ' ' ARG . 5.9 p30 -114.15 165.73 12.35 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.839 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.1 m -59.21 -19.67 47.39 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 124.541 1.137 . . . . 0.0 113.776 -174.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HB2' ' OD1' ' A' ' 30' ' ' ASN . 85.6 mtm180 -84.55 1.26 46.64 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.4 t -98.33 123.88 48.92 Favored Pre-proline 0 C--N 1.313 -1.021 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.21 -15.58 50.85 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.887 2.391 . . . . 0.0 112.666 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.48 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 93.6 m -80.42 -59.41 2.71 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.495 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.533 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 78.5 t80 -51.98 -55.45 20.32 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 123.851 0.86 . . . . 0.0 112.095 -179.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -71.19 -30.44 66.41 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.289 -172.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.5 m -103.88 14.68 30.31 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 64.75 33.25 10.49 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.48 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 47.9 m-80 -100.54 161.67 13.45 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 p -98.35 149.25 22.83 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.327 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.8 m -91.37 69.62 5.97 Favored 'General case' 0 CA--C 1.491 -1.325 0 CA-C-O 122.139 0.971 . . . . 0.0 110.47 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.54 108.68 10.42 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.53 8.02 44.22 Favored Glycine 0 C--N 1.3 -1.465 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -175.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 78.3 m -95.21 156.78 16.18 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -108.25 27.59 9.16 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.744 0.783 . . . . 0.0 109.757 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 7.6 p -72.1 131.55 42.98 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.939 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.4 t -104.58 126.52 59.37 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-N 114.256 -1.338 . . . . 0.0 107.775 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.01 51.44 7.65 Favored Glycine 0 N--CA 1.44 -1.048 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.432 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 7.2 t -92.27 123.83 35.89 Favored 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 115.254 -0.473 . . . . 0.0 111.21 -176.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 75.6 mmtt -122.51 93.77 4.08 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 167.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -111.55 118.53 46.93 Favored Pre-proline 0 C--N 1.287 -2.134 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -71.28 -13.14 30.67 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 122.068 1.845 . . . . 0.0 111.109 175.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 . . . . . 0 N--CA 1.437 -1.089 0 CA-C-O 121.724 0.773 . . . . 0.0 109.655 179.657 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 C--O 1.237 0.44 0 CA-C-O 120.802 0.251 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 9.9 mptt -112.62 114.21 26.72 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.0 p -93.21 153.37 18.65 Favored 'General case' 0 C--N 1.281 -2.385 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.687 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 15' ' ' ARG . 3.7 mpt_? -110.61 32.54 5.13 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.9 m -55.21 136.67 48.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.259 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.518 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . . . . . . 0 C--N 1.294 -1.78 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -47.2 -64.34 0.81 Allowed 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 126.123 1.769 . . . . 0.0 112.8 -174.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 100.0 m -88.27 -4.75 58.65 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.555 178.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 71.1 ttt180 -102.13 22.11 13.74 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.648 0.737 . . . . 0.0 111.171 -171.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -129.14 164.95 22.25 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.583 -0.698 . . . . 0.0 109.584 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 p -68.7 -1.35 6.77 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -173.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -95.24 -8.77 35.12 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.802 -0.561 . . . . 0.0 110.134 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.5 t -84.19 120.64 74.88 Favored Pre-proline 0 C--O 1.246 0.91 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.03 -23.68 73.98 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.198 2.599 . . . . 0.0 113.114 -175.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.3 m -76.55 -61.97 1.78 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.678 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.434 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 74.8 t80 -46.0 -55.44 6.85 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.63 1.572 . . . . 0.0 112.0 -178.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.575 ' O ' ' HE3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -63.79 -38.31 90.64 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.579 -175.568 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.1 m -90.8 15.59 10.92 Favored 'General case' 0 C--N 1.31 -1.145 0 O-C-N 122.094 -0.379 . . . . 0.0 112.008 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 65.45 21.23 11.83 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.257 1.023 . . . . 0.0 111.722 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -100.16 156.23 17.31 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.838 0.828 . . . . 0.0 111.314 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 p -93.69 172.06 8.49 Favored 'General case' 0 C--N 1.277 -2.567 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.607 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.424 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 69.8 m -111.43 14.71 21.48 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.24 111.94 5.5 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 174.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.07 -15.59 33.35 Favored Glycine 0 N--CA 1.434 -1.469 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.539 -174.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 73.2 m -76.95 152.42 35.29 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 175.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -94.67 19.28 10.15 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.111 0.481 . . . . 0.0 110.364 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 7.7 p -67.95 130.79 44.05 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.824 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.518 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 31.6 t -109.24 119.49 58.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -177.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.25 43.03 5.71 Favored Glycine 0 C--N 1.299 -1.507 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 -174.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.491 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 5.4 t -90.08 119.78 30.71 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 114.689 -0.756 . . . . 0.0 111.183 -177.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 31.7 mmmt -117.93 93.87 4.3 Favored 'General case' 0 C--N 1.288 -2.106 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 171.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -111.63 116.11 50.68 Favored Pre-proline 0 C--N 1.296 -1.732 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.82 -2.3 12.44 Favored 'Trans proline' 0 CA--C 1.55 1.31 0 C-N-CA 122.569 2.179 . . . . 0.0 112.472 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 . . . . . 0 C--N 1.318 -0.786 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 176.165 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo . . . . . 0 N--CA 1.472 0.263 0 CA-C-O 121.826 0.678 . . . . 0.0 113.636 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -118.81 153.08 35.07 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.446 -1.252 . . . . 0.0 113.137 -172.432 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.2 p -129.46 163.64 25.44 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.509 -174.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -115.21 32.36 6.1 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.037 0.935 . . . . 0.0 109.984 177.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.0 m -60.01 144.67 48.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.063 0.459 . . . . 0.0 111.306 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.335 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -178.632 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.446 -0.668 0 N-CA-C 111.353 0.131 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.436 ' OG1' ' HA ' ' A' ' 50' ' ' CYS . 0.3 OUTLIER -50.51 -65.99 0.46 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.847 0.859 . . . . 0.0 112.768 -175.804 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.082 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 93.3 m -89.45 -5.99 56.89 Favored 'General case' 0 N--CA 1.416 -2.156 0 CA-C-N 114.825 -1.08 . . . . 0.0 113.773 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -99.71 29.67 4.01 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.819 -171.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -133.29 174.2 10.64 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 121.735 -0.603 . . . . 0.0 109.668 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -70.66 -2.82 15.64 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -173.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -90.85 -10.14 43.78 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.376 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 50.8 t -94.04 117.37 67.16 Favored Pre-proline 0 N--CA 1.429 -1.48 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.096 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.76 -4.23 10.79 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 123.733 2.955 . . . . 0.0 112.847 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.522 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 71.7 m -89.24 -68.14 0.79 Allowed 'General case' 0 N--CA 1.42 -1.931 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.466 178.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -55.21 -51.65 65.89 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -174.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -70.13 -22.14 63.02 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.251 0.548 . . . . 0.0 111.057 -173.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.6 m -100.84 7.01 43.93 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.013 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 63.46 34.26 12.94 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.522 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 87.8 m-20 -103.46 168.4 9.18 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.223 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.1 p -108.46 169.08 8.87 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 122.798 0.439 . . . . 0.0 109.958 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.47 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 89.4 m -93.67 72.23 4.26 Favored 'General case' 0 N--CA 1.434 -1.253 0 CA-C-O 121.789 0.804 . . . . 0.0 110.69 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.76 104.27 13.21 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.22 177.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.67 14.31 47.4 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 119.976 -1.107 . . . . 0.0 111.324 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.47 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 78.0 m -81.95 168.13 18.2 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.263 0.554 . . . . 0.0 111.99 -178.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -119.86 29.05 7.75 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.2 p -92.54 150.97 20.42 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.696 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -121.57 123.19 68.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.386 -177.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.76 42.01 87.75 Favored Glycine 0 C--O 1.249 1.083 0 O-C-N 123.39 0.431 . . . . 0.0 112.208 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 1.082 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 8.1 p -85.04 138.59 32.34 Favored 'General case' 0 N--CA 1.426 -1.644 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.019 -174.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -106.67 94.24 5.02 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 171.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -111.01 120.42 43.41 Favored Pre-proline 0 N--CA 1.428 -1.557 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -60.15 -22.75 71.26 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.483 2.122 . . . . 0.0 111.925 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 CA--C 1.499 -1.007 0 CA-C-O 120.998 0.428 . . . . 0.0 111.562 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo . . . . . 0 C--O 1.239 0.559 0 N-CA-C 114.929 1.088 . . . . 0.0 114.929 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -134.46 152.85 52.06 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 113.494 -1.684 . . . . 0.0 107.144 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.0 p -137.51 170.54 15.89 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 120.883 0.373 . . . . 0.0 111.561 -173.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -127.71 27.58 5.74 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.194 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.1 m -56.97 106.92 0.35 Allowed 'General case' 0 C--O 1.211 -0.962 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.219 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.879 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -177.134 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 CA--C 1.569 1.688 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.24 -65.18 0.6 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.969 1.308 . . . . 0.0 112.367 -174.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 99.5 m -88.5 -4.4 58.62 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.148 177.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.482 ' HG3' ' CG ' ' A' ' 53' ' ' PRO . 62.4 ttt-85 -91.18 -1.14 57.78 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.577 -175.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -112.78 162.76 15.4 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.506 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m -67.59 -5.14 14.11 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -174.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -86.58 -3.58 59.05 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.422 0.63 . . . . 0.0 109.434 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.3 t -94.75 127.67 42.55 Favored Pre-proline 0 N--CA 1.439 -1.02 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.53 -35.13 83.5 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.517 2.145 . . . . 0.0 112.594 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.5 m -64.47 -57.67 8.57 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.581 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 86.9 t80 -52.16 -51.31 58.76 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 123.881 0.872 . . . . 0.0 111.803 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -64.13 -37.93 89.22 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 123.897 0.748 . . . . 0.0 110.366 -174.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.4 m -87.76 8.42 25.77 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 70.43 24.05 4.73 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.063 0.945 . . . . 0.0 112.948 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -103.92 161.37 14.03 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.241 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.0 p -100.76 168.87 9.39 Favored 'General case' 0 C--N 1.286 -2.161 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.495 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.5 m -95.27 73.27 3.33 Favored 'General case' 0 N--CA 1.418 -2.074 0 CA-C-O 122.33 1.062 . . . . 0.0 110.778 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.74 110.93 18.44 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 112.818 -1.992 . . . . 0.0 107.179 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.47 13.64 40.77 Favored Glycine 0 C--N 1.307 -1.057 0 C-N-CA 120.364 -0.922 . . . . 0.0 111.027 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.6 m -96.58 170.6 9.09 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 123.01 0.524 . . . . 0.0 109.713 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -120.07 44.34 2.45 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.969 0.89 . . . . 0.0 108.689 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.4 p -93.06 151.23 20.0 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.451 -1.249 . . . . 0.0 110.275 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.9 t -129.75 130.43 66.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.7 45.73 9.2 Favored Glycine 0 CA--C 1.5 -0.856 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.3 t -98.47 110.29 22.9 Favored 'General case' 0 N--CA 1.413 -2.299 0 CA-C-N 114.599 -0.8 . . . . 0.0 112.944 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 55.0 mtpt -113.54 95.3 5.28 Favored 'General case' 0 C--N 1.279 -2.492 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 167.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -106.13 115.08 61.74 Favored Pre-proline 0 C--N 1.298 -1.636 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.482 ' CG ' ' HG3' ' A' ' 29' ' ' ARG . 32.1 Cg_exo -62.11 -13.8 33.92 Favored 'Trans proline' 0 N--CA 1.478 0.566 0 C-N-CA 123.283 2.656 . . . . 0.0 113.208 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 . . . . . 0 N--CA 1.434 -1.273 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.925 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo . . . . . 0 N--CA 1.458 -0.565 0 N-CA-C 110.159 -0.747 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -125.31 150.0 47.54 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.408 ' C ' ' HD2' ' A' ' 15' ' ' ARG . 28.0 p -128.91 168.0 16.59 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.41 -175.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.408 ' HD2' ' C ' ' A' ' 14' ' ' CYS . 8.2 mpt_? -120.62 27.55 8.48 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.116 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.707 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 79.3 m -57.12 115.3 2.56 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.946 178.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.287 -2.185 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -178.338 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.43 -1.473 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.408 HG22 ' HB3' ' A' ' 16' ' ' CYS . 21.3 m -47.54 -64.77 0.7 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.707 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 34.6 m -87.69 -3.8 58.95 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -98.46 17.39 19.06 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 -171.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -129.6 176.19 8.19 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.156 -0.617 . . . . 0.0 111.255 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 m -62.17 -13.71 30.11 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.381 1.472 . . . . 0.0 114.05 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.38 1.77 57.04 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 122.022 -0.423 . . . . 0.0 111.832 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.9 t -101.33 112.29 64.86 Favored Pre-proline 0 N--CA 1.432 -1.348 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.24 -29.11 86.69 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 123.164 2.576 . . . . 0.0 112.341 -175.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.0 m -68.56 -61.83 1.65 Allowed 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.089 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -53.93 -52.17 61.45 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 124.36 1.037 . . . . 0.0 112.014 -176.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.469 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 10.3 tmtt? -63.56 -36.0 82.33 Favored 'General case' 0 N--CA 1.438 -1.05 0 O-C-N 124.059 0.85 . . . . 0.0 109.879 -174.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 m -91.62 16.84 9.71 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 120.971 0.415 . . . . 0.0 110.672 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 65.71 22.55 11.58 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.249 1.42 . . . . 0.0 114.688 173.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -95.75 170.0 9.62 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.648 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.453 ' HA ' ' OD1' ' A' ' 52' ' ' ASN . 32.5 p -96.46 168.87 10.29 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.144 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.611 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 59.8 m -109.52 12.13 24.58 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.191 0.519 . . . . 0.0 111.915 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.27 112.24 7.25 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 174.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.8 -3.65 34.09 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.943 -177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.516 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 72.9 m -82.49 -173.44 4.6 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.236 0.541 . . . . 0.0 109.56 176.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -120.2 26.58 9.14 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.611 ' SG ' ' HB3' ' A' ' 42' ' ' CYS . 7.7 p -77.37 143.79 38.45 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.604 -1.18 . . . . 0.0 112.384 -177.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.0 t -120.01 127.05 75.87 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 C-N-CA 124.546 1.139 . . . . 0.0 108.21 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.52 50.93 18.43 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -175.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.2 t -95.25 118.01 31.26 Favored 'General case' 0 N--CA 1.421 -1.88 0 CA-C-N 114.896 -0.652 . . . . 0.0 112.401 -175.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -110.21 94.2 4.89 Favored 'General case' 0 N--CA 1.421 -1.918 0 N-CA-C 105.694 -1.965 . . . . 0.0 105.694 168.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.453 ' OD1' ' HA ' ' A' ' 41' ' ' SER . 25.4 t-20 -111.01 104.99 56.94 Favored Pre-proline 0 C--N 1.293 -1.859 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -61.58 -2.51 2.68 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.303 2.669 . . . . 0.0 114.884 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.417 ' HB2' ' OD1' ' A' ' 52' ' ' ASN . 91.7 m-70 . . . . . 0 C--N 1.317 -0.822 0 CA-C-O 121.215 0.531 . . . . 0.0 109.725 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 N--CA 1.449 -1.147 0 CA-C-O 121.38 0.492 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -106.5 109.58 21.54 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.944 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.7 p -93.12 155.63 17.36 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.839 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -115.9 31.71 6.54 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.817 0.818 . . . . 0.0 110.191 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.1 m -59.62 111.98 1.63 Allowed 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.785 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.773 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 -177.712 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.409 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 6.1 p . . . . . 0 N--CA 1.444 -0.767 0 CA-C-O 120.452 0.168 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -65.55 0.54 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.543 1.137 . . . . 0.0 111.754 -176.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 95.6 m -89.2 -4.47 58.21 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.334 177.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.409 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 76.2 ttt180 -94.61 5.75 50.91 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.639 -173.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -118.59 167.1 11.94 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.419 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 m -67.39 -9.45 41.64 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -87.28 -4.12 59.06 Favored 'General case' 0 C--O 1.244 0.798 0 O-C-N 121.903 -0.498 . . . . 0.0 110.823 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 45.1 t -89.43 120.52 69.67 Favored Pre-proline 0 N--CA 1.424 -1.731 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.67 -15.62 49.83 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 123.055 2.503 . . . . 0.0 112.7 -176.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 77.6 m -82.7 -58.28 2.96 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.275 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.483 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 75.1 t80 -48.53 -59.91 3.12 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.782 1.233 . . . . 0.0 112.609 -178.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -71.09 -18.04 62.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.911 -173.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 m -104.14 11.85 34.61 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 120.999 0.428 . . . . 0.0 110.61 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 63.65 28.49 15.04 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.069 0.948 . . . . 0.0 112.709 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -100.09 165.84 11.31 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-O 121.534 0.683 . . . . 0.0 110.992 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -101.47 150.92 22.55 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.439 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.425 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 89.2 m -87.21 71.21 10.1 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 121.789 0.804 . . . . 0.0 110.545 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.76 108.49 16.4 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 113.82 -1.536 . . . . 0.0 108.348 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.94 3.2 45.72 Favored Glycine 0 C--N 1.308 -1.015 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 73.8 m -86.49 163.51 17.48 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.39 -0.405 . . . . 0.0 110.343 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -112.02 29.28 8.02 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 8.0 p -79.23 131.55 36.21 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.946 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.6 t -118.09 115.88 49.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.4 41.57 5.74 Favored Glycine 0 C--N 1.3 -1.461 0 N-CA-C 108.058 -2.017 . . . . 0.0 108.058 -173.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 6.7 t -81.05 109.41 15.6 Favored 'General case' 0 N--CA 1.42 -1.949 0 CA-C-N 114.338 -0.931 . . . . 0.0 111.171 -176.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -111.4 93.26 4.38 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 170.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -111.78 116.52 49.87 Favored Pre-proline 0 C--N 1.293 -1.851 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -75.47 1.04 8.4 Favored 'Trans proline' 0 C--N 1.326 -0.623 0 C-N-CA 122.318 2.012 . . . . 0.0 112.978 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 . . . . . 0 C--N 1.316 -0.854 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.099 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo . . . . . 0 C--O 1.239 0.563 0 CA-C-O 121.575 0.573 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -133.53 152.4 51.9 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.067 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 p -122.4 163.28 20.08 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.674 -176.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -127.44 37.31 4.25 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.031 0.932 . . . . 0.0 109.857 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 35.2 m -64.5 149.02 49.44 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.806 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.771 0 C-N-CA 119.544 -1.312 . . . . 0.0 112.895 174.061 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -41.12 -65.3 0.44 Allowed 'General case' 0 C--O 1.214 -0.786 0 C-N-CA 125.201 1.4 . . . . 0.0 113.634 -176.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.082 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 71.0 m -88.99 -5.02 58.24 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -95.21 -15.13 23.48 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 120.892 0.377 . . . . 0.0 111.634 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -92.87 162.06 14.24 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.502 -177.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 m -66.66 -15.78 63.73 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -173.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -78.38 -11.1 59.92 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.679 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' A' ' 28' ' ' CYS . 53.6 t -88.57 123.31 68.32 Favored Pre-proline 0 N--CA 1.415 -2.183 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 173.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.65 -32.92 96.64 Favored 'Trans proline' 0 CA--C 1.517 -0.371 0 C-N-CA 122.771 2.314 . . . . 0.0 111.586 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.504 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 65.5 m -60.62 -51.34 69.82 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -176.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.497 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 67.1 t80 -61.07 -46.67 89.71 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.081 0.467 . . . . 0.0 111.136 -177.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -75.4 -26.66 58.59 Favored 'General case' 0 N--CA 1.419 -2.007 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -102.85 3.08 36.23 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.691 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 63.9 39.85 7.85 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.656 1.182 . . . . 0.0 110.587 177.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 11.9 m120 -95.07 151.78 18.9 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.764 -178.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -99.17 148.93 23.58 Favored 'General case' 0 N--CA 1.408 -2.526 0 CA-C-N 115.37 -0.832 . . . . 0.0 108.807 177.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.68 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 67.4 m -87.54 24.72 1.61 Allowed 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -175.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.29 105.66 12.66 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.56 -4.92 34.93 Favored Glycine 0 N--CA 1.43 -1.707 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -176.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.68 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 97.0 m -79.09 156.92 28.11 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -105.49 19.22 20.93 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.594 0.711 . . . . 0.0 111.179 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 6.0 p -72.05 132.58 44.43 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.92 176.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.0 118.15 49.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.895 -177.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.42 52.42 35.54 Favored Glycine 0 N--CA 1.435 -1.403 0 O-C-N 123.961 0.788 . . . . 0.0 111.14 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 1.082 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 9.4 p -85.77 134.87 33.92 Favored 'General case' 0 N--CA 1.425 -1.68 0 C-N-CA 120.028 -0.669 . . . . 0.0 109.782 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -101.08 93.25 5.39 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 172.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -112.18 118.24 46.29 Favored Pre-proline 0 C--N 1.301 -1.503 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -60.0 -26.89 83.66 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 122.612 2.208 . . . . 0.0 111.884 174.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 . . . . . 0 C--N 1.32 -0.706 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -179.912 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.548 ' HD2' ' OD1' ' A' ' 40' ' ' ASN . 31.6 Cg_exo . . . . . 0 C--O 1.243 0.764 0 CA-C-O 121.193 0.414 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -135.98 152.32 50.83 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.9 p -137.6 157.02 47.4 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.289 0.566 . . . . 0.0 111.807 -174.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -119.77 38.23 3.97 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.03 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 59.4 m -67.13 161.11 25.33 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.861 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.256 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.963 174.046 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.434 -1.231 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.8 m -51.37 -66.72 0.34 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.999 1.32 . . . . 0.0 113.375 -173.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 65.2 m -90.58 -5.18 56.23 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 71.0 ttt180 -96.81 23.35 7.17 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.746 -171.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -128.78 164.23 23.47 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.3 m -69.35 -8.97 51.17 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -173.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.478 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.1 mmp_? -86.32 -1.18 57.29 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.688 -0.632 . . . . 0.0 110.995 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.2 t -94.46 118.11 66.98 Favored Pre-proline 0 N--CA 1.43 -1.428 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.66 -34.19 97.77 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.639 2.226 . . . . 0.0 112.532 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.5 m -63.36 -51.2 66.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.743 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -60.02 -44.98 94.25 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.318 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -78.01 -34.01 50.89 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -177.192 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.1 m -90.95 12.78 18.51 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 120.796 0.331 . . . . 0.0 111.44 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.492 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 31.0 m-85 59.49 54.57 4.54 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.548 ' OD1' ' HD2' ' A' ' 12' ' ' PRO . 1.3 m-80 -128.92 156.94 42.92 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 121.321 0.581 . . . . 0.0 111.703 176.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.14 160.07 14.86 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.876 175.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.4 m -90.28 73.26 7.1 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-O 122.037 0.922 . . . . 0.0 113.028 -173.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.39 123.89 51.28 Favored 'General case' 0 C--N 1.286 -2.196 0 CA-C-N 113.676 -1.602 . . . . 0.0 107.321 172.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.29 14.12 59.22 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.428 -0.891 . . . . 0.0 111.271 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 77.9 m -97.0 170.19 9.32 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.197 0.522 . . . . 0.0 110.805 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -114.88 19.06 16.13 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 16.5 p -70.78 125.18 26.11 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -176.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.8 t -99.29 128.25 51.18 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 113.657 -1.61 . . . . 0.0 108.267 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.89 41.39 72.82 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.458 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 8.7 t -75.09 109.64 8.73 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -176.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 12.3 mptt -107.18 92.14 3.95 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 166.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.408 ' ND2' ' HB2' ' A' ' 54' ' ' HIS . 51.6 t30 -112.85 115.96 48.03 Favored Pre-proline 0 C--N 1.281 -2.394 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 176.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.81 -9.3 25.75 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 121.89 1.727 . . . . 0.0 110.884 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' A' ' 39' ' ' TYR . 22.4 m-70 . . . . . 0 N--CA 1.422 -1.861 0 CA-C-O 122.166 0.984 . . . . 0.0 113.071 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo . . . . . 0 N--CA 1.448 -1.156 0 CA-C-O 121.191 0.413 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 60.2 mttp -128.07 153.02 47.27 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.182 -176.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 p -129.53 170.91 13.14 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 121.171 0.51 . . . . 0.0 111.533 -175.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -129.3 25.17 5.49 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.867 -1.06 . . . . 0.0 108.813 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 82.1 m -52.19 117.85 3.1 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.266 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.583 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -177.024 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.553 1.09 0 CA-C-O 120.95 0.405 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 m -64.23 -65.38 0.69 Allowed 'General case' 0 C--O 1.213 -0.827 0 CA-C-O 120.95 0.405 . . . . 0.0 110.844 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 57.1 m -89.6 -5.26 57.33 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 173.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -94.57 3.89 54.54 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 121.234 0.54 . . . . 0.0 111.531 -174.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -97.1 165.91 11.84 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.905 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.542 ' O ' ' HD2' ' A' ' 37' ' ' LYS . 4.4 p -65.66 -15.24 62.59 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -174.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtp-105 -85.46 0.59 51.85 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.953 -0.467 . . . . 0.0 110.921 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.2 t -89.47 110.89 42.24 Favored Pre-proline 0 N--CA 1.432 -1.356 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 174.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.74 -29.03 88.49 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.197 2.598 . . . . 0.0 112.581 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.0 m -67.76 -60.09 2.8 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -52.83 -50.17 64.26 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 124.761 1.225 . . . . 0.0 111.458 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.542 ' HD2' ' O ' ' A' ' 31' ' ' SER . 77.7 tttt -68.52 -25.12 64.78 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.678 -175.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.6 m -100.13 8.91 43.55 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 66.75 29.38 8.6 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.024 0.93 . . . . 0.0 112.93 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -109.28 159.83 16.63 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 120.913 0.387 . . . . 0.0 110.532 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.2 p -87.33 164.86 16.02 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.934 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 69.0 m -92.89 77.86 4.74 Favored 'General case' 0 N--CA 1.417 -2.077 0 CA-C-O 122.01 0.91 . . . . 0.0 109.471 177.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.94 105.86 13.75 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 113.871 -1.513 . . . . 0.0 109.297 174.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.414 ' O ' ' HD3' ' A' ' 13' ' ' LYS . . . 99.75 13.85 36.29 Favored Glycine 0 CA--C 1.499 -0.917 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.128 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.2 m -85.51 177.59 7.7 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.297 0.57 . . . . 0.0 110.204 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -119.66 24.4 10.63 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.492 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 13.7 p -71.46 141.53 50.22 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 114.269 -1.332 . . . . 0.0 110.569 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.9 t -119.08 113.91 42.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -176.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.68 52.33 4.46 Favored Glycine 0 N--CA 1.429 -1.811 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 -177.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.492 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 10.1 t -81.16 117.64 21.87 Favored 'General case' 0 N--CA 1.418 -2.074 0 C-N-CA 123.72 0.808 . . . . 0.0 112.092 -175.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 9.1 mptt -115.01 93.39 4.29 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 105.512 -2.032 . . . . 0.0 105.512 168.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -111.15 121.04 41.65 Favored Pre-proline 0 C--N 1.292 -1.908 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -66.68 -16.36 50.23 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 174.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 . . . . . 0 CA--C 1.491 -1.305 0 CA-C-O 122.104 0.954 . . . . 0.0 110.688 -179.077 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo . . . . . 0 C--O 1.247 0.956 0 CA-C-O 121.202 0.418 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 20.1 pttp -130.64 116.59 18.3 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 121.92 0.867 . . . . 0.0 110.351 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.3 p -110.01 158.28 18.42 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.186 -174.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HD2' ' N ' ' A' ' 15' ' ' ARG . 6.4 mpt_? -111.55 30.35 7.04 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.447 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 69.4 m -56.73 132.51 52.29 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.687 179.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.285 -2.254 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -175.69 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 N--CA 1.432 -1.336 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.439 HG21 ' HB3' ' A' ' 16' ' ' CYS . 3.7 m -49.39 -66.04 0.46 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.349 1.06 . . . . 0.0 112.111 -174.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 56.5 m -90.29 -4.99 56.8 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 174.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -93.98 -4.05 50.38 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -171.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -89.98 162.89 15.17 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.427 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.6 m -70.64 -0.56 8.95 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -174.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.515 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 3.2 mmp_? -103.7 4.06 34.95 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.415 -0.803 . . . . 0.0 111.072 177.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.1 t -88.88 120.02 69.97 Favored Pre-proline 0 C--O 1.244 0.808 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 174.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.93 -36.7 97.98 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 123.475 2.783 . . . . 0.0 112.976 -175.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 68.1 m -68.12 -57.31 6.28 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.134 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -52.41 -51.94 56.4 Favored 'General case' 0 C--N 1.312 -1.049 0 O-C-N 124.588 1.18 . . . . 0.0 112.155 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -66.83 -31.61 72.33 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 123.592 0.558 . . . . 0.0 109.876 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 t -89.56 6.39 41.32 Favored 'General case' 0 CA--C 1.554 1.1 0 O-C-N 122.176 -0.328 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 69.23 23.43 6.32 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.716 0.807 . . . . 0.0 113.014 176.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -103.5 152.99 21.03 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.771 0.32 . . . . 0.0 111.703 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 p -84.52 154.01 22.94 Favored 'General case' 0 C--O 1.253 1.241 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.706 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.512 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 49.3 m -92.99 14.17 18.49 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.25 111.1 4.95 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 173.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.96 10.67 25.92 Favored Glycine 0 C--N 1.309 -0.952 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.159 -176.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.413 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 77.7 m -98.7 177.29 5.35 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 175.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -107.85 23.27 14.73 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.566 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 18.6 p -78.64 140.25 38.43 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.528 -179.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.6 t -117.67 121.07 66.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.408 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.86 37.76 43.56 Favored Glycine 0 CA--C 1.498 -0.982 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.566 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 2.7 t -68.64 109.91 4.01 Favored 'General case' 0 N--CA 1.426 -1.666 0 CA-C-N 114.177 -1.012 . . . . 0.0 111.815 -178.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -101.05 93.49 5.52 Favored 'General case' 0 N--CA 1.422 -1.845 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 170.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -111.77 116.21 50.25 Favored Pre-proline 0 C--N 1.298 -1.649 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -66.68 -12.83 37.49 Favored 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 122.482 2.121 . . . . 0.0 112.545 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 . . . . . 0 CA--C 1.485 -1.524 0 CA-C-O 121.849 0.833 . . . . 0.0 112.833 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 CA--C 1.502 -1.091 0 CA-C-O 121.77 0.654 . . . . 0.0 113.652 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -132.77 152.63 51.73 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.331 -176.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.6 p -133.88 175.31 9.57 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.103 0.478 . . . . 0.0 110.893 -174.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -137.12 37.4 2.55 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.112 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 61.8 m -61.0 146.89 45.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.139 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.233 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.507 178.1 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.444 -0.74 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 p -52.15 -65.99 0.46 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.32 -1.309 . . . . 0.0 113.395 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.442 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 71.9 m -89.33 -4.7 58.0 Favored 'General case' 0 C--N 1.281 -2.383 0 CA-C-N 114.244 -1.344 . . . . 0.0 113.817 -176.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -96.72 -5.37 38.85 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.078 0.466 . . . . 0.0 111.646 -175.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -102.21 159.29 15.53 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.203 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.3 m -67.67 -6.96 23.09 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -173.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -89.04 -6.08 57.43 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 121.434 -0.791 . . . . 0.0 110.873 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 28' ' ' CYS . 53.7 t -83.46 124.96 75.11 Favored Pre-proline 0 N--CA 1.441 -0.921 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 175.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -57.84 -34.69 98.62 Favored 'Trans proline' 0 C--O 1.208 -1.015 0 C-N-CA 123.057 2.505 . . . . 0.0 112.307 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 79.6 m -64.8 -55.18 21.23 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 65.7 t80 -57.67 -49.2 77.29 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.136 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -70.83 -28.62 64.74 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.396 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -102.31 21.95 14.17 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.82 -0.55 . . . . 0.0 112.253 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 62.07 31.66 17.8 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 169.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -119.29 152.89 35.94 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -80.4 176.24 9.95 Favored 'General case' 0 N--CA 1.409 -2.488 0 CA-C-N 114.75 -1.113 . . . . 0.0 109.834 175.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 67.4 m -107.47 19.57 20.07 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -176.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.63 107.82 1.86 Allowed 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 172.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.59 14.0 22.77 Favored Glycine 0 N--CA 1.433 -1.514 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.562 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.2 m -99.8 172.71 7.08 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 117.231 0.516 . . . . 0.0 111.472 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -106.26 13.95 28.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.486 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 17.9 p -77.59 135.91 38.21 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.387 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.0 t -120.48 130.65 74.22 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.42 28.48 32.94 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 -176.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.445 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 2.9 t -75.87 113.73 13.69 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.858 1.263 . . . . 0.0 113.105 -175.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -106.46 94.18 5.0 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 104.624 -2.361 . . . . 0.0 104.624 168.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -110.78 111.81 56.48 Favored Pre-proline 0 C--N 1.287 -2.123 0 C-N-CA 119.126 -1.03 . . . . 0.0 108.849 175.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -65.41 -10.27 25.46 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.756 2.304 . . . . 0.0 112.279 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 . . . . . 0 N--CA 1.44 -0.957 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 176.113 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.439 ' HB2' ' HB2' ' A' ' 34' ' ' PRO . 4.0 Cg_exo . . . . . 0 N--CA 1.43 -2.262 0 N-CA-C 110.249 -0.712 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -111.62 116.4 30.74 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.296 -174.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 25.5 p -79.21 157.01 27.91 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.383 -1.281 . . . . 0.0 112.49 -172.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -125.97 27.9 6.24 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.669 -1.15 . . . . 0.0 108.445 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 38.8 m -55.56 126.69 26.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.117 -1.402 . . . . 0.0 111.418 -177.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.646 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.438 -1.041 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.7 -64.08 0.86 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.782 0.833 . . . . 0.0 113.154 -178.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.003 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 93.8 m -89.71 -4.79 57.55 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 176.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -98.91 29.94 3.59 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.64 0.733 . . . . 0.0 111.082 -171.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -132.29 161.96 32.19 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.2 m -69.01 -5.07 19.48 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -174.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -96.52 0.69 50.55 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.352 0.596 . . . . 0.0 110.013 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.1 t -92.32 122.59 64.38 Favored Pre-proline 0 N--CA 1.43 -1.453 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.658 ' O ' ' HB2' ' A' ' 38' ' ' SER . 16.2 Cg_endo -62.92 -9.78 17.91 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.383 2.722 . . . . 0.0 113.048 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 87.8 m -88.85 -50.35 6.27 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.024 175.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.517 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 59.9 t80 -63.16 -57.34 10.86 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.359 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 8.8 tmtm? -80.9 -37.92 28.88 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.92 -171.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.658 ' HB2' ' O ' ' A' ' 34' ' ' PRO . 19.2 m -87.07 1.31 53.35 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.159 0.504 . . . . 0.0 111.297 -177.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 62.27 63.89 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.356 1.062 . . . . 0.0 113.075 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -128.77 160.19 33.34 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.583 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 p -101.87 156.02 17.78 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 177.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.485 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 80.2 m -83.2 68.11 9.47 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.737 0.78 . . . . 0.0 111.589 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.5 96.28 7.03 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.165 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.21 10.83 59.2 Favored Glycine 0 C--N 1.31 -0.902 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.822 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.485 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 79.3 m -76.82 152.17 35.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -105.29 27.14 8.57 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 121.547 0.689 . . . . 0.0 111.317 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 p -76.04 146.32 39.53 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.222 174.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.6 t -104.82 116.74 49.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.498 -174.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.82 37.76 94.18 Favored Glycine 0 C--O 1.243 0.699 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.951 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 1.003 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 16.4 p -64.97 139.63 58.78 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.317 0.58 . . . . 0.0 111.598 -173.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -106.84 94.99 5.41 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 172.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -110.0 117.49 51.81 Favored Pre-proline 0 C--N 1.296 -1.726 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 177.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.28 -36.52 78.47 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.931 2.421 . . . . 0.0 112.828 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.9 p80 . . . . . 0 N--CA 1.42 -1.934 0 CA-C-O 122.143 0.973 . . . . 0.0 112.571 -177.733 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo . . . . . 0 N--CA 1.442 -1.504 0 N-CA-C 109.54 -0.985 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -102.24 110.34 22.27 Favored 'General case' 0 C--N 1.278 -2.539 0 CA-C-O 122.143 0.973 . . . . 0.0 110.894 -173.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.688 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 11.5 p -85.19 139.92 31.3 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-N 114.356 -1.293 . . . . 0.0 111.482 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -113.7 38.4 2.96 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -175.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.688 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 50.2 m -63.11 153.37 34.4 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 113.157 -1.838 . . . . 0.0 110.988 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.462 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . . . . . . 0 CA--C 1.496 -1.156 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.614 176.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -46.36 -64.15 0.83 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.055 1.742 . . . . 0.0 112.257 -176.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 60.0 m -86.67 -3.6 59.06 Favored 'General case' 0 C--O 1.205 -1.273 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 178.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 77.6 ttt180 -102.6 16.58 26.0 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 121.676 0.751 . . . . 0.0 111.182 -176.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -128.82 165.27 21.32 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.683 -1.26 . . . . 0.0 110.929 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 m -64.28 -11.37 31.08 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -173.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.2 mtt85 -80.3 -12.13 59.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 50.3 t -90.04 116.47 66.44 Favored Pre-proline 0 N--CA 1.436 -1.146 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.74 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.17 -12.23 31.73 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.116 2.544 . . . . 0.0 112.325 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 11.1 t -85.55 -46.48 10.79 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.507 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 78.9 t80 -66.79 -47.3 72.54 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.916 -178.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -73.58 -11.62 60.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.28 0.562 . . . . 0.0 110.551 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -99.32 4.72 46.54 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 61.65 27.22 16.7 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 125.498 1.519 . . . . 0.0 111.31 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -96.44 155.74 16.64 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.23 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 p -89.87 152.79 21.08 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.062 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.499 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 80.5 m -85.1 73.76 10.6 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 122.163 0.983 . . . . 0.0 110.901 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.47 107.78 18.97 Favored 'General case' 0 C--N 1.275 -2.636 0 CA-C-N 113.75 -1.568 . . . . 0.0 108.543 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.02 2.75 68.61 Favored Glycine 0 C--N 1.31 -0.889 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.819 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.499 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 65.7 m -78.58 150.38 32.78 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -103.0 27.86 6.75 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.747 0.784 . . . . 0.0 110.204 -178.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.514 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 14.3 p -76.14 139.32 41.24 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.818 -1.083 . . . . 0.0 112.67 -177.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.462 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 43.2 t -115.0 141.15 32.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 178.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.7 48.21 63.31 Favored Glycine 0 C--O 1.238 0.4 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.4 t -100.21 125.03 46.32 Favored 'General case' 0 N--CA 1.411 -2.389 0 CA-C-N 114.902 -0.649 . . . . 0.0 111.442 -174.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 95.3 mttt -124.39 94.9 4.34 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 169.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -109.18 112.08 59.81 Favored Pre-proline 0 C--N 1.299 -1.599 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.53 -25.99 54.84 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.417 2.078 . . . . 0.0 111.472 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 . . . . . 0 CA--C 1.495 -1.138 0 CA-C-O 121.182 0.515 . . . . 0.0 110.173 -176.645 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo . . . . . 0 N--CA 1.456 -0.706 0 CA-C-O 121.408 0.503 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -135.92 152.95 51.52 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.001 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.0 p -141.31 160.99 38.97 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-O 121.063 0.459 . . . . 0.0 111.0 -172.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -123.28 34.82 5.01 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.8 m -54.49 142.94 25.64 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.547 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.551 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -177.702 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.439 -1.023 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.11 -66.49 0.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.428 1.491 . . . . 0.0 111.499 -175.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 94.6 m -90.53 -4.24 57.05 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.912 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -95.72 -2.45 47.86 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.951 -171.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -103.56 161.5 13.84 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.644 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -64.78 -8.67 15.91 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -174.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -93.89 3.95 54.63 Favored 'General case' 0 C--O 1.244 0.806 0 O-C-N 121.957 -0.464 . . . . 0.0 111.498 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.6 t -90.0 119.77 69.33 Favored Pre-proline 0 N--CA 1.427 -1.581 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 171.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.03 -23.97 78.56 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 C-N-CA 122.778 2.319 . . . . 0.0 112.754 -173.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 80.8 m -75.02 -58.39 3.31 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -49.24 -55.33 12.95 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 124.957 1.303 . . . . 0.0 112.912 -176.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -72.92 -16.38 61.55 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.442 -174.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.2 m -103.81 15.62 28.29 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 70.22 21.96 5.68 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.237 1.015 . . . . 0.0 113.229 175.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -111.41 152.53 27.25 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.566 ' HA ' ' OD1' ' A' ' 52' ' ' ASN . 0.9 OUTLIER -90.99 178.07 6.11 Favored 'General case' 0 N--CA 1.396 -3.169 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.834 178.268 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 96.4 m -111.42 19.11 18.54 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -173.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.22 116.26 12.44 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.39 -0.924 . . . . 0.0 108.71 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.03 -10.4 34.13 Favored Glycine 0 C--N 1.308 -0.989 0 C-N-CA 121.463 -0.399 . . . . 0.0 112.502 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.9 m -78.88 179.46 7.25 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -116.69 18.64 14.86 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-O 121.415 0.626 . . . . 0.0 109.996 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.4 p -67.78 140.66 56.67 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.885 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -116.1 130.47 70.78 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.203 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.54 42.91 31.69 Favored Glycine 0 CA--C 1.492 -1.368 0 N-CA-C 109.156 -1.578 . . . . 0.0 109.156 -175.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.3 t -82.69 109.31 16.75 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -174.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -105.79 93.92 4.9 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 166.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.566 ' OD1' ' HA ' ' A' ' 41' ' ' SER . 26.1 t-20 -111.05 115.38 52.92 Favored Pre-proline 0 C--N 1.29 -1.999 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 176.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -65.86 -6.81 15.02 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.149 2.566 . . . . 0.0 114.526 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 . . . . . 0 C--N 1.305 -1.335 0 CA-C-O 121.43 0.633 . . . . 0.0 110.656 -179.419 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo . . . . . 0 N--CA 1.462 -0.364 0 CA-C-O 121.122 0.384 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -123.19 147.49 46.81 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.23 164.79 26.59 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.019 -172.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.72 26.11 9.93 Favored 'General case' 0 C--O 1.249 1.041 0 C-N-CA 124.126 0.97 . . . . 0.0 108.878 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.406 ' HB3' HG21 ' A' ' 27' ' ' THR . 70.8 m -55.14 134.71 49.6 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.03 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . . . . . . 0 C--N 1.299 -1.481 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.535 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 1.4 p . . . . . 0 N--CA 1.428 -1.544 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.406 HG21 ' HB3' ' A' ' 16' ' ' CYS . 0.2 OUTLIER -53.84 -65.16 0.62 Allowed 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 123.631 0.773 . . . . 0.0 111.689 -176.058 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 95.6 m -89.02 -3.9 58.56 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 177.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.535 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 62.4 ttt180 -99.54 8.81 44.17 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.386 -173.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -115.96 171.1 7.99 Favored 'General case' 0 C--N 1.31 -1.125 0 O-C-N 121.379 -0.826 . . . . 0.0 109.342 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -70.53 -7.03 40.64 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -172.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -87.29 -11.61 49.05 Favored 'General case' 0 CA--C 1.505 -0.777 0 O-C-N 121.909 -0.494 . . . . 0.0 110.375 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.4 t -86.88 114.92 60.55 Favored Pre-proline 0 N--CA 1.417 -2.098 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 176.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.08 -25.26 77.23 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.311 2.674 . . . . 0.0 111.992 -175.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.8 m -70.83 -58.89 3.16 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.408 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.5 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 83.5 t80 -56.28 -45.11 80.3 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.947 0.899 . . . . 0.0 111.797 -178.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -74.13 -10.2 59.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.705 0.764 . . . . 0.0 110.462 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 t -106.01 3.64 28.5 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 176.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 64.82 22.45 12.53 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.102 0.961 . . . . 0.0 111.889 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -103.28 160.8 14.36 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.403 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 p -86.0 176.05 8.25 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.628 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 95.6 m -103.76 70.44 1.01 Allowed 'General case' 0 N--CA 1.418 -2.026 0 CA-C-O 121.578 0.704 . . . . 0.0 110.959 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.64 105.28 15.07 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.628 175.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.44 13.83 23.46 Favored Glycine 0 N--CA 1.437 -1.252 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.119 -177.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.8 m -95.58 169.22 10.19 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-O 121.309 0.576 . . . . 0.0 109.96 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -117.56 25.51 10.36 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.4 p -75.3 145.26 41.96 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.451 -1.25 . . . . 0.0 112.256 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.449 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 87.4 t -119.28 135.22 60.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 C-N-CA 125.178 1.391 . . . . 0.0 107.622 -179.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.41 40.69 91.46 Favored Glycine 0 C--O 1.245 0.794 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -178.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.6 t -76.86 109.76 10.92 Favored 'General case' 0 N--CA 1.413 -2.307 0 CA-C-N 114.213 -0.993 . . . . 0.0 111.626 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 34.4 mmtp -108.36 93.24 4.42 Favored 'General case' 0 N--CA 1.413 -2.29 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 168.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -112.7 118.87 44.32 Favored Pre-proline 0 C--N 1.286 -2.191 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 175.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.18 -25.73 79.15 Favored 'Trans proline' 0 C--O 1.242 0.703 0 C-N-CA 122.366 2.044 . . . . 0.0 111.499 174.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 . . . . . 0 N--CA 1.435 -1.2 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.934 179.355 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 CA--C 1.529 0.267 0 CA-C-O 121.566 0.569 . . . . 0.0 113.384 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -132.58 150.86 52.09 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 115.203 -0.908 . . . . 0.0 108.694 179.666 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.2 p -144.62 167.44 22.53 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 -125.43 24.85 7.21 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -176.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m -57.22 107.75 0.45 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.55 -1.204 . . . . 0.0 110.277 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . . . . . . 0 C--N 1.297 -1.626 0 C-N-CA 119.76 -1.21 . . . . 0.0 112.557 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 CA--C 1.55 0.974 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -66.04 0.5 Allowed 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 124.742 1.217 . . . . 0.0 110.543 -178.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.6 m -90.4 -5.56 56.01 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.044 -0.98 . . . . 0.0 113.543 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -96.33 -1.68 47.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.25 0.547 . . . . 0.0 112.422 -174.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -87.34 160.21 18.47 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.009 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -71.82 -2.36 17.45 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -99.72 3.73 45.13 Favored 'General case' 0 N--CA 1.438 -1.026 0 O-C-N 121.981 -0.449 . . . . 0.0 110.545 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.2 t -85.92 118.34 70.33 Favored Pre-proline 0 N--CA 1.435 -1.192 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 173.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.82 -33.19 94.0 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.804 2.336 . . . . 0.0 112.659 -174.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.9 m -68.76 -54.09 18.05 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.602 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -53.52 -51.47 62.75 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 124.414 1.086 . . . . 0.0 111.765 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -26.59 63.37 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.854 0.359 . . . . 0.0 111.211 -177.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.8 t -84.99 -3.49 58.79 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.519 ' HD1' ' CE1' ' A' ' 54' ' ' HIS . 47.6 m-85 68.48 21.09 8.29 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.675 1.19 . . . . 0.0 111.265 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -97.6 166.26 11.59 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.127 -178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 p -90.51 165.46 13.78 Favored 'General case' 0 N--CA 1.418 -2.062 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.868 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 96.7 m -95.02 69.56 3.25 Favored 'General case' 0 N--CA 1.429 -1.52 0 CA-C-O 122.057 0.932 . . . . 0.0 110.764 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.61 113.35 25.91 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 113.888 -1.505 . . . . 0.0 108.01 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.02 14.17 40.41 Favored Glycine 0 N--CA 1.435 -1.416 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 71.6 m -95.42 168.63 10.59 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-O 121.119 0.485 . . . . 0.0 110.744 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.76 26.13 9.54 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.0 p -80.71 143.68 32.8 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.567 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.465 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 60.7 t -130.44 116.97 37.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -175.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.57 39.3 6.74 Favored Glycine 0 C--N 1.303 -1.285 0 N-CA-C 108.526 -1.83 . . . . 0.0 108.526 -173.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.6 t -81.59 109.85 16.42 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 114.222 -0.989 . . . . 0.0 112.765 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -109.24 92.61 4.12 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 168.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -113.04 112.71 49.84 Favored Pre-proline 0 C--N 1.306 -1.313 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.686 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.22 -13.58 33.68 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.245 1.963 . . . . 0.0 111.683 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.519 ' CE1' ' HD1' ' A' ' 39' ' ' TYR . 86.3 m-70 . . . . . 0 CA--C 1.488 -1.413 0 CA-C-O 121.916 0.865 . . . . 0.0 110.908 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -73.05 168.34 24.99 Favored 'Trans proline' 0 C--O 1.25 1.08 0 C-N-CA 122.556 2.171 . . . . 0.0 111.344 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -63.71 126.7 18.0 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.862 1.708 . . . . 0.0 109.645 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -104.48 111.97 65.29 Favored Pre-proline 0 C--N 1.305 -1.33 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -74.41 150.51 41.37 Favored 'Trans proline' 0 N--CA 1.443 -1.448 0 C-N-CA 122.403 2.069 . . . . 0.0 109.786 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -124.54 144.41 50.14 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.9 p -135.54 166.44 23.19 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.972 -175.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -126.17 32.16 5.28 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.2 m -56.67 106.61 0.31 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.89 0.744 . . . . 0.0 110.844 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 128.48 -43.43 1.32 Allowed Glycine 0 C--N 1.297 -1.595 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 mm -79.16 -35.38 17.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 175.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.2 p -149.48 179.53 7.89 Favored 'General case' 0 C--O 1.257 1.482 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.315 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.37 -98.98 2.12 Favored Glycine 0 N--CA 1.43 -1.746 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -149.82 109.33 4.0 Favored 'General case' 0 N--CA 1.425 -1.689 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.3 m -84.8 129.29 34.84 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 176.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -140.5 -164.85 1.8 Allowed 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -175.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.6 m -101.32 -60.48 1.52 Allowed 'General case' 0 N--CA 1.438 -1.062 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 84.1 mt -108.07 -38.99 5.64 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.472 0.653 . . . . 0.0 110.215 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.405 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 22.6 p -80.37 13.05 2.59 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -172.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 m -57.87 -65.45 0.64 Allowed 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.888 0.375 . . . . 0.0 110.545 -177.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 59.2 m -89.5 -5.25 57.47 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 46.2 ttp180 -94.01 3.82 54.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.969 0.414 . . . . 0.0 111.411 -174.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -104.52 167.25 9.86 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.864 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.5 m -73.44 -1.52 18.7 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -173.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -82.48 -4.35 57.35 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.4 t -97.22 113.26 62.9 Favored Pre-proline 0 N--CA 1.437 -1.103 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -59.11 -35.46 97.95 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.102 2.535 . . . . 0.0 112.599 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.3 m -60.43 -55.35 34.64 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 123.36 0.664 . . . . 0.0 110.287 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -52.03 -54.83 25.28 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.045 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -64.4 -34.62 78.6 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.017 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.4 m -97.13 19.72 12.5 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 60.77 39.11 17.64 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -128.66 150.68 50.13 Favored 'General case' 0 CA--C 1.491 -1.323 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 p -79.29 162.21 25.78 Favored 'General case' 0 N--CA 1.417 -2.08 0 CA-C-N 113.563 -1.653 . . . . 0.0 110.662 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 88.3 m -90.06 75.71 7.07 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-O 122.36 1.076 . . . . 0.0 110.765 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.18 102.26 11.76 Favored 'General case' 0 C--N 1.286 -2.177 0 CA-C-N 113.877 -1.51 . . . . 0.0 110.089 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.74 14.28 27.62 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.129 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.1 m -94.18 171.31 8.92 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 120.997 0.427 . . . . 0.0 110.642 -176.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -119.77 44.69 2.33 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 174.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 12.1 p -88.7 140.85 29.03 Favored 'General case' 0 N--CA 1.423 -1.788 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.261 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.6 t -118.8 116.92 52.66 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.18 42.37 8.05 Favored Glycine 0 N--CA 1.428 -1.866 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -178.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.506 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 12.8 t -79.08 110.05 13.96 Favored 'General case' 0 N--CA 1.414 -2.272 0 CA-C-N 114.763 -0.718 . . . . 0.0 112.039 -176.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 25' ' ' LEU . 12.7 mptt -112.47 93.72 4.57 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 105.152 -2.166 . . . . 0.0 105.152 166.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -110.27 116.98 52.38 Favored Pre-proline 0 C--N 1.296 -1.755 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -76.09 -8.11 18.59 Favored 'Trans proline' 0 C--O 1.239 0.527 0 C-N-CA 122.922 2.415 . . . . 0.0 112.76 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -88.44 82.07 7.06 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -89.59 132.92 34.86 Favored 'General case' 0 C--N 1.285 -2.216 0 N-CA-C 104.081 -2.562 . . . . 0.0 104.081 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.18 125.69 24.64 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 118.795 0.725 . . . . 0.0 111.664 -175.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.91 100.68 2.49 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.009 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -124.21 91.71 3.51 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.299 -1.626 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.662 -179.248 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.239 0.525 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -61.21 118.85 5.75 Favored 'Trans proline' 0 C--O 1.245 0.831 0 C-N-CA 122.919 2.412 . . . . 0.0 113.032 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -70.61 145.31 51.93 Favored 'Trans proline' 0 C--O 1.249 1.052 0 C-N-CA 122.543 2.162 . . . . 0.0 109.656 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HB2' ' HZ3' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -97.95 117.01 65.61 Favored Pre-proline 0 N--CA 1.434 -1.245 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.969 -177.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.94 150.91 52.45 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.454 2.769 . . . . 0.0 113.931 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -126.55 152.81 46.07 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.5 p -138.51 169.31 18.02 Favored 'General case' 0 C--O 1.259 1.559 0 CA-C-O 121.022 0.439 . . . . 0.0 111.297 -175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -123.12 28.38 7.18 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.679 -1.146 . . . . 0.0 108.354 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.445 ' HB3' HG23 ' A' ' 27' ' ' THR . 86.3 m -52.98 134.05 37.99 Favored 'General case' 0 C--O 1.213 -0.863 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.865 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.92 -40.06 2.67 Favored Glycine 0 C--N 1.294 -1.789 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.1 mt -89.07 -41.54 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.098 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 174.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.9 m -153.42 110.72 3.48 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.548 -1.206 . . . . 0.0 109.201 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -174.87 -60.76 0.05 OUTLIER Glycine 0 C--N 1.312 -0.805 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 177.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.0 p -169.03 160.33 9.87 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.5 t -91.16 80.52 5.63 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -155.05 147.85 24.45 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 p -105.51 -11.58 16.34 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -176.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -124.16 -47.76 1.88 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.445 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -85.21 12.52 7.83 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 121.681 -0.637 . . . . 0.0 110.519 -176.742 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.445 HG23 ' HB3' ' A' ' 16' ' ' CYS . 1.9 m -53.51 -62.84 1.39 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.025 1.73 . . . . 0.0 111.556 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -87.94 -4.58 58.81 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.338 0.589 . . . . 0.0 112.515 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.445 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 69.1 ttt180 -94.94 7.31 46.44 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.8 -175.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -119.12 168.68 10.62 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -74.55 -1.05 19.7 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -171.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -84.18 -12.44 54.89 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-O 121.525 0.679 . . . . 0.0 109.815 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.8 t -84.34 114.57 55.59 Favored Pre-proline 0 N--CA 1.434 -1.26 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 175.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.63 -27.09 84.11 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 123.073 2.515 . . . . 0.0 112.355 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.6 m -66.66 -61.69 1.84 Allowed 'General case' 0 CA--C 1.506 -0.738 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.378 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -53.41 -45.9 69.52 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.212 1.005 . . . . 0.0 110.77 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -66.79 -25.06 66.28 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.796 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.3 m -103.0 15.98 27.93 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.391 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 65.97 21.66 11.3 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.157 0.983 . . . . 0.0 112.091 176.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -103.74 163.06 12.57 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -177.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.3 p -91.27 170.21 10.18 Favored 'General case' 0 N--CA 1.418 -2.058 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.408 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 99.0 m -102.46 71.31 1.2 Allowed 'General case' 0 N--CA 1.418 -2.068 0 CA-C-O 121.817 0.818 . . . . 0.0 110.867 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.5 112.67 24.38 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 114.35 -1.295 . . . . 0.0 108.024 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.47 13.27 42.02 Favored Glycine 0 C--N 1.305 -1.172 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -175.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.9 m -96.31 165.47 12.19 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -120.54 27.09 8.76 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.1 p -69.88 144.07 52.61 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 113.774 -1.557 . . . . 0.0 112.075 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.96 127.33 71.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.09 47.25 11.48 Favored Glycine 0 CA--C 1.505 -0.544 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.1 t -91.34 110.07 21.36 Favored 'General case' 0 N--CA 1.409 -2.481 0 CA-C-O 121.279 0.561 . . . . 0.0 112.149 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 94.31 4.81 Favored 'General case' 0 N--CA 1.417 -2.104 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 167.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -107.5 117.78 54.98 Favored Pre-proline 0 C--N 1.289 -2.061 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.78 -21.95 71.83 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.214 2.609 . . . . 0.0 112.575 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -84.97 93.27 8.53 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.4 88.84 5.23 Favored 'General case' 0 C--N 1.282 -2.347 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 176.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -94.69 85.05 4.36 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.272 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -173.54 113.35 0.21 Allowed 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.295 23.0 p90 -78.04 70.3 4.38 Favored 'General case' 0 C--N 1.29 -2.016 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -172.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.421 -1.902 0 N-CA-C 104.524 -2.398 . . . . 0.0 104.524 174.244 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.0 m . . . . . 0 N--CA 1.437 -1.109 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.86 165.11 30.64 Favored 'Trans proline' 0 C--O 1.247 0.973 0 C-N-CA 122.344 2.03 . . . . 0.0 111.883 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.93 151.4 81.46 Favored 'Trans proline' 0 C--O 1.243 0.769 0 C-N-CA 122.753 2.302 . . . . 0.0 110.903 175.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -74.36 122.31 87.22 Favored Pre-proline 0 C--N 1.305 -1.342 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.325 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -70.29 144.47 51.32 Favored 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 122.061 1.841 . . . . 0.0 108.665 171.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -109.49 133.08 53.52 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 p -120.72 161.11 21.99 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.694 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -126.53 34.1 4.87 Favored 'General case' 0 C--O 1.247 0.959 0 C-N-CA 124.059 0.943 . . . . 0.0 108.809 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 20' ' ' GLY . 64.2 m -57.23 129.36 41.44 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.421 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.52 -33.86 6.06 Favored Glycine 0 N--CA 1.431 -1.699 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.912 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.8 mt -87.86 -54.98 6.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.381 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.5 p -136.34 -47.08 0.63 Allowed 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.172 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.533 ' O ' ' HA ' ' A' ' 16' ' ' CYS . . . -78.33 144.25 28.06 Favored Glycine 0 N--CA 1.431 -1.69 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 178.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.2 m 69.02 117.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.165 0.986 . . . . 0.0 112.067 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m -78.6 -29.65 46.16 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.139 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.446 ' HB3' ' HB ' ' A' ' 26' ' ' THR . 18.2 m120 -67.24 109.68 3.19 Favored 'General case' 0 CA--C 1.498 -1.036 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 173.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -91.12 -15.34 29.58 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.394 0.616 . . . . 0.0 110.678 -175.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.0 mt -106.71 -35.58 6.96 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.778 0.799 . . . . 0.0 108.991 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.446 ' HB ' ' HB3' ' A' ' 23' ' ' ASN . 2.8 m -98.95 34.74 2.03 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.613 ' OG1' ' HA ' ' A' ' 50' ' ' CYS . 1.0 OUTLIER -46.04 -65.04 0.61 Allowed 'General case' 0 C--O 1.209 -1.073 0 C-N-CA 126.167 1.787 . . . . 0.0 113.84 -174.311 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 71.6 m -88.95 -4.16 58.52 Favored 'General case' 0 C--N 1.278 -2.54 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 49.2 ttt180 -108.1 28.79 7.92 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.797 0.808 . . . . 0.0 110.73 -175.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -127.83 167.63 16.29 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -63.72 -15.29 58.12 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -173.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -89.84 -0.93 57.85 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.65 -0.656 . . . . 0.0 111.773 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.0 t -91.99 118.82 68.41 Favored Pre-proline 0 C--O 1.243 0.724 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.582 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.71 -31.44 86.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 122.857 2.371 . . . . 0.0 112.447 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.8 m -64.61 -55.02 22.95 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 79.3 t80 -54.27 -52.24 62.04 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 124.498 1.119 . . . . 0.0 111.749 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -70.29 -26.52 63.84 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.461 -174.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 t -94.49 1.45 55.73 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.435 0.636 . . . . 0.0 109.396 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 64.27 33.27 11.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.612 1.165 . . . . 0.0 112.568 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -111.82 165.29 12.19 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.923 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -96.05 167.6 11.12 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 124.193 0.997 . . . . 0.0 113.127 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 91.2 m -94.69 75.87 3.71 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.542 -0.753 . . . . 0.0 112.213 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.58 109.38 21.02 Favored 'General case' 0 C--N 1.277 -2.574 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.463 172.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.46 12.87 56.67 Favored Glycine 0 C--O 1.24 0.513 0 C-N-CA 121.374 -0.441 . . . . 0.0 112.586 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.0 m -82.37 167.38 18.57 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 120.801 0.334 . . . . 0.0 111.054 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -114.28 11.71 17.46 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.5 p -72.91 142.98 47.88 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.823 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 t -111.22 124.48 68.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.474 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.55 54.68 35.12 Favored Glycine 0 CA--C 1.497 -1.062 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.613 ' HA ' ' OG1' ' A' ' 27' ' ' THR . 11.3 p -89.1 131.68 35.14 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.785 -176.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 48.9 mmtm -106.2 95.12 5.55 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 171.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -109.72 119.82 46.7 Favored Pre-proline 0 C--N 1.294 -1.846 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -56.33 -31.03 83.34 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.998 2.466 . . . . 0.0 111.376 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -86.11 99.64 11.64 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.319 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -114.92 20.53 15.04 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 122.524 1.154 . . . . 0.0 108.253 175.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' C ' ' H ' ' A' ' 58' ' ' TYR . 24.3 mt-10 -61.23 140.67 57.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.389 177.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 t70 77.22 -30.04 0.17 Allowed 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 124.069 0.948 . . . . 0.0 112.599 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.419 ' H ' ' C ' ' A' ' 56' ' ' GLU . 31.7 t80 -88.76 77.87 7.77 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-O 121.85 0.833 . . . . 0.0 109.072 -178.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--N 1.306 -1.314 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.689 -179.817 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.434 -1.27 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -84.01 161.19 13.73 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.806 2.338 . . . . 0.0 111.619 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -52.52 130.4 36.27 Favored 'Trans proline' 0 C--O 1.256 1.38 0 C-N-CA 122.866 2.378 . . . . 0.0 110.949 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -130.03 140.15 37.8 Favored Pre-proline 0 C--N 1.307 -1.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.216 -174.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -71.57 142.53 40.44 Favored 'Trans proline' 0 C--O 1.242 0.682 0 C-N-CA 122.49 2.127 . . . . 0.0 111.884 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -112.46 119.68 39.06 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 121.439 0.637 . . . . 0.0 109.716 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -91.79 157.8 16.69 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.586 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.581 ' HD2' ' O ' ' A' ' 15' ' ' ARG . 3.0 tmm_? -124.96 41.13 3.59 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 73.0 m -65.22 138.35 58.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 113.679 -1.6 . . . . 0.0 110.831 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.1 -48.2 1.05 Allowed Glycine 0 CA--C 1.497 -1.052 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 174.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.0 mt -68.13 -38.34 79.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.437 0.637 . . . . 0.0 109.981 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 15' ' ' ARG . 26.3 t -145.68 164.99 30.04 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.42 -64.15 1.12 Allowed Glycine 0 N--CA 1.437 -1.289 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.3 t -155.35 132.94 11.18 Favored 'General case' 0 N--CA 1.421 -1.898 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.9 m -87.48 93.56 9.45 Favored 'General case' 0 N--CA 1.427 -1.617 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -148.92 138.15 21.61 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.1 m -111.26 1.66 17.29 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.638 0.732 . . . . 0.0 110.585 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.1 mt -97.92 -58.02 2.09 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -169.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 p -122.32 16.72 10.61 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 120.837 0.351 . . . . 0.0 111.249 -174.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.446 HG23 ' HB3' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -47.95 -64.82 0.69 Allowed 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 126.049 1.74 . . . . 0.0 113.583 -174.461 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.7 m -87.34 -4.84 59.06 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 24.9 ttt180 -91.63 -7.09 51.01 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.984 0.421 . . . . 0.0 111.715 -175.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -107.51 173.96 6.09 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.503 -177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -66.75 -4.47 9.14 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -173.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -88.46 -0.87 57.67 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.329 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.8 t -101.15 113.76 65.8 Favored Pre-proline 0 N--CA 1.415 -2.176 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -62.04 -23.95 76.18 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 122.86 2.373 . . . . 0.0 112.08 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.1 m -69.38 -61.23 1.87 Allowed 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.732 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -52.58 -48.67 66.08 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 123.772 0.829 . . . . 0.0 111.954 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HZ3' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -68.26 -34.18 75.73 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.604 -175.042 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -97.55 18.58 15.12 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 69.93 17.01 7.58 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.648 1.179 . . . . 0.0 113.95 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -94.26 170.02 9.81 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 121.443 0.64 . . . . 0.0 112.027 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.0 p -101.58 165.22 11.35 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.074 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.623 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 65.9 m -106.06 14.69 27.46 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.407 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . . . -74.48 109.23 7.79 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 173.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.13 11.86 24.99 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.151 -177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.623 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 75.2 m -97.4 -175.35 3.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.218 0.532 . . . . 0.0 110.876 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -118.45 36.57 4.34 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 7.5 p -93.41 130.51 39.19 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.443 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.6 t -113.51 123.89 69.61 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.185 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.56 36.68 10.31 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 108.986 -1.646 . . . . 0.0 108.986 -176.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.4 t -79.56 110.07 14.53 Favored 'General case' 0 N--CA 1.401 -2.924 0 CA-C-N 114.557 -0.822 . . . . 0.0 110.494 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 74.7 mmtt -114.75 93.06 4.16 Favored 'General case' 0 N--CA 1.409 -2.497 0 N-CA-C 104.143 -2.54 . . . . 0.0 104.143 168.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -111.21 114.73 53.22 Favored Pre-proline 0 C--N 1.291 -1.945 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -59.01 -5.08 2.45 Favored 'Trans proline' 0 CA--C 1.547 1.14 0 C-N-CA 124.278 3.319 . . . . 0.0 114.701 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -92.31 138.31 31.63 Favored 'General case' 0 CA--C 1.486 -1.488 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.38 177.65 5.77 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 123.635 0.584 . . . . 0.0 111.264 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -77.1 167.8 21.16 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.772 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 3.5 m-20 -64.18 141.97 58.58 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.703 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -86.8 77.97 9.17 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 122.437 1.113 . . . . 0.0 110.112 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.303 -1.425 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.964 -177.019 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.8 m . . . . . 0 N--CA 1.443 -0.812 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -85.94 157.55 10.12 Favored 'Trans proline' 0 CA--C 1.548 1.197 0 C-N-CA 122.885 2.39 . . . . 0.0 112.828 -176.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.63 127.25 13.65 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.406 2.071 . . . . 0.0 110.136 175.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -94.32 136.85 23.03 Favored Pre-proline 0 C--N 1.298 -1.632 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.594 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.94 132.46 18.37 Favored 'Trans proline' 0 N--CA 1.439 -1.723 0 C-N-CA 121.226 1.284 . . . . 0.0 109.031 167.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -108.12 112.07 24.42 Favored 'General case' 0 C--N 1.274 -2.696 0 CA-C-O 121.63 0.729 . . . . 0.0 109.733 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 p -81.09 145.08 31.27 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.777 -174.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -108.91 34.75 3.53 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.78 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 99.6 m -54.13 144.4 19.83 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 114.259 -1.337 . . . . 0.0 110.838 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.01 -43.24 2.05 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.9 mt -89.59 -47.67 14.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 m -80.76 -12.52 59.44 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.556 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 174.07 155.06 11.44 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.354 -0.927 . . . . 0.0 111.119 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 m -149.42 101.26 3.09 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.9 t -81.18 -55.42 4.76 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -149.11 119.6 7.41 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.6 m -65.97 -10.14 36.57 Favored 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -173.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.1 mp -97.88 -5.06 35.35 Favored 'General case' 0 C--N 1.311 -1.108 0 O-C-N 121.304 -0.872 . . . . 0.0 110.098 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m -137.38 18.23 2.93 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-O 121.212 0.529 . . . . 0.0 109.793 -177.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.81 -58.3 7.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.996 0.919 . . . . 0.0 111.219 -177.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.533 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 84.4 m -87.91 -3.92 58.88 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 115.357 -0.838 . . . . 0.0 113.171 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 69.3 ttt180 -102.16 9.93 39.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.493 0.663 . . . . 0.0 110.893 -175.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.405 ' OD1' ' HB2' ' A' ' 32' ' ' ARG . 5.9 p30 -114.15 165.73 12.35 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.839 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.1 m -59.21 -19.67 47.39 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 124.541 1.137 . . . . 0.0 113.776 -174.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HB2' ' OD1' ' A' ' 30' ' ' ASN . 85.6 mtm180 -84.55 1.26 46.64 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.4 t -98.33 123.88 48.92 Favored Pre-proline 0 C--N 1.313 -1.021 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.21 -15.58 50.85 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.887 2.391 . . . . 0.0 112.666 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.48 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 93.6 m -80.42 -59.41 2.71 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.495 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.533 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 78.5 t80 -51.98 -55.45 20.32 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 123.851 0.86 . . . . 0.0 112.095 -179.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -71.19 -30.44 66.41 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.289 -172.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.5 m -103.88 14.68 30.31 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 64.75 33.25 10.49 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.48 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 47.9 m-80 -100.54 161.67 13.45 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 p -98.35 149.25 22.83 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.327 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.8 m -91.37 69.62 5.97 Favored 'General case' 0 CA--C 1.491 -1.325 0 CA-C-O 122.139 0.971 . . . . 0.0 110.47 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.54 108.68 10.42 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.53 8.02 44.22 Favored Glycine 0 C--N 1.3 -1.465 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -175.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 78.3 m -95.21 156.78 16.18 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -108.25 27.59 9.16 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.744 0.783 . . . . 0.0 109.757 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 7.6 p -72.1 131.55 42.98 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.939 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.4 t -104.58 126.52 59.37 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-N 114.256 -1.338 . . . . 0.0 107.775 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.01 51.44 7.65 Favored Glycine 0 N--CA 1.44 -1.048 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.432 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 7.2 t -92.27 123.83 35.89 Favored 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 115.254 -0.473 . . . . 0.0 111.21 -176.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 75.6 mmtt -122.51 93.77 4.08 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 167.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -111.55 118.53 46.93 Favored Pre-proline 0 C--N 1.287 -2.134 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -71.28 -13.14 30.67 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 122.068 1.845 . . . . 0.0 111.109 175.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -96.14 98.5 10.38 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 121.724 0.773 . . . . 0.0 109.655 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.498 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -91.99 171.91 8.8 Favored 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 174.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -78.83 99.61 6.8 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-O 121.859 0.838 . . . . 0.0 112.334 -172.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -89.28 115.38 26.72 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 114.392 -1.276 . . . . 0.0 107.654 176.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -146.8 126.12 13.09 Favored 'General case' 0 C--N 1.264 -3.137 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -177.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.431 -1.381 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.29 179.771 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.441 -0.924 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -61.62 149.93 87.71 Favored 'Trans proline' 0 C--O 1.251 1.169 0 C-N-CA 122.29 1.993 . . . . 0.0 110.055 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.37 126.86 23.64 Favored 'Trans proline' 0 C--O 1.243 0.774 0 C-N-CA 122.211 1.941 . . . . 0.0 111.063 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -111.48 148.76 39.5 Favored Pre-proline 0 N--CA 1.43 -1.44 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.479 -177.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -66.35 146.13 79.71 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.808 2.339 . . . . 0.0 112.013 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 9.9 mptt -112.62 114.21 26.72 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.0 p -93.21 153.37 18.65 Favored 'General case' 0 C--N 1.281 -2.385 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.687 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 15' ' ' ARG . 3.7 mpt_? -110.61 32.54 5.13 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 19' ' ' SER . 95.9 m -55.21 136.67 48.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.259 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.518 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . 101.35 -41.27 2.18 Favored Glycine 0 C--N 1.294 -1.78 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.2 mt -81.14 -45.86 20.76 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 172.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.457 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 13.3 m -120.99 101.55 7.76 Favored 'General case' 0 N--CA 1.415 -2.182 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 172.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.77 86.68 0.12 Allowed Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.11 -1.043 . . . . 0.0 112.15 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 p -87.81 -15.6 36.41 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.435 0.635 . . . . 0.0 111.019 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.0 m -93.42 53.81 1.96 Allowed 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.868 -175.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 73.27 118.43 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.891 1.276 . . . . 0.0 111.861 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 p -74.0 -4.95 38.43 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -97.69 -15.13 20.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.995 0.426 . . . . 0.0 109.954 177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -134.56 26.37 3.73 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 -174.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -47.2 -64.34 0.81 Allowed 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 126.123 1.769 . . . . 0.0 112.8 -174.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 100.0 m -88.27 -4.75 58.65 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.555 178.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 71.1 ttt180 -102.13 22.11 13.74 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.648 0.737 . . . . 0.0 111.171 -171.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -129.14 164.95 22.25 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.583 -0.698 . . . . 0.0 109.584 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 p -68.7 -1.35 6.77 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -173.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -95.24 -8.77 35.12 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.802 -0.561 . . . . 0.0 110.134 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.5 t -84.19 120.64 74.88 Favored Pre-proline 0 C--O 1.246 0.91 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.03 -23.68 73.98 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.198 2.599 . . . . 0.0 113.114 -175.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.3 m -76.55 -61.97 1.78 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.678 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.434 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 74.8 t80 -46.0 -55.44 6.85 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.63 1.572 . . . . 0.0 112.0 -178.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.575 ' O ' ' HE3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -63.79 -38.31 90.64 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.579 -175.568 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.1 m -90.8 15.59 10.92 Favored 'General case' 0 C--N 1.31 -1.145 0 O-C-N 122.094 -0.379 . . . . 0.0 112.008 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 65.45 21.23 11.83 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.257 1.023 . . . . 0.0 111.722 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -100.16 156.23 17.31 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.838 0.828 . . . . 0.0 111.314 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 p -93.69 172.06 8.49 Favored 'General case' 0 C--N 1.277 -2.567 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.607 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.424 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 69.8 m -111.43 14.71 21.48 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.24 111.94 5.5 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 174.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.07 -15.59 33.35 Favored Glycine 0 N--CA 1.434 -1.469 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.539 -174.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 73.2 m -76.95 152.42 35.29 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 175.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -94.67 19.28 10.15 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.111 0.481 . . . . 0.0 110.364 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.485 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 7.7 p -67.95 130.79 44.05 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.824 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.518 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 31.6 t -109.24 119.49 58.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -177.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.25 43.03 5.71 Favored Glycine 0 C--N 1.299 -1.507 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 -174.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.485 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 5.4 t -90.08 119.78 30.71 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 114.689 -0.756 . . . . 0.0 111.183 -177.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 31.7 mmmt -117.93 93.87 4.3 Favored 'General case' 0 C--N 1.288 -2.106 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 171.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -111.63 116.11 50.68 Favored Pre-proline 0 C--N 1.296 -1.732 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.82 -2.3 12.44 Favored 'Trans proline' 0 CA--C 1.55 1.31 0 C-N-CA 122.569 2.179 . . . . 0.0 112.472 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -101.05 147.51 26.12 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 176.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 56' ' ' GLU . 5.3 tmtt? -158.36 137.67 11.69 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -176.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.464 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -81.18 94.5 6.68 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 175.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -121.67 135.26 54.97 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.195 -171.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -81.05 116.94 21.24 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 121.435 0.636 . . . . 0.0 111.035 -177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t . . . . . 0 C--N 1.297 -1.705 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.189 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.445 -0.7 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -80.51 118.97 3.63 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.296 1.997 . . . . 0.0 112.34 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -74.51 153.11 44.16 Favored 'Trans proline' 0 C--O 1.251 1.164 0 C-N-CA 122.046 1.831 . . . . 0.0 110.068 174.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HZ1' ' CD ' ' A' ' 56' ' ' GLU . 58.5 mtmt -85.14 163.84 43.84 Favored Pre-proline 0 C--N 1.296 -1.76 0 CA-C-O 118.469 -0.777 . . . . 0.0 109.497 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -48.99 144.42 15.67 Favored 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.721 2.281 . . . . 0.0 113.636 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -118.81 153.08 35.07 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.446 -1.252 . . . . 0.0 113.137 -172.432 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.2 p -129.46 163.64 25.44 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.509 -174.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -115.21 32.36 6.1 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.037 0.935 . . . . 0.0 109.984 177.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.0 m -60.01 144.67 48.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.063 0.459 . . . . 0.0 111.306 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.04 -31.41 8.27 Favored Glycine 0 C--N 1.302 -1.335 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.3 mt -89.21 -54.84 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.551 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 176.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 m -67.91 106.04 2.18 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.101 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.97 -18.45 55.77 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.876 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.0 t 59.72 -83.56 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.913 1.285 . . . . 0.0 112.61 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t -84.95 90.31 7.79 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-O 121.645 0.736 . . . . 0.0 110.399 -177.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -155.18 26.57 0.41 Allowed 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 103.691 -2.707 . . . . 0.0 103.691 174.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.5 m -58.17 -32.46 68.24 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 112.97 -1.923 . . . . 0.0 114.016 -169.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -76.12 -26.99 56.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -177.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 p -132.99 31.31 3.89 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 122.141 -0.35 . . . . 0.0 111.353 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.436 ' OG1' ' HA ' ' A' ' 50' ' ' CYS . 0.3 OUTLIER -50.51 -65.99 0.46 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.847 0.859 . . . . 0.0 112.768 -175.804 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 93.3 m -89.45 -5.99 56.89 Favored 'General case' 0 N--CA 1.416 -2.156 0 CA-C-N 114.825 -1.08 . . . . 0.0 113.773 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -99.71 29.67 4.01 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.819 -171.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -133.29 174.2 10.64 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 121.735 -0.603 . . . . 0.0 109.668 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -70.66 -2.82 15.64 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -173.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -90.85 -10.14 43.78 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.376 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 50.8 t -94.04 117.37 67.16 Favored Pre-proline 0 N--CA 1.429 -1.48 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.096 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.76 -4.23 10.79 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 123.733 2.955 . . . . 0.0 112.847 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.522 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 71.7 m -89.24 -68.14 0.79 Allowed 'General case' 0 N--CA 1.42 -1.931 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.466 178.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -55.21 -51.65 65.89 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -174.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -70.13 -22.14 63.02 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.251 0.548 . . . . 0.0 111.057 -173.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.6 m -100.84 7.01 43.93 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.013 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 63.46 34.26 12.94 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.522 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 87.8 m-20 -103.46 168.4 9.18 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.223 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.1 p -108.46 169.08 8.87 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 122.798 0.439 . . . . 0.0 109.958 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.47 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 89.4 m -93.67 72.23 4.26 Favored 'General case' 0 N--CA 1.434 -1.253 0 CA-C-O 121.789 0.804 . . . . 0.0 110.69 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.76 104.27 13.21 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.22 177.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.67 14.31 47.4 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 119.976 -1.107 . . . . 0.0 111.324 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.47 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 78.0 m -81.95 168.13 18.2 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.263 0.554 . . . . 0.0 111.99 -178.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -119.86 29.05 7.75 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.2 p -92.54 150.97 20.42 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.696 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -121.57 123.19 68.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.386 -177.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.76 42.01 87.75 Favored Glycine 0 C--O 1.249 1.083 0 O-C-N 123.39 0.431 . . . . 0.0 112.208 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.436 ' HA ' ' OG1' ' A' ' 27' ' ' THR . 8.1 p -85.04 138.59 32.34 Favored 'General case' 0 N--CA 1.426 -1.644 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.019 -174.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -106.67 94.24 5.02 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 171.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -111.01 120.42 43.41 Favored Pre-proline 0 N--CA 1.428 -1.557 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -60.15 -22.75 71.26 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.483 2.122 . . . . 0.0 111.925 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -86.83 80.51 8.47 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 120.998 0.428 . . . . 0.0 111.562 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -110.91 74.83 0.89 Allowed 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 105.07 -2.196 . . . . 0.0 105.07 168.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' CD ' ' HZ1' ' A' ' 11' ' ' LYS . 7.4 pt-20 -70.38 93.35 0.86 Allowed 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 113.048 -1.887 . . . . 0.0 113.088 -173.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -102.33 162.04 13.23 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 114.449 -1.251 . . . . 0.0 107.69 176.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -78.79 86.29 4.73 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-O 121.406 0.622 . . . . 0.0 109.604 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.298 -1.632 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.336 179.091 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.439 -0.989 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.34 132.14 20.28 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.252 1.968 . . . . 0.0 112.38 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -61.13 126.64 19.95 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 121.896 1.731 . . . . 0.0 108.522 173.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -132.39 159.75 71.03 Favored Pre-proline 0 C--N 1.3 -1.564 0 CA-C-O 118.562 -0.732 . . . . 0.0 109.405 -173.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -48.49 132.97 25.56 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 123.259 2.64 . . . . 0.0 114.929 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -134.46 152.85 52.06 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 113.494 -1.684 . . . . 0.0 107.144 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.0 p -137.51 170.54 15.89 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 120.883 0.373 . . . . 0.0 111.561 -173.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -127.71 27.58 5.74 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.194 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.1 m -56.97 106.92 0.35 Allowed 'General case' 0 C--O 1.211 -0.962 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.219 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.11 -37.09 2.01 Favored Glycine 0 C--N 1.292 -1.879 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.3 mm -76.81 -55.11 11.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 175.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.1 m -158.96 158.36 33.13 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.23 19.56 74.25 Favored Glycine 0 C--O 1.244 0.746 0 N-CA-C 110.224 -1.15 . . . . 0.0 110.224 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -69.06 113.06 6.1 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 124.08 0.952 . . . . 0.0 110.326 -177.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.609 ' O ' ' HA ' ' A' ' 27' ' ' THR . 8.4 m -110.12 108.5 18.7 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 79.6 165.77 0.19 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 125.032 1.333 . . . . 0.0 109.529 -173.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 t -110.58 -29.43 8.05 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.563 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -105.41 -44.43 4.72 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.6 m -87.15 25.15 1.41 Allowed 'General case' 0 CA--C 1.569 1.688 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.062 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.609 ' HA ' ' O ' ' A' ' 22' ' ' SER . 1.0 OUTLIER -52.24 -65.18 0.6 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.969 1.308 . . . . 0.0 112.367 -174.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 99.5 m -88.5 -4.4 58.62 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.148 177.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.482 ' HG3' ' CG ' ' A' ' 53' ' ' PRO . 62.4 ttt-85 -91.18 -1.14 57.78 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.577 -175.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -112.78 162.76 15.4 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.506 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m -67.59 -5.14 14.11 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -174.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -86.58 -3.58 59.05 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.422 0.63 . . . . 0.0 109.434 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.3 t -94.75 127.67 42.55 Favored Pre-proline 0 N--CA 1.439 -1.02 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.53 -35.13 83.5 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.517 2.145 . . . . 0.0 112.594 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.5 m -64.47 -57.67 8.57 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.581 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 86.9 t80 -52.16 -51.31 58.76 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 123.881 0.872 . . . . 0.0 111.803 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -64.13 -37.93 89.22 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 123.897 0.748 . . . . 0.0 110.366 -174.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.4 m -87.76 8.42 25.77 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 70.43 24.05 4.73 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.063 0.945 . . . . 0.0 112.948 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -103.92 161.37 14.03 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.241 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.0 p -100.76 168.87 9.39 Favored 'General case' 0 C--N 1.286 -2.161 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.495 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.5 m -95.27 73.27 3.33 Favored 'General case' 0 N--CA 1.418 -2.074 0 CA-C-O 122.33 1.062 . . . . 0.0 110.778 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.74 110.93 18.44 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 112.818 -1.992 . . . . 0.0 107.179 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.47 13.64 40.77 Favored Glycine 0 C--N 1.307 -1.057 0 C-N-CA 120.364 -0.922 . . . . 0.0 111.027 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.6 m -96.58 170.6 9.09 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 123.01 0.524 . . . . 0.0 109.713 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -120.07 44.34 2.45 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.969 0.89 . . . . 0.0 108.689 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.4 p -93.06 151.23 20.0 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.451 -1.249 . . . . 0.0 110.275 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.9 t -129.75 130.43 66.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.7 45.73 9.2 Favored Glycine 0 CA--C 1.5 -0.856 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.3 t -98.47 110.29 22.9 Favored 'General case' 0 N--CA 1.413 -2.299 0 CA-C-N 114.599 -0.8 . . . . 0.0 112.944 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 55.0 mtpt -113.54 95.3 5.28 Favored 'General case' 0 C--N 1.279 -2.492 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 167.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -106.13 115.08 61.74 Favored Pre-proline 0 C--N 1.298 -1.636 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.482 ' CG ' ' HG3' ' A' ' 29' ' ' ARG . 32.1 Cg_exo -62.11 -13.8 33.92 Favored 'Trans proline' 0 N--CA 1.478 0.566 0 C-N-CA 123.283 2.656 . . . . 0.0 113.208 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -94.24 136.88 34.04 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.81 115.96 11.74 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -83.93 85.45 7.32 Favored 'General case' 0 N--CA 1.413 -2.314 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -71.34 88.64 0.87 Allowed 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 113.855 -1.521 . . . . 0.0 108.571 -176.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -93.03 109.07 20.52 Favored 'General case' 0 C--N 1.267 -3.004 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.016 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.425 -1.711 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.613 179.194 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.447 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 16.5 m . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -85.18 107.26 1.03 Allowed 'Trans proline' 0 CA--C 1.549 1.263 0 C-N-CA 122.337 2.025 . . . . 0.0 113.178 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' ' 8' ' ' SER . 98.5 Cg_endo -88.28 167.62 6.48 Favored 'Trans proline' 0 C--O 1.247 0.968 0 C-N-CA 122.564 2.176 . . . . 0.0 111.687 178.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -116.29 140.84 26.98 Favored Pre-proline 0 C--N 1.314 -0.961 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.9 144.24 76.07 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.257 1.971 . . . . 0.0 110.159 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -125.31 150.0 47.54 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.408 ' C ' ' HD2' ' A' ' 15' ' ' ARG . 28.0 p -128.91 168.0 16.59 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.41 -175.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.408 ' HD2' ' C ' ' A' ' 14' ' ' CYS . 8.2 mpt_? -120.62 27.55 8.48 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.116 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.408 ' HB3' HG22 ' A' ' 27' ' ' THR . 79.3 m -57.12 115.3 2.56 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.946 178.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.26 -40.42 2.06 Favored Glycine 0 C--N 1.287 -2.185 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -178.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.2 mt -78.41 -43.39 26.69 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 172.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.0 m -133.52 164.87 26.2 Favored 'General case' 0 N--CA 1.424 -1.768 0 CA-C-N 113.626 -1.625 . . . . 0.0 106.967 176.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.9 45.18 3.43 Favored Glycine 0 C--N 1.31 -0.89 0 C-N-CA 119.953 -1.117 . . . . 0.0 112.589 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.4 m -76.91 102.68 6.48 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.2 m -151.68 -45.48 0.11 Allowed 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.401 ' HB3' ' HB ' ' A' ' 26' ' ' THR . 46.1 m-80 -127.22 127.44 44.47 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.5 m -95.11 -30.84 13.84 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.615 0.722 . . . . 0.0 110.927 -175.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.4 mt -95.19 -33.35 12.65 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 122.246 1.022 . . . . 0.0 108.607 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.401 ' HB ' ' HB3' ' A' ' 23' ' ' ASN . 2.2 m -105.22 28.16 7.56 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.187 -176.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.408 HG22 ' HB3' ' A' ' 16' ' ' CYS . 21.3 m -47.54 -64.77 0.7 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.6 m -87.69 -3.8 58.95 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -98.46 17.39 19.06 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 -171.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -129.6 176.19 8.19 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.156 -0.617 . . . . 0.0 111.255 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 m -62.17 -13.71 30.11 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.381 1.472 . . . . 0.0 114.05 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.38 1.77 57.04 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 122.022 -0.423 . . . . 0.0 111.832 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.9 t -101.33 112.29 64.86 Favored Pre-proline 0 N--CA 1.432 -1.348 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.24 -29.11 86.69 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 123.164 2.576 . . . . 0.0 112.341 -175.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.0 m -68.56 -61.83 1.65 Allowed 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.089 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -53.93 -52.17 61.45 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 124.36 1.037 . . . . 0.0 112.014 -176.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 10.3 tmtt? -63.56 -36.0 82.33 Favored 'General case' 0 N--CA 1.438 -1.05 0 O-C-N 124.059 0.85 . . . . 0.0 109.879 -174.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 m -91.62 16.84 9.71 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 120.971 0.415 . . . . 0.0 110.672 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 65.71 22.55 11.58 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.249 1.42 . . . . 0.0 114.688 173.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -95.75 170.0 9.62 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.648 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.453 ' HA ' ' OD1' ' A' ' 52' ' ' ASN . 32.5 p -96.46 168.87 10.29 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.144 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.516 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 59.8 m -109.52 12.13 24.58 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.191 0.519 . . . . 0.0 111.915 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.27 112.24 7.25 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 174.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.8 -3.65 34.09 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.943 -177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.516 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 72.9 m -82.49 -173.44 4.6 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.236 0.541 . . . . 0.0 109.56 176.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -120.2 26.58 9.14 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 45' ' ' CYS . 7.7 p -77.37 143.79 38.45 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.604 -1.18 . . . . 0.0 112.384 -177.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.0 t -120.01 127.05 75.87 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 C-N-CA 124.546 1.139 . . . . 0.0 108.21 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.52 50.93 18.43 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -175.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.2 t -95.25 118.01 31.26 Favored 'General case' 0 N--CA 1.421 -1.88 0 CA-C-N 114.896 -0.652 . . . . 0.0 112.401 -175.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -110.21 94.2 4.89 Favored 'General case' 0 N--CA 1.421 -1.918 0 N-CA-C 105.694 -1.965 . . . . 0.0 105.694 168.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.453 ' OD1' ' HA ' ' A' ' 41' ' ' SER . 25.4 t-20 -111.01 104.99 56.94 Favored Pre-proline 0 C--N 1.293 -1.859 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -61.58 -2.51 2.68 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.303 2.669 . . . . 0.0 114.884 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.417 ' HB2' ' OD1' ' A' ' 52' ' ' ASN . 91.7 m-70 -94.28 138.68 31.99 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.215 0.531 . . . . 0.0 109.725 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -102.86 163.66 12.08 Favored 'General case' 0 C--N 1.282 -2.365 0 C-N-CA 124.49 1.116 . . . . 0.0 108.132 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -80.92 87.98 5.92 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 121.395 0.617 . . . . 0.0 110.112 173.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -91.51 129.01 37.55 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -140.1 152.84 46.47 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.363 -0.976 . . . . 0.0 108.363 -174.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.305 -1.363 0 CA-C-O 118.438 -0.791 . . . . 0.0 110.327 179.146 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.444 -0.755 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -73.74 132.95 17.89 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 121.889 1.726 . . . . 0.0 110.77 176.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -64.31 126.68 17.49 Favored 'Trans proline' 0 C--O 1.251 1.137 0 C-N-CA 121.991 1.794 . . . . 0.0 110.471 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 56.4 mtmt -69.55 131.95 89.59 Favored Pre-proline 0 C--N 1.313 -1.02 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.513 -177.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 17.1 Cg_exo -62.4 140.46 82.47 Favored 'Trans proline' 0 N--CA 1.449 -1.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.475 -177.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -106.5 109.58 21.54 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.944 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.7 p -93.12 155.63 17.36 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.839 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -115.9 31.71 6.54 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.817 0.818 . . . . 0.0 110.191 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.1 m -59.62 111.98 1.63 Allowed 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.785 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.41 -38.36 2.23 Favored Glycine 0 C--N 1.294 -1.773 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.5 mt -73.71 -37.36 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 105.458 -2.052 . . . . 0.0 105.458 172.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -129.12 121.0 26.85 Favored 'General case' 0 N--CA 1.412 -2.327 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 172.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.95 65.25 0.02 OUTLIER Glycine 0 C--N 1.306 -1.099 0 C-N-CA 120.062 -1.066 . . . . 0.0 111.896 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -78.05 146.18 35.43 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 m 74.27 -46.56 0.62 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.894 1.277 . . . . 0.0 112.437 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.466 ' O ' HG23 ' A' ' 27' ' ' THR . 7.7 p30 -101.03 84.27 2.64 Favored 'General case' 0 C--O 1.204 -1.32 0 CA-C-O 121.93 0.872 . . . . 0.0 112.191 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.3 m -110.3 -9.02 14.66 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 122.813 1.292 . . . . 0.0 108.248 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -96.68 -12.58 23.64 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.721 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.409 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 6.1 p -136.9 25.44 3.04 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.257 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -52.06 -65.55 0.54 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.543 1.137 . . . . 0.0 111.754 -176.002 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 95.6 m -89.2 -4.47 58.21 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.334 177.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.409 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 76.2 ttt180 -94.61 5.75 50.91 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.639 -173.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -118.59 167.1 11.94 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.419 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 m -67.39 -9.45 41.64 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -87.28 -4.12 59.06 Favored 'General case' 0 C--O 1.244 0.798 0 O-C-N 121.903 -0.498 . . . . 0.0 110.823 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 45.1 t -89.43 120.52 69.67 Favored Pre-proline 0 N--CA 1.424 -1.731 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.67 -15.62 49.83 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 123.055 2.503 . . . . 0.0 112.7 -176.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 77.6 m -82.7 -58.28 2.96 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.275 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.483 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 75.1 t80 -48.53 -59.91 3.12 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.782 1.233 . . . . 0.0 112.609 -178.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -71.09 -18.04 62.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.911 -173.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 m -104.14 11.85 34.61 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 120.999 0.428 . . . . 0.0 110.61 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 63.65 28.49 15.04 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.069 0.948 . . . . 0.0 112.709 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -100.09 165.84 11.31 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-O 121.534 0.683 . . . . 0.0 110.992 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -101.47 150.92 22.55 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.439 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.425 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 89.2 m -87.21 71.21 10.1 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 121.789 0.804 . . . . 0.0 110.545 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.76 108.49 16.4 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 113.82 -1.536 . . . . 0.0 108.348 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.94 3.2 45.72 Favored Glycine 0 C--N 1.308 -1.015 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 73.8 m -86.49 163.51 17.48 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.39 -0.405 . . . . 0.0 110.343 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -112.02 29.28 8.02 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 8.0 p -79.23 131.55 36.21 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.946 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.6 t -118.09 115.88 49.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.4 41.57 5.74 Favored Glycine 0 C--N 1.3 -1.461 0 N-CA-C 108.058 -2.017 . . . . 0.0 108.058 -173.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 6.7 t -81.05 109.41 15.6 Favored 'General case' 0 N--CA 1.42 -1.949 0 CA-C-N 114.338 -0.931 . . . . 0.0 111.171 -176.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -111.4 93.26 4.38 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 170.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -111.78 116.52 49.87 Favored Pre-proline 0 C--N 1.293 -1.851 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -75.47 1.04 8.4 Favored 'Trans proline' 0 C--N 1.326 -0.623 0 C-N-CA 122.318 2.012 . . . . 0.0 112.978 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -97.3 94.28 6.99 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HD2' ' O ' ' A' ' 55' ' ' LYS . 1.9 pptp? -89.34 128.03 35.86 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 172.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -90.05 136.89 32.77 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -175.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -136.8 -170.82 2.78 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -106.81 109.76 21.75 Favored 'General case' 0 N--CA 1.411 -2.382 0 CA-C-O 121.234 0.54 . . . . 0.0 110.189 -176.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.3 t . . . . . 0 C--N 1.291 -1.957 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 179.233 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.443 -0.805 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.22 160.4 23.28 Favored 'Trans proline' 0 C--O 1.249 1.043 0 C-N-CA 122.134 1.889 . . . . 0.0 110.746 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.4 127.52 25.81 Favored 'Trans proline' 0 C--O 1.25 1.085 0 C-N-CA 122.272 1.982 . . . . 0.0 111.799 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -77.37 158.42 79.23 Favored Pre-proline 0 C--N 1.31 -1.114 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.92 140.61 96.0 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.163 1.909 . . . . 0.0 111.634 177.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -133.53 152.4 51.9 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.067 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 p -122.4 163.28 20.08 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.674 -176.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -127.44 37.31 4.25 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.031 0.932 . . . . 0.0 109.857 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 35.2 m -64.5 149.02 49.44 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.806 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.58 -27.61 10.5 Favored Glycine 0 C--N 1.294 -1.771 0 C-N-CA 119.544 -1.312 . . . . 0.0 112.895 174.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.4 mt -69.79 -48.32 65.07 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 N-CA-C 105.429 -2.064 . . . . 0.0 105.429 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 t -103.59 122.38 44.85 Favored 'General case' 0 N--CA 1.404 -2.729 0 N-CA-C 103.929 -2.619 . . . . 0.0 103.929 168.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.98 1.54 44.55 Favored Glycine 0 C--N 1.305 -1.16 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.905 -177.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -85.72 -3.26 58.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.921 0.867 . . . . 0.0 110.515 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 p -77.59 -50.85 11.69 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 173.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -177.13 150.82 0.77 Allowed 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 105.801 -1.925 . . . . 0.0 105.801 172.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.8 m -110.77 -60.56 1.8 Allowed 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -177.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.4 mt -88.27 -9.75 51.87 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -169.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 p -131.92 36.73 3.66 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 176.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -41.12 -65.3 0.44 Allowed 'General case' 0 C--O 1.214 -0.786 0 C-N-CA 125.201 1.4 . . . . 0.0 113.634 -176.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.508 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 71.0 m -88.99 -5.02 58.24 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -95.21 -15.13 23.48 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 120.892 0.377 . . . . 0.0 111.634 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -92.87 162.06 14.24 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.502 -177.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 m -66.66 -15.78 63.73 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -173.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -78.38 -11.1 59.92 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.679 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' A' ' 28' ' ' CYS . 53.6 t -88.57 123.31 68.32 Favored Pre-proline 0 N--CA 1.415 -2.183 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 173.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.65 -32.92 96.64 Favored 'Trans proline' 0 CA--C 1.517 -0.371 0 C-N-CA 122.771 2.314 . . . . 0.0 111.586 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.504 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 65.5 m -60.62 -51.34 69.82 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -176.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.497 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 67.1 t80 -61.07 -46.67 89.71 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.081 0.467 . . . . 0.0 111.136 -177.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -75.4 -26.66 58.59 Favored 'General case' 0 N--CA 1.419 -2.007 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -102.85 3.08 36.23 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.691 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 63.9 39.85 7.85 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.656 1.182 . . . . 0.0 110.587 177.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 11.9 m120 -95.07 151.78 18.9 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.764 -178.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -99.17 148.93 23.58 Favored 'General case' 0 N--CA 1.408 -2.526 0 CA-C-N 115.37 -0.832 . . . . 0.0 108.807 177.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.68 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 67.4 m -87.54 24.72 1.61 Allowed 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -175.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.29 105.66 12.66 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.56 -4.92 34.93 Favored Glycine 0 N--CA 1.43 -1.707 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -176.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.68 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 97.0 m -79.09 156.92 28.11 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -105.49 19.22 20.93 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.594 0.711 . . . . 0.0 111.179 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 6.0 p -72.05 132.58 44.43 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.92 176.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.0 118.15 49.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.895 -177.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.42 52.42 35.54 Favored Glycine 0 N--CA 1.435 -1.403 0 O-C-N 123.961 0.788 . . . . 0.0 111.14 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.4 p -85.77 134.87 33.92 Favored 'General case' 0 N--CA 1.425 -1.68 0 C-N-CA 120.028 -0.669 . . . . 0.0 109.782 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -101.08 93.25 5.39 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 172.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -112.18 118.24 46.29 Favored Pre-proline 0 C--N 1.301 -1.503 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -60.0 -26.89 83.66 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 122.612 2.208 . . . . 0.0 111.884 174.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -80.7 145.53 31.53 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -124.95 148.3 48.45 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.75 134.68 54.67 Favored 'General case' 0 C--O 1.25 1.122 0 O-C-N 123.529 0.518 . . . . 0.0 109.709 176.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -144.72 141.94 29.66 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -58.53 109.69 0.84 Allowed 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -171.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 79.4 t . . . . . 0 C--N 1.304 -1.389 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 173.474 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.0 t . . . . . 0 N--CA 1.44 -0.955 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.86 117.84 4.64 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.021 2.481 . . . . 0.0 112.383 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -68.03 141.6 53.63 Favored 'Trans proline' 0 C--O 1.255 1.346 0 C-N-CA 122.697 2.265 . . . . 0.0 112.122 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' HZ2' ' HB2' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -76.14 147.55 80.07 Favored Pre-proline 0 C--N 1.308 -1.213 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.513 177.785 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.548 ' HD2' ' OD1' ' A' ' 40' ' ' ASN . 31.6 Cg_exo -57.1 138.92 88.43 Favored 'Trans proline' 0 C--O 1.243 0.764 0 C-N-CA 122.494 2.129 . . . . 0.0 111.229 174.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -135.98 152.32 50.83 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.9 p -137.6 157.02 47.4 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.289 0.566 . . . . 0.0 111.807 -174.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -119.77 38.23 3.97 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.03 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 59.4 m -67.13 161.11 25.33 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.861 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.31 -19.91 31.18 Favored Glycine 0 CA--C 1.494 -1.256 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.963 174.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.4 mt -69.35 -28.63 39.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 122.119 0.961 . . . . 0.0 108.717 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -116.19 89.94 3.22 Favored 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 173.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.4 37.69 2.38 Favored Glycine 0 N--CA 1.429 -1.829 0 C-N-CA 120.188 -1.006 . . . . 0.0 112.809 -175.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.3 m -64.47 -63.97 1.0 Allowed 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.6 t -104.45 -16.89 14.95 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 176.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.508 ' ND2' ' HA ' ' A' ' 27' ' ' THR . 10.7 t30 -94.01 65.47 3.47 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.905 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 m -105.22 -33.95 8.07 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.859 -175.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 7.3 mp -107.59 -37.22 6.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.965 0.888 . . . . 0.0 109.197 177.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -82.87 8.47 12.38 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.852 -176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.508 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 6.8 m -51.37 -66.72 0.34 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.999 1.32 . . . . 0.0 113.375 -173.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 65.2 m -90.58 -5.18 56.23 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 71.0 ttt180 -96.81 23.35 7.17 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.746 -171.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -128.78 164.23 23.47 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.3 m -69.35 -8.97 51.17 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -173.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.478 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.1 mmp_? -86.32 -1.18 57.29 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.688 -0.632 . . . . 0.0 110.995 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.2 t -94.46 118.11 66.98 Favored Pre-proline 0 N--CA 1.43 -1.428 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.66 -34.19 97.77 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.639 2.226 . . . . 0.0 112.532 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.5 m -63.36 -51.2 66.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.743 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -60.02 -44.98 94.25 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.318 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -78.01 -34.01 50.89 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -177.192 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.1 m -90.95 12.78 18.51 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 120.796 0.331 . . . . 0.0 111.44 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.492 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 31.0 m-85 59.49 54.57 4.54 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.548 ' OD1' ' HD2' ' A' ' 12' ' ' PRO . 1.3 m-80 -128.92 156.94 42.92 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 121.321 0.581 . . . . 0.0 111.703 176.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.14 160.07 14.86 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.876 175.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.4 m -90.28 73.26 7.1 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-O 122.037 0.922 . . . . 0.0 113.028 -173.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.39 123.89 51.28 Favored 'General case' 0 C--N 1.286 -2.196 0 CA-C-N 113.676 -1.602 . . . . 0.0 107.321 172.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.29 14.12 59.22 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.428 -0.891 . . . . 0.0 111.271 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 77.9 m -97.0 170.19 9.32 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.197 0.522 . . . . 0.0 110.805 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -114.88 19.06 16.13 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 16.5 p -70.78 125.18 26.11 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -176.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.8 t -99.29 128.25 51.18 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 113.657 -1.61 . . . . 0.0 108.267 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.89 41.39 72.82 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.458 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 8.7 t -75.09 109.64 8.73 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -176.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 25' ' ' LEU . 12.3 mptt -107.18 92.14 3.95 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 166.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.408 ' ND2' ' HB2' ' A' ' 54' ' ' HIS . 51.6 t30 -112.85 115.96 48.03 Favored Pre-proline 0 C--N 1.281 -2.394 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 176.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.81 -9.3 25.75 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 121.89 1.727 . . . . 0.0 110.884 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' A' ' 39' ' ' TYR . 22.4 m-70 -74.83 105.75 6.03 Favored 'General case' 0 N--CA 1.422 -1.861 0 CA-C-O 122.166 0.984 . . . . 0.0 113.071 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.509 ' HD2' ' O ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -140.7 110.21 6.33 Favored 'General case' 0 C--N 1.263 -3.153 0 N-CA-C 102.884 -3.006 . . . . 0.0 102.884 167.347 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -68.03 138.84 56.15 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.399 -172.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -71.84 -25.33 61.93 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.909 -171.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -64.57 120.44 12.35 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.915 0.864 . . . . 0.0 110.897 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.0 m . . . . . 0 C--N 1.284 -2.241 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.649 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.443 -0.782 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -91.8 120.03 0.55 Allowed 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 122.591 2.194 . . . . 0.0 112.932 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -77.23 155.78 33.08 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.375 2.05 . . . . 0.0 109.968 174.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -108.83 113.84 59.15 Favored Pre-proline 0 C--N 1.31 -1.129 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.91 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -72.91 159.48 48.05 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.688 2.258 . . . . 0.0 111.682 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 60.2 mttp -128.07 153.02 47.27 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.182 -176.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 p -129.53 170.91 13.14 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 121.171 0.51 . . . . 0.0 111.533 -175.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -129.3 25.17 5.49 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.867 -1.06 . . . . 0.0 108.813 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 82.1 m -52.19 117.85 3.1 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.266 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.06 -37.08 2.46 Favored Glycine 0 C--N 1.298 -1.583 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.7 mt -103.58 -13.75 8.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 p -56.36 -44.58 80.25 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 126.114 1.766 . . . . 0.0 114.161 -176.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.31 -85.07 0.38 Allowed Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -77.93 86.9 4.12 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 121.467 0.651 . . . . 0.0 110.325 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.9 m -154.87 128.52 8.6 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.869 -1.159 . . . . 0.0 107.869 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -71.47 159.46 34.46 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.853 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 m -67.38 -40.78 85.73 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.102 -175.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -91.42 -44.79 8.92 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.336 0.588 . . . . 0.0 110.494 176.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m -89.25 43.34 1.14 Allowed 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 122.923 0.489 . . . . 0.0 110.14 -176.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 m -64.23 -65.38 0.69 Allowed 'General case' 0 C--O 1.213 -0.827 0 CA-C-O 120.95 0.405 . . . . 0.0 110.844 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 57.1 m -89.6 -5.26 57.33 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 173.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -94.57 3.89 54.54 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 121.234 0.54 . . . . 0.0 111.531 -174.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -97.1 165.91 11.84 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.905 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.542 ' O ' ' HD2' ' A' ' 37' ' ' LYS . 4.4 p -65.66 -15.24 62.59 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -174.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtp-105 -85.46 0.59 51.85 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.953 -0.467 . . . . 0.0 110.921 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.2 t -89.47 110.89 42.24 Favored Pre-proline 0 N--CA 1.432 -1.356 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 174.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.74 -29.03 88.49 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.197 2.598 . . . . 0.0 112.581 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.0 m -67.76 -60.09 2.8 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -52.83 -50.17 64.26 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 124.761 1.225 . . . . 0.0 111.458 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.542 ' HD2' ' O ' ' A' ' 31' ' ' SER . 77.7 tttt -68.52 -25.12 64.78 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.678 -175.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.6 m -100.13 8.91 43.55 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 66.75 29.38 8.6 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.024 0.93 . . . . 0.0 112.93 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -109.28 159.83 16.63 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 120.913 0.387 . . . . 0.0 110.532 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.2 p -87.33 164.86 16.02 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.934 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 69.0 m -92.89 77.86 4.74 Favored 'General case' 0 N--CA 1.417 -2.077 0 CA-C-O 122.01 0.91 . . . . 0.0 109.471 177.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.94 105.86 13.75 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 113.871 -1.513 . . . . 0.0 109.297 174.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.414 ' O ' ' HD3' ' A' ' 13' ' ' LYS . . . 99.75 13.85 36.29 Favored Glycine 0 CA--C 1.499 -0.917 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.128 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.2 m -85.51 177.59 7.7 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.297 0.57 . . . . 0.0 110.204 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -119.66 24.4 10.63 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.482 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 13.7 p -71.46 141.53 50.22 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 114.269 -1.332 . . . . 0.0 110.569 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.9 t -119.08 113.91 42.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -176.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.68 52.33 4.46 Favored Glycine 0 N--CA 1.429 -1.811 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 -177.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.482 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 10.1 t -81.16 117.64 21.87 Favored 'General case' 0 N--CA 1.418 -2.074 0 C-N-CA 123.72 0.808 . . . . 0.0 112.092 -175.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 9.1 mptt -115.01 93.39 4.29 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 105.512 -2.032 . . . . 0.0 105.512 168.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -111.15 121.04 41.65 Favored Pre-proline 0 C--N 1.292 -1.908 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -66.68 -16.36 50.23 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 174.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -82.27 87.16 6.57 Favored 'General case' 0 CA--C 1.491 -1.305 0 CA-C-O 122.104 0.954 . . . . 0.0 110.688 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -141.83 163.3 33.28 Favored 'General case' 0 C--N 1.277 -2.565 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.81 110.35 6.28 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-O 121.307 0.575 . . . . 0.0 111.313 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -75.14 82.53 2.32 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 175.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -130.06 115.83 17.67 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 113.816 -1.538 . . . . 0.0 109.299 -171.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 C--N 1.299 -1.597 0 CA-C-O 118.608 -0.71 . . . . 0.0 110.257 177.281 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.445 -0.721 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -89.27 131.76 2.15 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 122.001 1.8 . . . . 0.0 112.035 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -70.72 132.54 21.99 Favored 'Trans proline' 0 N--CA 1.445 -1.361 0 C-N-CA 121.513 1.475 . . . . 0.0 109.695 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HZ2' ' HB2' ' A' ' 11' ' ' LYS . 10.4 mtmp? -66.59 143.1 97.99 Favored Pre-proline 0 C--N 1.311 -1.087 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.125 -178.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.45 151.13 38.91 Favored 'Trans proline' 0 C--O 1.247 0.956 0 C-N-CA 122.274 1.982 . . . . 0.0 111.499 175.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 20.1 pttp -130.64 116.59 18.3 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 121.92 0.867 . . . . 0.0 110.351 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.3 p -110.01 158.28 18.42 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.186 -174.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HD2' ' N ' ' A' ' 15' ' ' ARG . 6.4 mpt_? -111.55 30.35 7.04 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.447 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 69.4 m -56.73 132.51 52.29 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.687 179.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.7 -44.1 1.5 Allowed Glycine 0 C--N 1.285 -2.254 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -175.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.3 mt -82.02 -41.93 18.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.9 m -152.44 147.61 26.47 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.49 166.25 14.87 Favored Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.044 -1.074 . . . . 0.0 113.01 176.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.5 p -95.88 144.98 25.75 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m 60.72 30.0 19.4 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.828 0.823 . . . . 0.0 108.868 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -74.15 -16.87 60.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.103 -1.408 . . . . 0.0 112.134 -171.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.8 p -66.9 -60.54 2.56 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-N 114.89 -1.05 . . . . 0.0 113.185 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 mp -108.07 -51.63 2.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.671 0.748 . . . . 0.0 111.712 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p -103.04 53.2 0.77 Allowed 'General case' 0 C--N 1.292 -1.913 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.315 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.439 HG21 ' HB3' ' A' ' 16' ' ' CYS . 3.7 m -49.39 -66.04 0.46 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.349 1.06 . . . . 0.0 112.111 -174.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 56.5 m -90.29 -4.99 56.8 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 174.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -93.98 -4.05 50.38 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -171.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -89.98 162.89 15.17 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.427 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.6 m -70.64 -0.56 8.95 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -174.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.515 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 3.2 mmp_? -103.7 4.06 34.95 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.415 -0.803 . . . . 0.0 111.072 177.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.1 t -88.88 120.02 69.97 Favored Pre-proline 0 C--O 1.244 0.808 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 174.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.93 -36.7 97.98 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 123.475 2.783 . . . . 0.0 112.976 -175.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 68.1 m -68.12 -57.31 6.28 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.134 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -52.41 -51.94 56.4 Favored 'General case' 0 C--N 1.312 -1.049 0 O-C-N 124.588 1.18 . . . . 0.0 112.155 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -66.83 -31.61 72.33 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 123.592 0.558 . . . . 0.0 109.876 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 t -89.56 6.39 41.32 Favored 'General case' 0 CA--C 1.554 1.1 0 O-C-N 122.176 -0.328 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 69.23 23.43 6.32 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.716 0.807 . . . . 0.0 113.014 176.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -103.5 152.99 21.03 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.771 0.32 . . . . 0.0 111.703 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 p -84.52 154.01 22.94 Favored 'General case' 0 C--O 1.253 1.241 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.706 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.512 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 49.3 m -92.99 14.17 18.49 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.25 111.1 4.95 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 173.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.96 10.67 25.92 Favored Glycine 0 C--N 1.309 -0.952 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.159 -176.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.413 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 77.7 m -98.7 177.29 5.35 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 175.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -107.85 23.27 14.73 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.566 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 18.6 p -78.64 140.25 38.43 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.528 -179.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.6 t -117.67 121.07 66.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.408 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.86 37.76 43.56 Favored Glycine 0 CA--C 1.498 -0.982 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.566 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 2.7 t -68.64 109.91 4.01 Favored 'General case' 0 N--CA 1.426 -1.666 0 CA-C-N 114.177 -1.012 . . . . 0.0 111.815 -178.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -101.05 93.49 5.52 Favored 'General case' 0 N--CA 1.422 -1.845 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 170.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -111.77 116.21 50.25 Favored Pre-proline 0 C--N 1.298 -1.649 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -66.68 -12.83 37.49 Favored 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 122.482 2.121 . . . . 0.0 112.545 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -79.21 94.98 5.51 Favored 'General case' 0 CA--C 1.485 -1.524 0 CA-C-O 121.849 0.833 . . . . 0.0 112.833 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -140.39 67.34 1.37 Allowed 'General case' 0 N--CA 1.405 -2.703 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -69.01 131.0 44.36 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 173.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -90.52 81.94 5.9 Favored 'General case' 0 C--N 1.289 -2.042 0 C-N-CA 118.131 -1.428 . . . . 0.0 111.839 -173.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -104.38 134.18 48.01 Favored 'General case' 0 C--N 1.266 -3.038 0 CA-C-N 113.459 -1.7 . . . . 0.0 107.383 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.287 -2.152 0 CA-C-O 118.512 -0.756 . . . . 0.0 109.065 -176.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -74.09 114.92 4.15 Favored 'Trans proline' 0 C--O 1.241 0.659 0 C-N-CA 122.526 2.15 . . . . 0.0 111.168 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -88.63 158.27 6.38 Favored 'Trans proline' 0 N--CA 1.428 -2.377 0 C-N-CA 121.998 1.799 . . . . 0.0 110.872 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -79.01 134.32 60.06 Favored Pre-proline 0 C--N 1.298 -1.672 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 171.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -48.64 132.21 25.21 Favored 'Trans proline' 0 CA--C 1.502 -1.091 0 C-N-CA 123.552 2.834 . . . . 0.0 113.652 -174.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -132.77 152.63 51.73 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.331 -176.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.6 p -133.88 175.31 9.57 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.103 0.478 . . . . 0.0 110.893 -174.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.405 ' HB2' HD12 ' A' ' 18' ' ' ILE . 34.2 ptt180 -137.12 37.4 2.55 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.112 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 61.8 m -61.0 146.89 45.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.139 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.95 -19.16 55.41 Favored Glycine 0 C--N 1.304 -1.233 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.507 178.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.405 HD12 ' HB2' ' A' ' 15' ' ' ARG . 33.7 mt -79.44 -50.55 17.96 Favored 'Isoleucine or valine' 0 C--O 1.246 0.91 0 N-CA-C 111.546 0.202 . . . . 0.0 111.546 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -128.93 77.78 1.81 Allowed 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 120.847 0.356 . . . . 0.0 111.624 -175.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.96 -64.24 2.35 Favored Glycine 0 C--O 1.251 1.174 0 CA-C-N 115.696 -0.684 . . . . 0.0 114.496 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 m 67.76 179.02 0.23 Allowed 'General case' 0 C--O 1.245 0.829 0 C-N-CA 124.874 1.27 . . . . 0.0 110.831 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -72.45 -38.14 68.37 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.555 0.693 . . . . 0.0 109.698 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -149.79 128.39 12.34 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 105.212 -2.144 . . . . 0.0 105.212 175.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.7 m -75.63 -26.46 57.8 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 120.895 0.379 . . . . 0.0 111.809 -176.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 mp -85.52 -44.24 12.86 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.506 0.67 . . . . 0.0 109.41 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.3 m -107.09 45.59 0.98 Allowed 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.414 -1.266 . . . . 0.0 108.34 -172.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 p -52.15 -65.99 0.46 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.32 -1.309 . . . . 0.0 113.395 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.442 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 71.9 m -89.33 -4.7 58.0 Favored 'General case' 0 C--N 1.281 -2.383 0 CA-C-N 114.244 -1.344 . . . . 0.0 113.817 -176.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -96.72 -5.37 38.85 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.078 0.466 . . . . 0.0 111.646 -175.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -102.21 159.29 15.53 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.203 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.3 m -67.67 -6.96 23.09 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -173.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -89.04 -6.08 57.43 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 121.434 -0.791 . . . . 0.0 110.873 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 28' ' ' CYS . 53.7 t -83.46 124.96 75.11 Favored Pre-proline 0 N--CA 1.441 -0.921 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 175.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -57.84 -34.69 98.62 Favored 'Trans proline' 0 C--O 1.208 -1.015 0 C-N-CA 123.057 2.505 . . . . 0.0 112.307 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 79.6 m -64.8 -55.18 21.23 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 65.7 t80 -57.67 -49.2 77.29 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.136 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -70.83 -28.62 64.74 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.396 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -102.31 21.95 14.17 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.82 -0.55 . . . . 0.0 112.253 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 62.07 31.66 17.8 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 169.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -119.29 152.89 35.94 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -80.4 176.24 9.95 Favored 'General case' 0 N--CA 1.409 -2.488 0 CA-C-N 114.75 -1.113 . . . . 0.0 109.834 175.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 67.4 m -107.47 19.57 20.07 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -176.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.63 107.82 1.86 Allowed 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 172.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.59 14.0 22.77 Favored Glycine 0 N--CA 1.433 -1.514 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.562 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.2 m -99.8 172.71 7.08 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 117.231 0.516 . . . . 0.0 111.472 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -106.26 13.95 28.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.486 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 17.9 p -77.59 135.91 38.21 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.387 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.0 t -120.48 130.65 74.22 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.42 28.48 32.94 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 -176.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.445 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 2.9 t -75.87 113.73 13.69 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.858 1.263 . . . . 0.0 113.105 -175.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -106.46 94.18 5.0 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 104.624 -2.361 . . . . 0.0 104.624 168.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -110.78 111.81 56.48 Favored Pre-proline 0 C--N 1.287 -2.123 0 C-N-CA 119.126 -1.03 . . . . 0.0 108.849 175.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -65.41 -10.27 25.46 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.756 2.304 . . . . 0.0 112.279 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -90.2 95.86 10.4 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 176.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -75.29 144.04 42.66 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 2.0 pm0 -70.49 116.43 10.81 Favored 'General case' 0 C--N 1.28 -2.44 0 CA-C-O 121.482 0.658 . . . . 0.0 110.408 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -69.98 -26.24 63.99 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.095 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -94.63 103.36 15.29 Favored 'General case' 0 C--N 1.284 -2.259 0 CA-C-N 114.546 -1.206 . . . . 0.0 108.656 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.291 -1.977 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.922 177.714 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.1 t . . . . . 0 N--CA 1.433 -1.279 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.14 146.31 86.52 Favored 'Trans proline' 0 C--O 1.252 1.181 0 C-N-CA 121.967 1.778 . . . . 0.0 110.165 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -48.93 127.48 17.08 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.134 2.556 . . . . 0.0 112.251 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' HZ3' ' HB3' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -74.28 163.51 67.81 Favored Pre-proline 0 C--N 1.306 -1.3 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.694 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.439 ' HB2' ' HB2' ' A' ' 34' ' ' PRO . 4.0 Cg_exo -71.16 126.8 12.75 Favored 'Trans proline' 0 N--CA 1.43 -2.262 0 C-N-CA 120.645 0.897 . . . . 0.0 110.249 175.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -111.62 116.4 30.74 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.296 -174.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 25.5 p -79.21 157.01 27.91 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.383 -1.281 . . . . 0.0 112.49 -172.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -125.97 27.9 6.24 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.669 -1.15 . . . . 0.0 108.445 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 38.8 m -55.56 126.69 26.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.117 -1.402 . . . . 0.0 111.418 -177.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.82 -43.44 1.7 Allowed Glycine 0 C--N 1.296 -1.646 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.7 mt -84.75 -43.3 17.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 174.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -106.61 139.92 40.3 Favored 'General case' 0 N--CA 1.414 -2.257 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 175.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.02 168.29 48.73 Favored Glycine 0 C--O 1.247 0.934 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.365 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 t -155.92 -53.74 0.09 Allowed 'General case' 0 C--O 1.249 1.07 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.3 p -146.47 -74.14 0.22 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.721 0.772 . . . . 0.0 109.13 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -142.92 161.15 38.88 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.3 m -69.6 -31.59 69.82 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 121.4 0.619 . . . . 0.0 109.653 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.76 -26.93 66.36 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.417 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.9 p -121.97 36.32 4.65 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -176.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.7 -64.08 0.86 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.782 0.833 . . . . 0.0 113.154 -178.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 93.8 m -89.71 -4.79 57.55 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 176.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -98.91 29.94 3.59 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.64 0.733 . . . . 0.0 111.082 -171.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -132.29 161.96 32.19 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.2 m -69.01 -5.07 19.48 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -174.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -96.52 0.69 50.55 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.352 0.596 . . . . 0.0 110.013 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.1 t -92.32 122.59 64.38 Favored Pre-proline 0 N--CA 1.43 -1.453 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.658 ' O ' ' HB2' ' A' ' 38' ' ' SER . 16.2 Cg_endo -62.92 -9.78 17.91 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.383 2.722 . . . . 0.0 113.048 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 87.8 m -88.85 -50.35 6.27 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.024 175.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.517 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 59.9 t80 -63.16 -57.34 10.86 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.359 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 8.8 tmtm? -80.9 -37.92 28.88 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.92 -171.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.658 ' HB2' ' O ' ' A' ' 34' ' ' PRO . 19.2 m -87.07 1.31 53.35 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.159 0.504 . . . . 0.0 111.297 -177.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 62.27 63.89 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.356 1.062 . . . . 0.0 113.075 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -128.77 160.19 33.34 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.583 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 p -101.87 156.02 17.78 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 177.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.485 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 80.2 m -83.2 68.11 9.47 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.737 0.78 . . . . 0.0 111.589 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.5 96.28 7.03 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.165 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.21 10.83 59.2 Favored Glycine 0 C--N 1.31 -0.902 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.822 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.485 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 79.3 m -76.82 152.17 35.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -105.29 27.14 8.57 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 121.547 0.689 . . . . 0.0 111.317 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 p -76.04 146.32 39.53 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.222 174.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.6 t -104.82 116.74 49.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.498 -174.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.82 37.76 94.18 Favored Glycine 0 C--O 1.243 0.699 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.951 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 16.4 p -64.97 139.63 58.78 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.317 0.58 . . . . 0.0 111.598 -173.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -106.84 94.99 5.41 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 172.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -110.0 117.49 51.81 Favored Pre-proline 0 C--N 1.296 -1.726 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 177.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.28 -36.52 78.47 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.931 2.421 . . . . 0.0 112.828 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -114.94 101.18 8.78 Favored 'General case' 0 N--CA 1.42 -1.934 0 CA-C-O 122.143 0.973 . . . . 0.0 112.571 -177.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -167.39 -178.37 3.99 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 114.067 -1.424 . . . . 0.0 107.762 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -87.09 102.03 14.04 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.708 0.766 . . . . 0.0 110.948 -176.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -85.23 128.68 34.77 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.738 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -94.42 110.91 22.65 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-O 122.086 0.946 . . . . 0.0 111.775 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.416 -2.143 0 CA-C-N 113.608 -1.633 . . . . 0.0 108.198 -179.773 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.2 p . . . . . 0 N--CA 1.439 -1.004 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -80.52 130.11 7.75 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.128 1.885 . . . . 0.0 110.732 175.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -65.83 127.11 17.16 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.455 2.103 . . . . 0.0 112.078 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -112.61 132.33 22.27 Favored Pre-proline 0 C--N 1.299 -1.589 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -67.65 132.05 25.98 Favored 'Trans proline' 0 N--CA 1.442 -1.504 0 C-N-CA 121.48 1.453 . . . . 0.0 109.54 173.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -102.24 110.34 22.27 Favored 'General case' 0 C--N 1.278 -2.539 0 CA-C-O 122.143 0.973 . . . . 0.0 110.894 -173.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.688 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 11.5 p -85.19 139.92 31.3 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-N 114.356 -1.293 . . . . 0.0 111.482 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -113.7 38.4 2.96 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -175.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.688 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 50.2 m -63.11 153.37 34.4 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 113.157 -1.838 . . . . 0.0 110.988 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.462 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . 92.44 -36.48 3.67 Favored Glycine 0 CA--C 1.496 -1.156 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.614 176.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.9 mt -76.83 -25.22 15.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.6 t -139.55 122.01 16.15 Favored 'General case' 0 N--CA 1.406 -2.64 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 177.78 121.4 0.69 Allowed Glycine 0 N--CA 1.432 -1.573 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.3 m -77.44 95.69 4.52 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 t 71.35 -38.61 0.43 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 125.208 1.403 . . . . 0.0 113.968 173.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -75.23 93.77 2.89 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.376 0.608 . . . . 0.0 109.536 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.7 t -110.87 1.96 17.93 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 114.794 -1.093 . . . . 0.0 109.499 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -105.52 -29.21 10.32 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.236 -175.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m -125.47 25.58 7.01 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -46.36 -64.15 0.83 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.055 1.742 . . . . 0.0 112.257 -176.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 60.0 m -86.67 -3.6 59.06 Favored 'General case' 0 C--O 1.205 -1.273 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 178.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 77.6 ttt180 -102.6 16.58 26.0 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 121.676 0.751 . . . . 0.0 111.182 -176.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -128.82 165.27 21.32 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.683 -1.26 . . . . 0.0 110.929 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 m -64.28 -11.37 31.08 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -173.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.2 mtt85 -80.3 -12.13 59.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 50.3 t -90.04 116.47 66.44 Favored Pre-proline 0 N--CA 1.436 -1.146 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.74 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.17 -12.23 31.73 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.116 2.544 . . . . 0.0 112.325 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 11.1 t -85.55 -46.48 10.79 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.507 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 78.9 t80 -66.79 -47.3 72.54 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.916 -178.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -73.58 -11.62 60.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.28 0.562 . . . . 0.0 110.551 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -99.32 4.72 46.54 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 61.65 27.22 16.7 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 125.498 1.519 . . . . 0.0 111.31 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -96.44 155.74 16.64 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.23 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 p -89.87 152.79 21.08 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.062 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.499 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 80.5 m -85.1 73.76 10.6 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 122.163 0.983 . . . . 0.0 110.901 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.47 107.78 18.97 Favored 'General case' 0 C--N 1.275 -2.636 0 CA-C-N 113.75 -1.568 . . . . 0.0 108.543 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.02 2.75 68.61 Favored Glycine 0 C--N 1.31 -0.889 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.819 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.499 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 65.7 m -78.58 150.38 32.78 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -103.0 27.86 6.75 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.747 0.784 . . . . 0.0 110.204 -178.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.514 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 14.3 p -76.14 139.32 41.24 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.818 -1.083 . . . . 0.0 112.67 -177.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.462 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 43.2 t -115.0 141.15 32.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 178.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.7 48.21 63.31 Favored Glycine 0 C--O 1.238 0.4 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.4 t -100.21 125.03 46.32 Favored 'General case' 0 N--CA 1.411 -2.389 0 CA-C-N 114.902 -0.649 . . . . 0.0 111.442 -174.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 95.3 mttt -124.39 94.9 4.34 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 169.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -109.18 112.08 59.81 Favored Pre-proline 0 C--N 1.299 -1.599 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.53 -25.99 54.84 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.417 2.078 . . . . 0.0 111.472 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -79.13 132.34 36.53 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.182 0.515 . . . . 0.0 110.173 -176.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -122.06 -164.93 1.2 Allowed 'General case' 0 C--N 1.285 -2.227 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -74.33 98.62 3.28 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 175.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.3 t70 68.54 115.2 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.516 1.526 . . . . 0.0 109.744 -171.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -140.12 110.21 6.52 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.141 -173.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 C--N 1.31 -1.114 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 173.872 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.434 -1.25 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.01 142.28 38.22 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.143 1.895 . . . . 0.0 110.341 178.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -78.23 146.78 22.72 Favored 'Trans proline' 0 C--O 1.248 1.007 0 C-N-CA 122.123 1.882 . . . . 0.0 110.889 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -86.99 150.24 49.53 Favored Pre-proline 0 C--N 1.299 -1.61 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -61.9 150.77 84.85 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.204 1.936 . . . . 0.0 111.48 176.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -135.92 152.95 51.52 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.001 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.0 p -141.31 160.99 38.97 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-O 121.063 0.459 . . . . 0.0 111.0 -172.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -123.28 34.82 5.01 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.8 m -54.49 142.94 25.64 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.547 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.66 -37.02 3.58 Favored Glycine 0 C--N 1.298 -1.551 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.9 mt -86.62 -47.33 16.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 p -72.16 -39.66 68.57 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.776 -178.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.18 151.38 23.54 Favored Glycine 0 N--CA 1.43 -1.744 0 C-N-CA 120.472 -0.871 . . . . 0.0 111.431 -178.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.9 m -122.1 19.37 10.77 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 123.215 0.606 . . . . 0.0 109.853 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.3 m -64.81 -35.77 82.17 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 122.017 0.913 . . . . 0.0 108.576 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.424 ' O ' HG23 ' A' ' 27' ' ' THR . 44.4 m-80 -110.9 118.61 36.58 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.9 p -100.41 -41.96 6.81 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.108 0.48 . . . . 0.0 111.078 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.2 tt -100.62 -39.22 7.99 Favored 'General case' 0 N--CA 1.412 -2.336 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 p -88.01 23.09 2.17 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.713 -178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -51.11 -66.49 0.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.428 1.491 . . . . 0.0 111.499 -175.119 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 94.6 m -90.53 -4.24 57.05 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.912 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -95.72 -2.45 47.86 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.951 -171.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -103.56 161.5 13.84 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.644 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -64.78 -8.67 15.91 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -174.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -93.89 3.95 54.63 Favored 'General case' 0 C--O 1.244 0.806 0 O-C-N 121.957 -0.464 . . . . 0.0 111.498 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.6 t -90.0 119.77 69.33 Favored Pre-proline 0 N--CA 1.427 -1.581 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 171.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.03 -23.97 78.56 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 C-N-CA 122.778 2.319 . . . . 0.0 112.754 -173.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 80.8 m -75.02 -58.39 3.31 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -49.24 -55.33 12.95 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 124.957 1.303 . . . . 0.0 112.912 -176.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -72.92 -16.38 61.55 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.442 -174.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.2 m -103.81 15.62 28.29 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 70.22 21.96 5.68 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.237 1.015 . . . . 0.0 113.229 175.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -111.41 152.53 27.25 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.617 ' HB2' ' OE2' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -90.99 178.07 6.11 Favored 'General case' 0 N--CA 1.396 -3.169 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.834 178.268 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 96.4 m -111.42 19.11 18.54 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -173.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.22 116.26 12.44 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.39 -0.924 . . . . 0.0 108.71 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.03 -10.4 34.13 Favored Glycine 0 C--N 1.308 -0.989 0 C-N-CA 121.463 -0.399 . . . . 0.0 112.502 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.9 m -78.88 179.46 7.25 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -116.69 18.64 14.86 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-O 121.415 0.626 . . . . 0.0 109.996 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.4 p -67.78 140.66 56.67 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.885 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -116.1 130.47 70.78 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.203 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.54 42.91 31.69 Favored Glycine 0 CA--C 1.492 -1.368 0 N-CA-C 109.156 -1.578 . . . . 0.0 109.156 -175.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.3 t -82.69 109.31 16.75 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -174.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -105.79 93.92 4.9 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 166.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.566 ' OD1' ' HA ' ' A' ' 41' ' ' SER . 26.1 t-20 -111.05 115.38 52.92 Favored Pre-proline 0 C--N 1.29 -1.999 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 176.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -65.86 -6.81 15.02 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.149 2.566 . . . . 0.0 114.526 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -94.92 135.73 36.08 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.43 0.633 . . . . 0.0 110.656 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -95.06 154.66 17.07 Favored 'General case' 0 C--N 1.284 -2.279 0 N-CA-C 105.05 -2.204 . . . . 0.0 105.05 174.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.617 ' OE2' ' HB2' ' A' ' 41' ' ' SER . 57.2 mm-40 -61.71 109.95 1.37 Allowed 'General case' 0 C--O 1.242 0.703 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 174.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.74 80.02 0.44 Allowed 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 122.114 0.959 . . . . 0.0 112.434 -171.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -148.16 84.31 1.51 Allowed 'General case' 0 C--N 1.263 -3.183 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 174.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 C--N 1.298 -1.66 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.322 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.244 0.799 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -78.51 133.14 11.54 Favored 'Trans proline' 0 N--CA 1.444 -1.43 0 C-N-CA 121.779 1.652 . . . . 0.0 109.82 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -64.57 126.54 17.02 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 121.491 1.461 . . . . 0.0 109.899 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -104.37 154.23 38.49 Favored Pre-proline 0 C--N 1.295 -1.79 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.976 -176.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.92 146.35 87.08 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.838 2.359 . . . . 0.0 112.025 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -123.19 147.49 46.81 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.23 164.79 26.59 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.019 -172.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.72 26.11 9.93 Favored 'General case' 0 C--O 1.249 1.041 0 C-N-CA 124.126 0.97 . . . . 0.0 108.878 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.406 ' HB3' HG21 ' A' ' 27' ' ' THR . 70.8 m -55.14 134.71 49.6 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.03 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . 104.46 -37.47 3.76 Favored Glycine 0 C--N 1.299 -1.481 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.9 mt -84.74 -53.01 11.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.4 m -137.48 106.73 6.05 Favored 'General case' 0 N--CA 1.423 -1.816 0 CA-C-N 114.143 -1.39 . . . . 0.0 108.142 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.25 64.78 0.01 OUTLIER Glycine 0 N--CA 1.428 -1.853 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.7 p -75.28 99.87 4.2 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-O 121.297 0.57 . . . . 0.0 110.639 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.9 m -144.06 37.47 1.28 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 73.85 135.35 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.6 1.56 . . . . 0.0 111.621 -176.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 m -70.09 -11.4 60.86 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-O 121.779 0.799 . . . . 0.0 111.275 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -83.76 -19.42 35.13 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.157 0.504 . . . . 0.0 110.232 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.535 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 1.4 p -133.94 22.4 3.86 Favored 'General case' 0 N--CA 1.428 -1.544 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -175.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.406 HG21 ' HB3' ' A' ' 16' ' ' CYS . 0.2 OUTLIER -53.84 -65.16 0.62 Allowed 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 123.631 0.773 . . . . 0.0 111.689 -176.058 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 95.6 m -89.02 -3.9 58.56 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 177.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.535 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 62.4 ttt180 -99.54 8.81 44.17 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.386 -173.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -115.96 171.1 7.99 Favored 'General case' 0 C--N 1.31 -1.125 0 O-C-N 121.379 -0.826 . . . . 0.0 109.342 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -70.53 -7.03 40.64 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -172.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -87.29 -11.61 49.05 Favored 'General case' 0 CA--C 1.505 -0.777 0 O-C-N 121.909 -0.494 . . . . 0.0 110.375 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.4 t -86.88 114.92 60.55 Favored Pre-proline 0 N--CA 1.417 -2.098 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 176.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.08 -25.26 77.23 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.311 2.674 . . . . 0.0 111.992 -175.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.8 m -70.83 -58.89 3.16 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.408 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.5 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 83.5 t80 -56.28 -45.11 80.3 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.947 0.899 . . . . 0.0 111.797 -178.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -74.13 -10.2 59.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.705 0.764 . . . . 0.0 110.462 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 t -106.01 3.64 28.5 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 176.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 64.82 22.45 12.53 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.102 0.961 . . . . 0.0 111.889 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -103.28 160.8 14.36 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.403 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 p -86.0 176.05 8.25 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.628 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 95.6 m -103.76 70.44 1.01 Allowed 'General case' 0 N--CA 1.418 -2.026 0 CA-C-O 121.578 0.704 . . . . 0.0 110.959 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.64 105.28 15.07 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.628 175.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.44 13.83 23.46 Favored Glycine 0 N--CA 1.437 -1.252 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.119 -177.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.8 m -95.58 169.22 10.19 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-O 121.309 0.576 . . . . 0.0 109.96 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -117.56 25.51 10.36 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.4 p -75.3 145.26 41.96 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.451 -1.25 . . . . 0.0 112.256 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.449 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 87.4 t -119.28 135.22 60.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 C-N-CA 125.178 1.391 . . . . 0.0 107.622 -179.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.41 40.69 91.46 Favored Glycine 0 C--O 1.245 0.794 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -178.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.6 t -76.86 109.76 10.92 Favored 'General case' 0 N--CA 1.413 -2.307 0 CA-C-N 114.213 -0.993 . . . . 0.0 111.626 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 34.4 mmtp -108.36 93.24 4.42 Favored 'General case' 0 N--CA 1.413 -2.29 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 168.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -112.7 118.87 44.32 Favored Pre-proline 0 C--N 1.286 -2.191 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 175.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.18 -25.73 79.15 Favored 'Trans proline' 0 C--O 1.242 0.703 0 C-N-CA 122.366 2.044 . . . . 0.0 111.499 174.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -84.55 149.6 25.79 Favored 'General case' 0 N--CA 1.435 -1.2 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.934 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -156.02 176.28 12.85 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.7 -171.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -81.92 85.03 6.75 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -143.45 123.14 13.33 Favored 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 -177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -63.72 118.01 7.68 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 123.635 0.585 . . . . 0.0 111.171 -176.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.313 -1.017 0 CA-C-O 118.282 -0.866 . . . . 0.0 112.349 -178.629 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.435 -1.218 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -70.0 140.27 41.37 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.601 2.201 . . . . 0.0 111.112 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -70.79 155.99 61.52 Favored 'Trans proline' 0 C--O 1.251 1.144 0 C-N-CA 122.116 1.877 . . . . 0.0 111.764 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -125.24 168.52 13.36 Favored Pre-proline 0 C--N 1.305 -1.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.744 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.91 150.97 43.44 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.695 2.263 . . . . 0.0 113.384 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -132.58 150.86 52.09 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 115.203 -0.908 . . . . 0.0 108.694 179.666 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.2 p -144.62 167.44 22.53 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 -125.43 24.85 7.21 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -176.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m -57.22 107.75 0.45 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.55 -1.204 . . . . 0.0 110.277 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . 130.56 -29.11 3.66 Favored Glycine 0 C--N 1.297 -1.626 0 C-N-CA 119.76 -1.21 . . . . 0.0 112.557 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.0 mm -62.74 -43.03 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 175.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.8 t -124.59 86.58 2.58 Favored 'General case' 0 N--CA 1.405 -2.682 0 N-CA-C 104.567 -2.383 . . . . 0.0 104.567 169.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.55 39.27 1.3 Allowed Glycine 0 N--CA 1.426 -1.988 0 C-N-CA 120.027 -1.082 . . . . 0.0 112.487 -174.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -80.38 -33.27 37.28 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 173.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.7 m -86.83 111.27 20.6 Favored 'General case' 0 N--CA 1.418 -2.029 0 N-CA-C 104.679 -2.341 . . . . 0.0 104.679 167.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.507 ' O ' HG23 ' A' ' 27' ' ' THR . 93.3 m-20 74.03 84.03 0.11 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.044 0.938 . . . . 0.0 110.481 -173.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.7 m -105.1 -19.28 13.87 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-O 121.504 0.668 . . . . 0.0 110.369 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mp -106.63 -37.61 6.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.503 0.668 . . . . 0.0 109.395 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -97.62 29.67 3.23 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -56.17 -66.04 0.5 Allowed 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 124.742 1.217 . . . . 0.0 110.543 -178.412 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.6 m -90.4 -5.56 56.01 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.044 -0.98 . . . . 0.0 113.543 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -96.33 -1.68 47.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.25 0.547 . . . . 0.0 112.422 -174.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -87.34 160.21 18.47 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.009 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -71.82 -2.36 17.45 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -99.72 3.73 45.13 Favored 'General case' 0 N--CA 1.438 -1.026 0 O-C-N 121.981 -0.449 . . . . 0.0 110.545 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.2 t -85.92 118.34 70.33 Favored Pre-proline 0 N--CA 1.435 -1.192 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 173.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.82 -33.19 94.0 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.804 2.336 . . . . 0.0 112.659 -174.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.9 m -68.76 -54.09 18.05 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.602 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -53.52 -51.47 62.75 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 124.414 1.086 . . . . 0.0 111.765 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -26.59 63.37 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.854 0.359 . . . . 0.0 111.211 -177.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.8 t -84.99 -3.49 58.79 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.519 ' HD1' ' CE1' ' A' ' 54' ' ' HIS . 47.6 m-85 68.48 21.09 8.29 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.675 1.19 . . . . 0.0 111.265 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -97.6 166.26 11.59 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.127 -178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 p -90.51 165.46 13.78 Favored 'General case' 0 N--CA 1.418 -2.062 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.868 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 96.7 m -95.02 69.56 3.25 Favored 'General case' 0 N--CA 1.429 -1.52 0 CA-C-O 122.057 0.932 . . . . 0.0 110.764 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.61 113.35 25.91 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 113.888 -1.505 . . . . 0.0 108.01 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.02 14.17 40.41 Favored Glycine 0 N--CA 1.435 -1.416 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 71.6 m -95.42 168.63 10.59 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-O 121.119 0.485 . . . . 0.0 110.744 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.76 26.13 9.54 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.0 p -80.71 143.68 32.8 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.567 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.465 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 60.7 t -130.44 116.97 37.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -175.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.57 39.3 6.74 Favored Glycine 0 C--N 1.303 -1.285 0 N-CA-C 108.526 -1.83 . . . . 0.0 108.526 -173.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.6 t -81.59 109.85 16.42 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 114.222 -0.989 . . . . 0.0 112.765 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -109.24 92.61 4.12 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 168.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -113.04 112.71 49.84 Favored Pre-proline 0 C--N 1.306 -1.313 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.686 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.22 -13.58 33.68 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.245 1.963 . . . . 0.0 111.683 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.519 ' CE1' ' HD1' ' A' ' 39' ' ' TYR . 86.3 m-70 -85.05 105.31 15.7 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-O 121.916 0.865 . . . . 0.0 110.908 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -98.4 162.65 13.05 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 106.32 -1.734 . . . . 0.0 106.32 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -83.18 84.45 7.48 Favored 'General case' 0 N--CA 1.426 -1.641 0 C-N-CA 117.921 -1.511 . . . . 0.0 109.604 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -103.44 -17.66 15.14 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 112.441 -2.163 . . . . 0.0 108.156 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -84.56 102.59 12.99 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.617 -1.629 . . . . 0.0 109.942 -174.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.301 -1.531 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.901 179.797 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo . . . . . 0 N--CA 1.443 -1.448 0 N-CA-C 109.786 -0.89 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -124.54 144.41 50.14 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.9 p -135.54 166.44 23.19 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.972 -175.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -126.17 32.16 5.28 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.2 m -56.67 106.61 0.31 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.89 0.744 . . . . 0.0 110.844 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.595 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 -178.816 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.456 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 22.6 p . . . . . 0 N--CA 1.433 -1.297 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 m -57.87 -65.45 0.64 Allowed 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.888 0.375 . . . . 0.0 110.545 -177.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 59.2 m -89.5 -5.25 57.47 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.456 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 46.2 ttp180 -94.01 3.82 54.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.969 0.414 . . . . 0.0 111.411 -174.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -104.52 167.25 9.86 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.864 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.5 m -73.44 -1.52 18.7 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -173.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -82.48 -4.35 57.35 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.4 t -97.22 113.26 62.9 Favored Pre-proline 0 N--CA 1.437 -1.103 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -59.11 -35.46 97.95 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.102 2.535 . . . . 0.0 112.599 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.3 m -60.43 -55.35 34.64 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 123.36 0.664 . . . . 0.0 110.287 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -52.03 -54.83 25.28 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.045 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -64.4 -34.62 78.6 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.017 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.4 m -97.13 19.72 12.5 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 60.77 39.11 17.64 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -128.66 150.68 50.13 Favored 'General case' 0 CA--C 1.491 -1.323 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 p -79.29 162.21 25.78 Favored 'General case' 0 N--CA 1.417 -2.08 0 CA-C-N 113.563 -1.653 . . . . 0.0 110.662 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 88.3 m -90.06 75.71 7.07 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-O 122.36 1.076 . . . . 0.0 110.765 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.18 102.26 11.76 Favored 'General case' 0 C--N 1.286 -2.177 0 CA-C-N 113.877 -1.51 . . . . 0.0 110.089 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.74 14.28 27.62 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.129 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.1 m -94.18 171.31 8.92 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 120.997 0.427 . . . . 0.0 110.642 -176.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -119.77 44.69 2.33 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 174.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 12.1 p -88.7 140.85 29.03 Favored 'General case' 0 N--CA 1.423 -1.788 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.261 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.6 t -118.8 116.92 52.66 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.18 42.37 8.05 Favored Glycine 0 N--CA 1.428 -1.866 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -178.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.508 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 12.8 t -79.08 110.05 13.96 Favored 'General case' 0 N--CA 1.414 -2.272 0 CA-C-N 114.763 -0.718 . . . . 0.0 112.039 -176.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -112.47 93.72 4.57 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 105.152 -2.166 . . . . 0.0 105.152 166.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -110.27 116.98 52.38 Favored Pre-proline 0 C--N 1.296 -1.755 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -76.09 -8.11 18.59 Favored 'Trans proline' 0 C--O 1.239 0.527 0 C-N-CA 122.922 2.415 . . . . 0.0 112.76 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 . . . . . 0 CA--C 1.492 -1.252 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.343 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo . . . . . 0 C--O 1.234 0.287 0 N-CA-C 113.931 0.704 . . . . 0.0 113.931 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -126.55 152.81 46.07 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.5 p -138.51 169.31 18.02 Favored 'General case' 0 C--O 1.259 1.559 0 CA-C-O 121.022 0.439 . . . . 0.0 111.297 -175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -123.12 28.38 7.18 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.679 -1.146 . . . . 0.0 108.354 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.516 ' HB3' HG22 ' A' ' 27' ' ' THR . 86.3 m -52.98 134.05 37.99 Favored 'General case' 0 C--O 1.213 -0.863 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.865 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.789 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -176.724 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.512 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 0.3 OUTLIER . . . . . 0 CA--C 1.549 0.926 0 CA-C-O 121.265 0.555 . . . . 0.0 110.519 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.516 HG22 ' HB3' ' A' ' 16' ' ' CYS . 1.9 m -53.51 -62.84 1.39 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.025 1.73 . . . . 0.0 111.556 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -87.94 -4.58 58.81 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.338 0.589 . . . . 0.0 112.515 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.512 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 69.1 ttt180 -94.94 7.31 46.44 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.8 -175.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -119.12 168.68 10.62 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -74.55 -1.05 19.7 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -171.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -84.18 -12.44 54.89 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-O 121.525 0.679 . . . . 0.0 109.815 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.8 t -84.34 114.57 55.59 Favored Pre-proline 0 N--CA 1.434 -1.26 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 175.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.63 -27.09 84.11 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 123.073 2.515 . . . . 0.0 112.355 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.6 m -66.66 -61.69 1.84 Allowed 'General case' 0 CA--C 1.506 -0.738 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.378 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -53.41 -45.9 69.52 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.212 1.005 . . . . 0.0 110.77 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -66.79 -25.06 66.28 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.796 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.3 m -103.0 15.98 27.93 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.391 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 65.97 21.66 11.3 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.157 0.983 . . . . 0.0 112.091 176.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -103.74 163.06 12.57 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -177.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.3 p -91.27 170.21 10.18 Favored 'General case' 0 N--CA 1.418 -2.058 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.408 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 99.0 m -102.46 71.31 1.2 Allowed 'General case' 0 N--CA 1.418 -2.068 0 CA-C-O 121.817 0.818 . . . . 0.0 110.867 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.5 112.67 24.38 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 114.35 -1.295 . . . . 0.0 108.024 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.47 13.27 42.02 Favored Glycine 0 C--N 1.305 -1.172 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -175.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.9 m -96.31 165.47 12.19 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -120.54 27.09 8.76 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.1 p -69.88 144.07 52.61 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 113.774 -1.557 . . . . 0.0 112.075 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.96 127.33 71.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.09 47.25 11.48 Favored Glycine 0 CA--C 1.505 -0.544 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.1 t -91.34 110.07 21.36 Favored 'General case' 0 N--CA 1.409 -2.481 0 CA-C-O 121.279 0.561 . . . . 0.0 112.149 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 94.31 4.81 Favored 'General case' 0 N--CA 1.417 -2.104 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 167.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -107.5 117.78 54.98 Favored Pre-proline 0 C--N 1.289 -2.061 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.78 -21.95 71.83 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.214 2.609 . . . . 0.0 112.575 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 71.7 m80 . . . . . 0 CA--C 1.501 -0.911 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.924 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo . . . . . 0 N--CA 1.449 -1.123 0 N-CA-C 108.665 -1.321 . . . . 0.0 108.665 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -109.49 133.08 53.52 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 p -120.72 161.11 21.99 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.694 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -126.53 34.1 4.87 Favored 'General case' 0 C--O 1.247 0.959 0 C-N-CA 124.059 0.943 . . . . 0.0 108.809 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.2 m -57.23 129.36 41.44 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.421 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.699 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.912 177.777 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.618 ' OG1' ' HA ' ' A' ' 50' ' ' CYS . 1.0 OUTLIER -46.04 -65.04 0.61 Allowed 'General case' 0 C--O 1.209 -1.073 0 C-N-CA 126.167 1.787 . . . . 0.0 113.84 -174.311 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.098 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 71.6 m -88.95 -4.16 58.52 Favored 'General case' 0 C--N 1.278 -2.54 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 49.2 ttt180 -108.1 28.79 7.92 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.797 0.808 . . . . 0.0 110.73 -175.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -127.83 167.63 16.29 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -63.72 -15.29 58.12 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -173.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -89.84 -0.93 57.85 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.65 -0.656 . . . . 0.0 111.773 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.0 t -91.99 118.82 68.41 Favored Pre-proline 0 C--O 1.243 0.724 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.582 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.71 -31.44 86.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 122.857 2.371 . . . . 0.0 112.447 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.8 m -64.61 -55.02 22.95 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 79.3 t80 -54.27 -52.24 62.04 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 124.498 1.119 . . . . 0.0 111.749 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -70.29 -26.52 63.84 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.461 -174.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 t -94.49 1.45 55.73 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.435 0.636 . . . . 0.0 109.396 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 64.27 33.27 11.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.612 1.165 . . . . 0.0 112.568 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -111.82 165.29 12.19 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.923 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -96.05 167.6 11.12 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 124.193 0.997 . . . . 0.0 113.127 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 91.2 m -94.69 75.87 3.71 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.542 -0.753 . . . . 0.0 112.213 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.58 109.38 21.02 Favored 'General case' 0 C--N 1.277 -2.574 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.463 172.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.46 12.87 56.67 Favored Glycine 0 C--O 1.24 0.513 0 C-N-CA 121.374 -0.441 . . . . 0.0 112.586 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.0 m -82.37 167.38 18.57 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 120.801 0.334 . . . . 0.0 111.054 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -114.28 11.71 17.46 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.5 p -72.91 142.98 47.88 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.823 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 t -111.22 124.48 68.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.474 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.55 54.68 35.12 Favored Glycine 0 CA--C 1.497 -1.062 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 1.098 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 11.3 p -89.1 131.68 35.14 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.785 -176.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 48.9 mmtm -106.2 95.12 5.55 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 171.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -109.72 119.82 46.7 Favored Pre-proline 0 C--N 1.294 -1.846 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -56.33 -31.03 83.34 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.998 2.466 . . . . 0.0 111.376 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 . . . . . 0 C--N 1.312 -1.044 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.319 -177.732 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo . . . . . 0 C--O 1.242 0.682 0 CA-C-O 120.786 0.244 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -112.46 119.68 39.06 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 121.439 0.637 . . . . 0.0 109.716 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -91.79 157.8 16.69 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.586 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.573 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 3.0 tmm_? -124.96 41.13 3.59 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.584 ' HB3' HG22 ' A' ' 27' ' ' THR . 73.0 m -65.22 138.35 58.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 113.679 -1.6 . . . . 0.0 110.831 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.052 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 174.157 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 p . . . . . 0 CA--C 1.519 -0.237 0 CA-C-O 120.837 0.351 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.584 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -47.95 -64.82 0.69 Allowed 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 126.049 1.74 . . . . 0.0 113.583 -174.461 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.7 m -87.34 -4.84 59.06 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 24.9 ttt180 -91.63 -7.09 51.01 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.984 0.421 . . . . 0.0 111.715 -175.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -107.51 173.96 6.09 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.503 -177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -66.75 -4.47 9.14 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -173.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -88.46 -0.87 57.67 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.329 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.8 t -101.15 113.76 65.8 Favored Pre-proline 0 N--CA 1.415 -2.176 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -62.04 -23.95 76.18 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 122.86 2.373 . . . . 0.0 112.08 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.1 m -69.38 -61.23 1.87 Allowed 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.732 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -52.58 -48.67 66.08 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 123.772 0.829 . . . . 0.0 111.954 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -34.18 75.73 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.604 -175.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -97.55 18.58 15.12 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 69.93 17.01 7.58 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.648 1.179 . . . . 0.0 113.95 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -94.26 170.02 9.81 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 121.443 0.64 . . . . 0.0 112.027 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.0 p -101.58 165.22 11.35 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.074 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.635 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 65.9 m -106.06 14.69 27.46 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.48 109.23 7.79 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 173.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.13 11.86 24.99 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.151 -177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.635 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 75.2 m -97.4 -175.35 3.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.218 0.532 . . . . 0.0 110.876 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -118.45 36.57 4.34 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.522 ' SG ' ' HB3' ' A' ' 42' ' ' CYS . 7.5 p -93.41 130.51 39.19 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.443 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.6 t -113.51 123.89 69.61 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.185 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.56 36.68 10.31 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 108.986 -1.646 . . . . 0.0 108.986 -176.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.4 t -79.56 110.07 14.53 Favored 'General case' 0 N--CA 1.401 -2.924 0 CA-C-N 114.557 -0.822 . . . . 0.0 110.494 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 74.7 mmtt -114.75 93.06 4.16 Favored 'General case' 0 N--CA 1.409 -2.497 0 N-CA-C 104.143 -2.54 . . . . 0.0 104.143 168.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -111.21 114.73 53.22 Favored Pre-proline 0 C--N 1.291 -1.945 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -59.01 -5.08 2.45 Favored 'Trans proline' 0 CA--C 1.547 1.14 0 C-N-CA 124.278 3.319 . . . . 0.0 114.701 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 . . . . . 0 CA--C 1.486 -1.488 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 173.738 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo . . . . . 0 N--CA 1.439 -1.723 0 N-CA-C 109.031 -1.18 . . . . 0.0 109.031 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -108.12 112.07 24.42 Favored 'General case' 0 C--N 1.274 -2.696 0 CA-C-O 121.63 0.729 . . . . 0.0 109.733 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 p -81.09 145.08 31.27 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.777 -174.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -108.91 34.75 3.53 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.78 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.564 ' HB3' HG22 ' A' ' 27' ' ' THR . 99.6 m -54.13 144.4 19.83 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 114.259 -1.337 . . . . 0.0 110.838 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.638 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -178.759 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 CA--C 1.553 1.092 0 CA-C-O 121.212 0.529 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.564 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.9 OUTLIER -53.81 -58.3 7.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.996 0.919 . . . . 0.0 111.219 -177.046 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 84.4 m -87.91 -3.92 58.88 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 115.357 -0.838 . . . . 0.0 113.171 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 69.3 ttt180 -102.16 9.93 39.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.493 0.663 . . . . 0.0 110.893 -175.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -114.15 165.73 12.35 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.839 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.1 m -59.21 -19.67 47.39 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 124.541 1.137 . . . . 0.0 113.776 -174.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -84.55 1.26 46.64 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.4 t -98.33 123.88 48.92 Favored Pre-proline 0 C--N 1.313 -1.021 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.21 -15.58 50.85 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.887 2.391 . . . . 0.0 112.666 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.534 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 93.6 m -80.42 -59.41 2.71 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.495 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.545 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 78.5 t80 -51.98 -55.45 20.32 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 123.851 0.86 . . . . 0.0 112.095 -179.018 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -71.19 -30.44 66.41 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.289 -172.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.5 m -103.88 14.68 30.31 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 64.75 33.25 10.49 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.534 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 47.9 m-80 -100.54 161.67 13.45 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 p -98.35 149.25 22.83 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.327 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.8 m -91.37 69.62 5.97 Favored 'General case' 0 CA--C 1.491 -1.325 0 CA-C-O 122.139 0.971 . . . . 0.0 110.47 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.54 108.68 10.42 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.53 8.02 44.22 Favored Glycine 0 C--N 1.3 -1.465 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -175.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 78.3 m -95.21 156.78 16.18 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -108.25 27.59 9.16 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.744 0.783 . . . . 0.0 109.757 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 7.6 p -72.1 131.55 42.98 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.939 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.4 t -104.58 126.52 59.37 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-N 114.256 -1.338 . . . . 0.0 107.775 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.01 51.44 7.65 Favored Glycine 0 N--CA 1.44 -1.048 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.43 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 7.2 t -92.27 123.83 35.89 Favored 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 115.254 -0.473 . . . . 0.0 111.21 -176.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 75.6 mmtt -122.51 93.77 4.08 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 167.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -111.55 118.53 46.93 Favored Pre-proline 0 C--N 1.287 -2.134 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -71.28 -13.14 30.67 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 122.068 1.845 . . . . 0.0 111.109 175.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 . . . . . 0 N--CA 1.437 -1.089 0 CA-C-O 121.724 0.773 . . . . 0.0 109.655 179.657 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 C--O 1.237 0.44 0 CA-C-O 120.802 0.251 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 9.9 mptt -112.62 114.21 26.72 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.0 p -93.21 153.37 18.65 Favored 'General case' 0 C--N 1.281 -2.385 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.687 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 15' ' ' ARG . 3.7 mpt_? -110.61 32.54 5.13 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.502 ' HB3' HG22 ' A' ' 27' ' ' THR . 95.9 m -55.21 136.67 48.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.259 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.545 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . . . . . . 0 C--N 1.294 -1.78 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.502 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -47.2 -64.34 0.81 Allowed 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 126.123 1.769 . . . . 0.0 112.8 -174.03 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 100.0 m -88.27 -4.75 58.65 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.555 178.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 71.1 ttt180 -102.13 22.11 13.74 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.648 0.737 . . . . 0.0 111.171 -171.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -129.14 164.95 22.25 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.583 -0.698 . . . . 0.0 109.584 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 p -68.7 -1.35 6.77 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -173.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -95.24 -8.77 35.12 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.802 -0.561 . . . . 0.0 110.134 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.5 t -84.19 120.64 74.88 Favored Pre-proline 0 C--O 1.246 0.91 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.03 -23.68 73.98 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.198 2.599 . . . . 0.0 113.114 -175.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.3 m -76.55 -61.97 1.78 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.678 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 74.8 t80 -46.0 -55.44 6.85 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.63 1.572 . . . . 0.0 112.0 -178.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.586 ' HE3' ' O ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -63.79 -38.31 90.64 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.579 -175.568 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.1 m -90.8 15.59 10.92 Favored 'General case' 0 C--N 1.31 -1.145 0 O-C-N 122.094 -0.379 . . . . 0.0 112.008 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 65.45 21.23 11.83 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.257 1.023 . . . . 0.0 111.722 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -100.16 156.23 17.31 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.838 0.828 . . . . 0.0 111.314 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 p -93.69 172.06 8.49 Favored 'General case' 0 C--N 1.277 -2.567 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.607 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 69.8 m -111.43 14.71 21.48 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.24 111.94 5.5 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 174.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.07 -15.59 33.35 Favored Glycine 0 N--CA 1.434 -1.469 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.539 -174.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 73.2 m -76.95 152.42 35.29 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 175.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -94.67 19.28 10.15 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.111 0.481 . . . . 0.0 110.364 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 7.7 p -67.95 130.79 44.05 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.824 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.545 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 31.6 t -109.24 119.49 58.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -177.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.25 43.03 5.71 Favored Glycine 0 C--N 1.299 -1.507 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 -174.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.484 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 5.4 t -90.08 119.78 30.71 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 114.689 -0.756 . . . . 0.0 111.183 -177.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 31.7 mmmt -117.93 93.87 4.3 Favored 'General case' 0 C--N 1.288 -2.106 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 171.013 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -111.63 116.11 50.68 Favored Pre-proline 0 C--N 1.296 -1.732 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.82 -2.3 12.44 Favored 'Trans proline' 0 CA--C 1.55 1.31 0 C-N-CA 122.569 2.179 . . . . 0.0 112.472 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 . . . . . 0 C--N 1.318 -0.786 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 176.165 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo . . . . . 0 N--CA 1.472 0.263 0 CA-C-O 121.826 0.678 . . . . 0.0 113.636 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HB2' ' HA ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -118.81 153.08 35.07 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.446 -1.252 . . . . 0.0 113.137 -172.432 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.2 p -129.46 163.64 25.44 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.509 -174.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -115.21 32.36 6.1 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.037 0.935 . . . . 0.0 109.984 177.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.0 m -60.01 144.67 48.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.063 0.459 . . . . 0.0 111.306 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.335 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -178.632 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.446 -0.668 0 N-CA-C 111.353 0.131 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.437 ' OG1' ' HA ' ' A' ' 50' ' ' CYS . 0.3 OUTLIER -50.51 -65.99 0.46 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.847 0.859 . . . . 0.0 112.768 -175.804 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.11 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 93.3 m -89.45 -5.99 56.89 Favored 'General case' 0 N--CA 1.416 -2.156 0 CA-C-N 114.825 -1.08 . . . . 0.0 113.773 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -99.71 29.67 4.01 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.819 -171.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -133.29 174.2 10.64 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 121.735 -0.603 . . . . 0.0 109.668 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -70.66 -2.82 15.64 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -173.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -90.85 -10.14 43.78 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.376 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 50.8 t -94.04 117.37 67.16 Favored Pre-proline 0 N--CA 1.429 -1.48 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.096 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.76 -4.23 10.79 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 123.733 2.955 . . . . 0.0 112.847 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.579 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 71.7 m -89.24 -68.14 0.79 Allowed 'General case' 0 N--CA 1.42 -1.931 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.466 178.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -55.21 -51.65 65.89 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -174.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -70.13 -22.14 63.02 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.251 0.548 . . . . 0.0 111.057 -173.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.6 m -100.84 7.01 43.93 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.013 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 63.46 34.26 12.94 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.579 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 20.5 m120 -103.46 168.4 9.18 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.223 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.1 p -108.46 169.08 8.87 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 122.798 0.439 . . . . 0.0 109.958 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.497 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 89.4 m -93.67 72.23 4.26 Favored 'General case' 0 N--CA 1.434 -1.253 0 CA-C-O 121.789 0.804 . . . . 0.0 110.69 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.76 104.27 13.21 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.22 177.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.67 14.31 47.4 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 119.976 -1.107 . . . . 0.0 111.324 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.502 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 78.0 m -81.95 168.13 18.2 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.263 0.554 . . . . 0.0 111.99 -178.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -119.86 29.05 7.75 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.2 p -92.54 150.97 20.42 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.696 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -121.57 123.19 68.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.386 -177.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.76 42.01 87.75 Favored Glycine 0 C--O 1.249 1.083 0 O-C-N 123.39 0.431 . . . . 0.0 112.208 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 1.11 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 8.1 p -85.04 138.59 32.34 Favored 'General case' 0 N--CA 1.426 -1.644 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.019 -174.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -106.67 94.24 5.02 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 171.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -111.01 120.42 43.41 Favored Pre-proline 0 N--CA 1.428 -1.557 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -60.15 -22.75 71.26 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.483 2.122 . . . . 0.0 111.925 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 CA--C 1.499 -1.007 0 CA-C-O 120.998 0.428 . . . . 0.0 111.562 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo . . . . . 0 C--O 1.239 0.559 0 N-CA-C 114.929 1.088 . . . . 0.0 114.929 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -134.46 152.85 52.06 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 113.494 -1.684 . . . . 0.0 107.144 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.0 p -137.51 170.54 15.89 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 120.883 0.373 . . . . 0.0 111.561 -173.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -127.71 27.58 5.74 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.194 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.47 ' HB3' HG22 ' A' ' 27' ' ' THR . 64.1 m -56.97 106.92 0.35 Allowed 'General case' 0 C--O 1.211 -0.962 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.219 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.879 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -177.134 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.44 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 5.6 m . . . . . 0 CA--C 1.569 1.688 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.47 HG22 ' HB3' ' A' ' 16' ' ' CYS . 1.0 OUTLIER -52.24 -65.18 0.6 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.969 1.308 . . . . 0.0 112.367 -174.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 99.5 m -88.5 -4.4 58.62 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.148 177.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 62.4 ttt-85 -91.18 -1.14 57.78 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.577 -175.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -112.78 162.76 15.4 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.506 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m -67.59 -5.14 14.11 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -174.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -86.58 -3.58 59.05 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.422 0.63 . . . . 0.0 109.434 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.3 t -94.75 127.67 42.55 Favored Pre-proline 0 N--CA 1.439 -1.02 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.53 -35.13 83.5 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.517 2.145 . . . . 0.0 112.594 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.5 m -64.47 -57.67 8.57 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.581 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.427 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 86.9 t80 -52.16 -51.31 58.76 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 123.881 0.872 . . . . 0.0 111.803 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -64.13 -37.93 89.22 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 123.897 0.748 . . . . 0.0 110.366 -174.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.4 m -87.76 8.42 25.77 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 70.43 24.05 4.73 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.063 0.945 . . . . 0.0 112.948 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -103.92 161.37 14.03 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.241 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.0 p -100.76 168.87 9.39 Favored 'General case' 0 C--N 1.286 -2.161 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.495 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.5 m -95.27 73.27 3.33 Favored 'General case' 0 N--CA 1.418 -2.074 0 CA-C-O 122.33 1.062 . . . . 0.0 110.778 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.74 110.93 18.44 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 112.818 -1.992 . . . . 0.0 107.179 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.47 13.64 40.77 Favored Glycine 0 C--N 1.307 -1.057 0 C-N-CA 120.364 -0.922 . . . . 0.0 111.027 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.6 m -96.58 170.6 9.09 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 123.01 0.524 . . . . 0.0 109.713 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -120.07 44.34 2.45 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.969 0.89 . . . . 0.0 108.689 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.4 p -93.06 151.23 20.0 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.451 -1.249 . . . . 0.0 110.275 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.9 t -129.75 130.43 66.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.7 45.73 9.2 Favored Glycine 0 CA--C 1.5 -0.856 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.3 t -98.47 110.29 22.9 Favored 'General case' 0 N--CA 1.413 -2.299 0 CA-C-N 114.599 -0.8 . . . . 0.0 112.944 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 55.0 mtpt -113.54 95.3 5.28 Favored 'General case' 0 C--N 1.279 -2.492 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 167.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -106.13 115.08 61.74 Favored Pre-proline 0 C--N 1.298 -1.636 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.492 ' CG ' ' HG3' ' A' ' 29' ' ' ARG . 32.1 Cg_exo -62.11 -13.8 33.92 Favored 'Trans proline' 0 N--CA 1.478 0.566 0 C-N-CA 123.283 2.656 . . . . 0.0 113.208 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 . . . . . 0 N--CA 1.434 -1.273 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.925 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo . . . . . 0 N--CA 1.458 -0.565 0 N-CA-C 110.159 -0.747 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -125.31 150.0 47.54 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 15' ' ' ARG . 28.0 p -128.91 168.0 16.59 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.41 -175.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 14' ' ' CYS . 8.2 mpt_? -120.62 27.55 8.48 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.116 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.707 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 79.3 m -57.12 115.3 2.56 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.946 178.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . . . . . . 0 C--N 1.287 -2.185 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -178.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.43 -1.473 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.445 HG22 ' HB3' ' A' ' 16' ' ' CYS . 21.3 m -47.54 -64.77 0.7 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.707 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 34.6 m -87.69 -3.8 58.95 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HB2' ' HB2' ' A' ' 51' ' ' LYS . 63.8 ttt180 -98.46 17.39 19.06 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 -171.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -129.6 176.19 8.19 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.156 -0.617 . . . . 0.0 111.255 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 m -62.17 -13.71 30.11 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.381 1.472 . . . . 0.0 114.05 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.38 1.77 57.04 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 122.022 -0.423 . . . . 0.0 111.832 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.9 t -101.33 112.29 64.86 Favored Pre-proline 0 N--CA 1.432 -1.348 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.24 -29.11 86.69 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 123.164 2.576 . . . . 0.0 112.341 -175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.0 m -68.56 -61.83 1.65 Allowed 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.089 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -53.93 -52.17 61.45 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 124.36 1.037 . . . . 0.0 112.014 -176.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 10.3 tmtt? -63.56 -36.0 82.33 Favored 'General case' 0 N--CA 1.438 -1.05 0 O-C-N 124.059 0.85 . . . . 0.0 109.879 -174.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 m -91.62 16.84 9.71 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 120.971 0.415 . . . . 0.0 110.672 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 65.71 22.55 11.58 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.249 1.42 . . . . 0.0 114.688 173.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -95.75 170.0 9.62 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.648 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.471 ' HA ' ' OD1' ' A' ' 52' ' ' ASN . 32.5 p -96.46 168.87 10.29 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.144 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.614 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 59.8 m -109.52 12.13 24.58 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.191 0.519 . . . . 0.0 111.915 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.27 112.24 7.25 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 174.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.8 -3.65 34.09 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.943 -177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.536 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 72.9 m -82.49 -173.44 4.6 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.236 0.541 . . . . 0.0 109.56 176.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -120.2 26.58 9.14 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.614 ' SG ' ' HB3' ' A' ' 42' ' ' CYS . 7.7 p -77.37 143.79 38.45 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.604 -1.18 . . . . 0.0 112.384 -177.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.403 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 67.0 t -120.01 127.05 75.87 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 C-N-CA 124.546 1.139 . . . . 0.0 108.21 -176.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.52 50.93 18.43 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -175.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.2 t -95.25 118.01 31.26 Favored 'General case' 0 N--CA 1.421 -1.88 0 CA-C-N 114.896 -0.652 . . . . 0.0 112.401 -175.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 29' ' ' ARG . 46.5 mmtm -110.21 94.2 4.89 Favored 'General case' 0 N--CA 1.421 -1.918 0 N-CA-C 105.694 -1.965 . . . . 0.0 105.694 168.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.471 ' OD1' ' HA ' ' A' ' 41' ' ' SER . 25.4 t-20 -111.01 104.99 56.94 Favored Pre-proline 0 C--N 1.293 -1.859 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -61.58 -2.51 2.68 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.303 2.669 . . . . 0.0 114.884 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.416 ' HB2' ' OD1' ' A' ' 52' ' ' ASN . 91.7 m-70 . . . . . 0 C--N 1.317 -0.822 0 CA-C-O 121.215 0.531 . . . . 0.0 109.725 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 N--CA 1.449 -1.147 0 CA-C-O 121.38 0.492 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -106.5 109.58 21.54 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.944 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.7 p -93.12 155.63 17.36 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.839 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -115.9 31.71 6.54 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.817 0.818 . . . . 0.0 110.191 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.1 m -59.62 111.98 1.63 Allowed 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.785 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.773 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 -177.712 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.462 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 6.1 p . . . . . 0 N--CA 1.444 -0.767 0 CA-C-O 120.452 0.168 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -65.55 0.54 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.543 1.137 . . . . 0.0 111.754 -176.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 95.6 m -89.2 -4.47 58.21 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.334 177.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 76.2 ttt180 -94.61 5.75 50.91 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.639 -173.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -118.59 167.1 11.94 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.419 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 m -67.39 -9.45 41.64 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -87.28 -4.12 59.06 Favored 'General case' 0 C--O 1.244 0.798 0 O-C-N 121.903 -0.498 . . . . 0.0 110.823 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 45.1 t -89.43 120.52 69.67 Favored Pre-proline 0 N--CA 1.424 -1.731 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.67 -15.62 49.83 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 123.055 2.503 . . . . 0.0 112.7 -176.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 77.6 m -82.7 -58.28 2.96 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.275 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 75.1 t80 -48.53 -59.91 3.12 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.782 1.233 . . . . 0.0 112.609 -178.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -71.09 -18.04 62.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.911 -173.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 m -104.14 11.85 34.61 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 120.999 0.428 . . . . 0.0 110.61 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 63.65 28.49 15.04 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.069 0.948 . . . . 0.0 112.709 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -100.09 165.84 11.31 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-O 121.534 0.683 . . . . 0.0 110.992 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -101.47 150.92 22.55 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.439 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.448 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 89.2 m -87.21 71.21 10.1 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 121.789 0.804 . . . . 0.0 110.545 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.76 108.49 16.4 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 113.82 -1.536 . . . . 0.0 108.348 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.94 3.2 45.72 Favored Glycine 0 C--N 1.308 -1.015 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 73.8 m -86.49 163.51 17.48 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.39 -0.405 . . . . 0.0 110.343 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -112.02 29.28 8.02 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 8.0 p -79.23 131.55 36.21 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.946 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.6 t -118.09 115.88 49.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.4 41.57 5.74 Favored Glycine 0 C--N 1.3 -1.461 0 N-CA-C 108.058 -2.017 . . . . 0.0 108.058 -173.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 6.7 t -81.05 109.41 15.6 Favored 'General case' 0 N--CA 1.42 -1.949 0 CA-C-N 114.338 -0.931 . . . . 0.0 111.171 -176.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -111.4 93.26 4.38 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 170.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -111.78 116.52 49.87 Favored Pre-proline 0 C--N 1.293 -1.851 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -75.47 1.04 8.4 Favored 'Trans proline' 0 C--N 1.326 -0.623 0 C-N-CA 122.318 2.012 . . . . 0.0 112.978 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 . . . . . 0 C--N 1.316 -0.854 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.099 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo . . . . . 0 C--O 1.239 0.563 0 CA-C-O 121.575 0.573 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -133.53 152.4 51.9 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.067 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 p -122.4 163.28 20.08 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.674 -176.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -127.44 37.31 4.25 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.031 0.932 . . . . 0.0 109.857 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 35.2 m -64.5 149.02 49.44 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.806 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.771 0 C-N-CA 119.544 -1.312 . . . . 0.0 112.895 174.061 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -41.12 -65.3 0.44 Allowed 'General case' 0 C--O 1.214 -0.786 0 C-N-CA 125.201 1.4 . . . . 0.0 113.634 -176.17 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.11 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 71.0 m -88.99 -5.02 58.24 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -95.21 -15.13 23.48 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 120.892 0.377 . . . . 0.0 111.634 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -92.87 162.06 14.24 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.502 -177.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 m -66.66 -15.78 63.73 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -173.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -78.38 -11.1 59.92 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.679 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' A' ' 28' ' ' CYS . 53.6 t -88.57 123.31 68.32 Favored Pre-proline 0 N--CA 1.415 -2.183 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 173.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.65 -32.92 96.64 Favored 'Trans proline' 0 CA--C 1.517 -0.371 0 C-N-CA 122.771 2.314 . . . . 0.0 111.586 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.542 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 65.5 m -60.62 -51.34 69.82 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -176.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.505 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 67.1 t80 -61.07 -46.67 89.71 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.081 0.467 . . . . 0.0 111.136 -177.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -75.4 -26.66 58.59 Favored 'General case' 0 N--CA 1.419 -2.007 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -102.85 3.08 36.23 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.691 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 63.9 39.85 7.85 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.656 1.182 . . . . 0.0 110.587 177.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.542 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 11.9 m120 -95.07 151.78 18.9 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.764 -178.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -99.17 148.93 23.58 Favored 'General case' 0 N--CA 1.408 -2.526 0 CA-C-N 115.37 -0.832 . . . . 0.0 108.807 177.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.689 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 67.4 m -87.54 24.72 1.61 Allowed 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -175.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.29 105.66 12.66 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.56 -4.92 34.93 Favored Glycine 0 N--CA 1.43 -1.707 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -176.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.689 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 97.0 m -79.09 156.92 28.11 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -105.49 19.22 20.93 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.594 0.711 . . . . 0.0 111.179 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 6.0 p -72.05 132.58 44.43 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.92 176.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.0 118.15 49.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.895 -177.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.42 52.42 35.54 Favored Glycine 0 N--CA 1.435 -1.403 0 O-C-N 123.961 0.788 . . . . 0.0 111.14 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 1.11 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 9.4 p -85.77 134.87 33.92 Favored 'General case' 0 N--CA 1.425 -1.68 0 C-N-CA 120.028 -0.669 . . . . 0.0 109.782 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -101.08 93.25 5.39 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 172.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -112.18 118.24 46.29 Favored Pre-proline 0 C--N 1.301 -1.503 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -60.0 -26.89 83.66 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 122.612 2.208 . . . . 0.0 111.884 174.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 . . . . . 0 C--N 1.32 -0.706 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -179.912 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HD2' ' OD1' ' A' ' 40' ' ' ASN . 31.6 Cg_exo . . . . . 0 C--O 1.243 0.764 0 CA-C-O 121.193 0.414 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -135.98 152.32 50.83 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.9 p -137.6 157.02 47.4 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.289 0.566 . . . . 0.0 111.807 -174.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -119.77 38.23 3.97 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.03 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 59.4 m -67.13 161.11 25.33 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.861 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.256 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.963 174.046 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.434 -1.231 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.8 m -51.37 -66.72 0.34 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.999 1.32 . . . . 0.0 113.375 -173.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 65.2 m -90.58 -5.18 56.23 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 71.0 ttt180 -96.81 23.35 7.17 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.746 -171.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -128.78 164.23 23.47 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.3 m -69.35 -8.97 51.17 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -173.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.498 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.1 mmp_? -86.32 -1.18 57.29 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.688 -0.632 . . . . 0.0 110.995 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.2 t -94.46 118.11 66.98 Favored Pre-proline 0 N--CA 1.43 -1.428 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.66 -34.19 97.77 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.639 2.226 . . . . 0.0 112.532 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.5 m -63.36 -51.2 66.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.743 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -60.02 -44.98 94.25 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.318 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -78.01 -34.01 50.89 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -177.192 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.1 m -90.95 12.78 18.51 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 120.796 0.331 . . . . 0.0 111.44 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 59.49 54.57 4.54 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 176.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.558 ' OD1' ' HD2' ' A' ' 12' ' ' PRO . 1.3 m-80 -128.92 156.94 42.92 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 121.321 0.581 . . . . 0.0 111.703 176.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.14 160.07 14.86 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.876 175.534 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.4 m -90.28 73.26 7.1 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-O 122.037 0.922 . . . . 0.0 113.028 -173.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.39 123.89 51.28 Favored 'General case' 0 C--N 1.286 -2.196 0 CA-C-N 113.676 -1.602 . . . . 0.0 107.321 172.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.29 14.12 59.22 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.428 -0.891 . . . . 0.0 111.271 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 77.9 m -97.0 170.19 9.32 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.197 0.522 . . . . 0.0 110.805 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -114.88 19.06 16.13 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 16.5 p -70.78 125.18 26.11 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -176.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.8 t -99.29 128.25 51.18 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 113.657 -1.61 . . . . 0.0 108.267 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.89 41.39 72.82 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.453 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 8.7 t -75.09 109.64 8.73 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -176.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 12.3 mptt -107.18 92.14 3.95 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 166.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.434 ' ND2' ' HB2' ' A' ' 54' ' ' HIS . 51.6 t30 -112.85 115.96 48.03 Favored Pre-proline 0 C--N 1.281 -2.394 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 176.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.81 -9.3 25.75 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 121.89 1.727 . . . . 0.0 110.884 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.434 ' HB2' ' ND2' ' A' ' 52' ' ' ASN . 15.6 m80 . . . . . 0 N--CA 1.422 -1.861 0 CA-C-O 122.166 0.984 . . . . 0.0 113.071 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo . . . . . 0 N--CA 1.448 -1.156 0 CA-C-O 121.191 0.413 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 60.2 mttp -128.07 153.02 47.27 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.182 -176.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 p -129.53 170.91 13.14 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 121.171 0.51 . . . . 0.0 111.533 -175.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -129.3 25.17 5.49 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.867 -1.06 . . . . 0.0 108.813 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.435 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 82.1 m -52.19 117.85 3.1 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.266 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.583 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -177.024 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.553 1.09 0 CA-C-O 120.95 0.405 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 m -64.23 -65.38 0.69 Allowed 'General case' 0 C--O 1.213 -0.827 0 CA-C-O 120.95 0.405 . . . . 0.0 110.844 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 57.1 m -89.6 -5.26 57.33 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 173.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -94.57 3.89 54.54 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 121.234 0.54 . . . . 0.0 111.531 -174.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -97.1 165.91 11.84 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.905 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.556 ' O ' ' HD2' ' A' ' 37' ' ' LYS . 4.4 p -65.66 -15.24 62.59 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -174.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtp-105 -85.46 0.59 51.85 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.953 -0.467 . . . . 0.0 110.921 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.2 t -89.47 110.89 42.24 Favored Pre-proline 0 N--CA 1.432 -1.356 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 174.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.74 -29.03 88.49 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.197 2.598 . . . . 0.0 112.581 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.0 m -67.76 -60.09 2.8 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -52.83 -50.17 64.26 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 124.761 1.225 . . . . 0.0 111.458 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.556 ' HD2' ' O ' ' A' ' 31' ' ' SER . 77.7 tttt -68.52 -25.12 64.78 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.678 -175.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.6 m -100.13 8.91 43.55 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 66.75 29.38 8.6 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.024 0.93 . . . . 0.0 112.93 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -109.28 159.83 16.63 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 120.913 0.387 . . . . 0.0 110.532 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.2 p -87.33 164.86 16.02 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.934 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 69.0 m -92.89 77.86 4.74 Favored 'General case' 0 N--CA 1.417 -2.077 0 CA-C-O 122.01 0.91 . . . . 0.0 109.471 177.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.94 105.86 13.75 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 113.871 -1.513 . . . . 0.0 109.297 174.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.414 ' O ' ' HD3' ' A' ' 13' ' ' LYS . . . 99.75 13.85 36.29 Favored Glycine 0 CA--C 1.499 -0.917 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.128 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.2 m -85.51 177.59 7.7 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.297 0.57 . . . . 0.0 110.204 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -119.66 24.4 10.63 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.488 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 13.7 p -71.46 141.53 50.22 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 114.269 -1.332 . . . . 0.0 110.569 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.9 t -119.08 113.91 42.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -176.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.68 52.33 4.46 Favored Glycine 0 N--CA 1.429 -1.811 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 -177.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.488 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 10.1 t -81.16 117.64 21.87 Favored 'General case' 0 N--CA 1.418 -2.074 0 C-N-CA 123.72 0.808 . . . . 0.0 112.092 -175.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 9.1 mptt -115.01 93.39 4.29 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 105.512 -2.032 . . . . 0.0 105.512 168.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -111.15 121.04 41.65 Favored Pre-proline 0 C--N 1.292 -1.908 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -66.68 -16.36 50.23 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 174.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 74.7 m80 . . . . . 0 CA--C 1.491 -1.305 0 CA-C-O 122.104 0.954 . . . . 0.0 110.688 -179.077 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo . . . . . 0 C--O 1.247 0.956 0 CA-C-O 121.202 0.418 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.432 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 20.1 pttp -130.64 116.59 18.3 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 121.92 0.867 . . . . 0.0 110.351 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.3 p -110.01 158.28 18.42 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.186 -174.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 15' ' ' ARG . 6.4 mpt_? -111.55 30.35 7.04 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.495 ' HB3' HG22 ' A' ' 27' ' ' THR . 69.4 m -56.73 132.51 52.29 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.687 179.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.285 -2.254 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -175.69 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 N--CA 1.432 -1.336 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 16' ' ' CYS . 3.7 m -49.39 -66.04 0.46 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.349 1.06 . . . . 0.0 112.111 -174.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 56.5 m -90.29 -4.99 56.8 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 174.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -93.98 -4.05 50.38 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -171.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -89.98 162.89 15.17 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.427 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.6 m -70.64 -0.56 8.95 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -174.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.536 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 3.2 mmp_? -103.7 4.06 34.95 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.415 -0.803 . . . . 0.0 111.072 177.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.1 t -88.88 120.02 69.97 Favored Pre-proline 0 C--O 1.244 0.808 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 174.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.93 -36.7 97.98 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 123.475 2.783 . . . . 0.0 112.976 -175.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 68.1 m -68.12 -57.31 6.28 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.134 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -52.41 -51.94 56.4 Favored 'General case' 0 C--N 1.312 -1.049 0 O-C-N 124.588 1.18 . . . . 0.0 112.155 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -66.83 -31.61 72.33 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 123.592 0.558 . . . . 0.0 109.876 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 t -89.56 6.39 41.32 Favored 'General case' 0 CA--C 1.554 1.1 0 O-C-N 122.176 -0.328 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 69.23 23.43 6.32 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.716 0.807 . . . . 0.0 113.014 176.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -103.5 152.99 21.03 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.771 0.32 . . . . 0.0 111.703 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 p -84.52 154.01 22.94 Favored 'General case' 0 C--O 1.253 1.241 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.706 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 49.3 m -92.99 14.17 18.49 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.25 111.1 4.95 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 173.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.96 10.67 25.92 Favored Glycine 0 C--N 1.309 -0.952 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.159 -176.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.432 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 77.7 m -98.7 177.29 5.35 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 175.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -107.85 23.27 14.73 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 18.6 p -78.64 140.25 38.43 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.528 -179.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.6 t -117.67 121.07 66.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.408 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.86 37.76 43.56 Favored Glycine 0 CA--C 1.498 -0.982 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.567 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 2.7 t -68.64 109.91 4.01 Favored 'General case' 0 N--CA 1.426 -1.666 0 CA-C-N 114.177 -1.012 . . . . 0.0 111.815 -178.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -101.05 93.49 5.52 Favored 'General case' 0 N--CA 1.422 -1.845 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 170.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -111.77 116.21 50.25 Favored Pre-proline 0 C--N 1.298 -1.649 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -66.68 -12.83 37.49 Favored 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 122.482 2.121 . . . . 0.0 112.545 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 . . . . . 0 CA--C 1.485 -1.524 0 CA-C-O 121.849 0.833 . . . . 0.0 112.833 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 CA--C 1.502 -1.091 0 CA-C-O 121.77 0.654 . . . . 0.0 113.652 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -132.77 152.63 51.73 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.331 -176.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.6 p -133.88 175.31 9.57 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.103 0.478 . . . . 0.0 110.893 -174.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -137.12 37.4 2.55 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.112 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 61.8 m -61.0 146.89 45.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.139 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.233 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.507 178.1 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.444 -0.74 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 p -52.15 -65.99 0.46 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.32 -1.309 . . . . 0.0 113.395 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.454 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 71.9 m -89.33 -4.7 58.0 Favored 'General case' 0 C--N 1.281 -2.383 0 CA-C-N 114.244 -1.344 . . . . 0.0 113.817 -176.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -96.72 -5.37 38.85 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.078 0.466 . . . . 0.0 111.646 -175.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -102.21 159.29 15.53 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.203 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.3 m -67.67 -6.96 23.09 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -173.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -89.04 -6.08 57.43 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 121.434 -0.791 . . . . 0.0 110.873 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' SG ' ' HA ' ' A' ' 28' ' ' CYS . 53.7 t -83.46 124.96 75.11 Favored Pre-proline 0 N--CA 1.441 -0.921 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 175.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -57.84 -34.69 98.62 Favored 'Trans proline' 0 C--O 1.208 -1.015 0 C-N-CA 123.057 2.505 . . . . 0.0 112.307 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 79.6 m -64.8 -55.18 21.23 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 65.7 t80 -57.67 -49.2 77.29 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.136 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -70.83 -28.62 64.74 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.396 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -102.31 21.95 14.17 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.82 -0.55 . . . . 0.0 112.253 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 62.07 31.66 17.8 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 169.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -119.29 152.89 35.94 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -80.4 176.24 9.95 Favored 'General case' 0 N--CA 1.409 -2.488 0 CA-C-N 114.75 -1.113 . . . . 0.0 109.834 175.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.409 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 67.4 m -107.47 19.57 20.07 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -176.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.63 107.82 1.86 Allowed 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 172.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.59 14.0 22.77 Favored Glycine 0 N--CA 1.433 -1.514 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.562 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 75.2 m -99.8 172.71 7.08 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 117.231 0.516 . . . . 0.0 111.472 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -106.26 13.95 28.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.486 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 17.9 p -77.59 135.91 38.21 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.387 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.0 t -120.48 130.65 74.22 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.42 28.48 32.94 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 -176.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.445 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 2.9 t -75.87 113.73 13.69 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.858 1.263 . . . . 0.0 113.105 -175.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -106.46 94.18 5.0 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 104.624 -2.361 . . . . 0.0 104.624 168.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -110.78 111.81 56.48 Favored Pre-proline 0 C--N 1.287 -2.123 0 C-N-CA 119.126 -1.03 . . . . 0.0 108.849 175.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -65.41 -10.27 25.46 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.756 2.304 . . . . 0.0 112.279 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 . . . . . 0 N--CA 1.44 -0.957 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 176.113 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.565 ' HB2' ' HB2' ' A' ' 34' ' ' PRO . 4.0 Cg_exo . . . . . 0 N--CA 1.43 -2.262 0 N-CA-C 110.249 -0.712 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -111.62 116.4 30.74 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.296 -174.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 25.5 p -79.21 157.01 27.91 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.383 -1.281 . . . . 0.0 112.49 -172.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -125.97 27.9 6.24 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.669 -1.15 . . . . 0.0 108.445 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 38.8 m -55.56 126.69 26.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.117 -1.402 . . . . 0.0 111.418 -177.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.646 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.438 -1.041 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.7 -64.08 0.86 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.782 0.833 . . . . 0.0 113.154 -178.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.03 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 93.8 m -89.71 -4.79 57.55 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 176.209 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -98.91 29.94 3.59 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.64 0.733 . . . . 0.0 111.082 -171.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -132.29 161.96 32.19 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.2 m -69.01 -5.07 19.48 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -174.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -96.52 0.69 50.55 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.352 0.596 . . . . 0.0 110.013 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.1 t -92.32 122.59 64.38 Favored Pre-proline 0 N--CA 1.43 -1.453 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.649 ' O ' ' HB2' ' A' ' 38' ' ' SER . 16.2 Cg_endo -62.92 -9.78 17.91 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.383 2.722 . . . . 0.0 113.048 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 87.8 m -88.85 -50.35 6.27 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.024 175.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 59.9 t80 -63.16 -57.34 10.86 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.359 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 8.8 tmtm? -80.9 -37.92 28.88 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.92 -171.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.649 ' HB2' ' O ' ' A' ' 34' ' ' PRO . 19.2 m -87.07 1.31 53.35 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.159 0.504 . . . . 0.0 111.297 -177.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 62.27 63.89 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.356 1.062 . . . . 0.0 113.075 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.415 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 58.0 m-80 -128.77 160.19 33.34 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.583 174.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 p -101.87 156.02 17.78 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 177.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.497 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 80.2 m -83.2 68.11 9.47 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.737 0.78 . . . . 0.0 111.589 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.5 96.28 7.03 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.165 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.21 10.83 59.2 Favored Glycine 0 C--N 1.31 -0.902 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.822 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 79.3 m -76.82 152.17 35.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -105.29 27.14 8.57 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 121.547 0.689 . . . . 0.0 111.317 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 p -76.04 146.32 39.53 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.222 174.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.6 t -104.82 116.74 49.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.498 -174.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.82 37.76 94.18 Favored Glycine 0 C--O 1.243 0.699 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.951 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 1.03 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 16.4 p -64.97 139.63 58.78 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.317 0.58 . . . . 0.0 111.598 -173.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -106.84 94.99 5.41 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 172.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -110.0 117.49 51.81 Favored Pre-proline 0 C--N 1.296 -1.726 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 177.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.28 -36.52 78.47 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.931 2.421 . . . . 0.0 112.828 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.9 p80 . . . . . 0 N--CA 1.42 -1.934 0 CA-C-O 122.143 0.973 . . . . 0.0 112.571 -177.733 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo . . . . . 0 N--CA 1.442 -1.504 0 N-CA-C 109.54 -0.985 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -102.24 110.34 22.27 Favored 'General case' 0 C--N 1.278 -2.539 0 CA-C-O 122.143 0.973 . . . . 0.0 110.894 -173.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.69 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 11.5 p -85.19 139.92 31.3 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-N 114.356 -1.293 . . . . 0.0 111.482 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -113.7 38.4 2.96 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -175.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.69 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 50.2 m -63.11 153.37 34.4 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 113.157 -1.838 . . . . 0.0 110.988 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . . . . . . 0 CA--C 1.496 -1.156 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.614 176.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.2 OUTLIER -46.36 -64.15 0.83 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.055 1.742 . . . . 0.0 112.257 -176.899 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 60.0 m -86.67 -3.6 59.06 Favored 'General case' 0 C--O 1.205 -1.273 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 178.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 77.6 ttt180 -102.6 16.58 26.0 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 121.676 0.751 . . . . 0.0 111.182 -176.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -128.82 165.27 21.32 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.683 -1.26 . . . . 0.0 110.929 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 m -64.28 -11.37 31.08 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -173.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.2 mtt85 -80.3 -12.13 59.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 50.3 t -90.04 116.47 66.44 Favored Pre-proline 0 N--CA 1.436 -1.146 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.74 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.17 -12.23 31.73 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.116 2.544 . . . . 0.0 112.325 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.439 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 11.1 t -85.55 -46.48 10.79 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.506 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 78.9 t80 -66.79 -47.3 72.54 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.916 -178.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -73.58 -11.62 60.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.28 0.562 . . . . 0.0 110.551 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -99.32 4.72 46.54 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 61.65 27.22 16.7 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 125.498 1.519 . . . . 0.0 111.31 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -96.44 155.74 16.64 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.23 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 p -89.87 152.79 21.08 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.062 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.523 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 80.5 m -85.1 73.76 10.6 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 122.163 0.983 . . . . 0.0 110.901 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.47 107.78 18.97 Favored 'General case' 0 C--N 1.275 -2.636 0 CA-C-N 113.75 -1.568 . . . . 0.0 108.543 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.02 2.75 68.61 Favored Glycine 0 C--N 1.31 -0.889 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.819 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 65.7 m -78.58 150.38 32.78 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -103.0 27.86 6.75 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.747 0.784 . . . . 0.0 110.204 -178.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 14.3 p -76.14 139.32 41.24 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.818 -1.083 . . . . 0.0 112.67 -177.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.479 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 43.2 t -115.0 141.15 32.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 178.135 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.7 48.21 63.31 Favored Glycine 0 C--O 1.238 0.4 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.4 t -100.21 125.03 46.32 Favored 'General case' 0 N--CA 1.411 -2.389 0 CA-C-N 114.902 -0.649 . . . . 0.0 111.442 -174.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 95.3 mttt -124.39 94.9 4.34 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 169.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -109.18 112.08 59.81 Favored Pre-proline 0 C--N 1.299 -1.599 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.53 -25.99 54.84 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.417 2.078 . . . . 0.0 111.472 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 . . . . . 0 CA--C 1.495 -1.138 0 CA-C-O 121.182 0.515 . . . . 0.0 110.173 -176.645 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo . . . . . 0 N--CA 1.456 -0.706 0 CA-C-O 121.408 0.503 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -135.92 152.95 51.52 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.001 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.0 p -141.31 160.99 38.97 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-O 121.063 0.459 . . . . 0.0 111.0 -172.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -123.28 34.82 5.01 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.8 m -54.49 142.94 25.64 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.547 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.551 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -177.702 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.442 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 9.4 p . . . . . 0 N--CA 1.439 -1.023 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.11 -66.49 0.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.428 1.491 . . . . 0.0 111.499 -175.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 94.6 m -90.53 -4.24 57.05 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.912 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 33.8 ttt180 -95.72 -2.45 47.86 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.951 -171.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -103.56 161.5 13.84 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.644 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -64.78 -8.67 15.91 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -174.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 35.3 mmt180 -93.89 3.95 54.63 Favored 'General case' 0 C--O 1.244 0.806 0 O-C-N 121.957 -0.464 . . . . 0.0 111.498 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.6 t -90.0 119.77 69.33 Favored Pre-proline 0 N--CA 1.427 -1.581 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 171.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.03 -23.97 78.56 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 C-N-CA 122.778 2.319 . . . . 0.0 112.754 -173.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 80.8 m -75.02 -58.39 3.31 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -49.24 -55.33 12.95 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 124.957 1.303 . . . . 0.0 112.912 -176.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -72.92 -16.38 61.55 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.442 -174.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.2 m -103.81 15.62 28.29 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 70.22 21.96 5.68 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.237 1.015 . . . . 0.0 113.229 175.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -111.41 152.53 27.25 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.579 ' HA ' ' OD1' ' A' ' 52' ' ' ASN . 0.9 OUTLIER -90.99 178.07 6.11 Favored 'General case' 0 N--CA 1.396 -3.169 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.834 178.268 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 96.4 m -111.42 19.11 18.54 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -173.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.22 116.26 12.44 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.39 -0.924 . . . . 0.0 108.71 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.03 -10.4 34.13 Favored Glycine 0 C--N 1.308 -0.989 0 C-N-CA 121.463 -0.399 . . . . 0.0 112.502 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.9 m -78.88 179.46 7.25 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -116.69 18.64 14.86 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-O 121.415 0.626 . . . . 0.0 109.996 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.4 p -67.78 140.66 56.67 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.885 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -116.1 130.47 70.78 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.203 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.54 42.91 31.69 Favored Glycine 0 CA--C 1.492 -1.368 0 N-CA-C 109.156 -1.578 . . . . 0.0 109.156 -175.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.3 t -82.69 109.31 16.75 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -174.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -105.79 93.92 4.9 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 166.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.579 ' OD1' ' HA ' ' A' ' 41' ' ' SER . 26.1 t-20 -111.05 115.38 52.92 Favored Pre-proline 0 C--N 1.29 -1.999 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 176.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 52' ' ' ASN . 35.8 Cg_exo -65.86 -6.81 15.02 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.149 2.566 . . . . 0.0 114.526 -178.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 . . . . . 0 C--N 1.305 -1.335 0 CA-C-O 121.43 0.633 . . . . 0.0 110.656 -179.419 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo . . . . . 0 N--CA 1.462 -0.364 0 CA-C-O 121.122 0.384 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 51.6 pttt -123.19 147.49 46.81 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.23 164.79 26.59 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.019 -172.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.72 26.11 9.93 Favored 'General case' 0 C--O 1.249 1.041 0 C-N-CA 124.126 0.97 . . . . 0.0 108.878 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' HB3' HG22 ' A' ' 27' ' ' THR . 70.8 m -55.14 134.71 49.6 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.03 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . . . . . . 0 C--N 1.299 -1.481 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.621 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 1.4 p . . . . . 0 N--CA 1.428 -1.544 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.486 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.2 OUTLIER -53.84 -65.16 0.62 Allowed 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 123.631 0.773 . . . . 0.0 111.689 -176.058 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 95.6 m -89.02 -3.9 58.56 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 177.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.621 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 62.4 ttt180 -99.54 8.81 44.17 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.386 -173.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -115.96 171.1 7.99 Favored 'General case' 0 C--N 1.31 -1.125 0 O-C-N 121.379 -0.826 . . . . 0.0 109.342 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -70.53 -7.03 40.64 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -172.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -87.29 -11.61 49.05 Favored 'General case' 0 CA--C 1.505 -0.777 0 O-C-N 121.909 -0.494 . . . . 0.0 110.375 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.4 t -86.88 114.92 60.55 Favored Pre-proline 0 N--CA 1.417 -2.098 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 176.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.08 -25.26 77.23 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.311 2.674 . . . . 0.0 111.992 -175.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.8 m -70.83 -58.89 3.16 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.408 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.515 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 83.5 t80 -56.28 -45.11 80.3 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.947 0.899 . . . . 0.0 111.797 -178.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -74.13 -10.2 59.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.705 0.764 . . . . 0.0 110.462 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 t -106.01 3.64 28.5 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 176.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 64.82 22.45 12.53 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.102 0.961 . . . . 0.0 111.889 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -103.28 160.8 14.36 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.403 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 p -86.0 176.05 8.25 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.628 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 95.6 m -103.76 70.44 1.01 Allowed 'General case' 0 N--CA 1.418 -2.026 0 CA-C-O 121.578 0.704 . . . . 0.0 110.959 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.64 105.28 15.07 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.628 175.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.44 13.83 23.46 Favored Glycine 0 N--CA 1.437 -1.252 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.119 -177.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 83.8 m -95.58 169.22 10.19 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-O 121.309 0.576 . . . . 0.0 109.96 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -117.56 25.51 10.36 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.4 p -75.3 145.26 41.96 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.451 -1.25 . . . . 0.0 112.256 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.471 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 87.4 t -119.28 135.22 60.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 C-N-CA 125.178 1.391 . . . . 0.0 107.622 -179.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.41 40.69 91.46 Favored Glycine 0 C--O 1.245 0.794 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -178.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.6 t -76.86 109.76 10.92 Favored 'General case' 0 N--CA 1.413 -2.307 0 CA-C-N 114.213 -0.993 . . . . 0.0 111.626 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 34.4 mmtp -108.36 93.24 4.42 Favored 'General case' 0 N--CA 1.413 -2.29 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 168.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -112.7 118.87 44.32 Favored Pre-proline 0 C--N 1.286 -2.191 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 175.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.18 -25.73 79.15 Favored 'Trans proline' 0 C--O 1.242 0.703 0 C-N-CA 122.366 2.044 . . . . 0.0 111.499 174.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 . . . . . 0 N--CA 1.435 -1.2 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.934 179.355 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 CA--C 1.529 0.267 0 CA-C-O 121.566 0.569 . . . . 0.0 113.384 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -132.58 150.86 52.09 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 115.203 -0.908 . . . . 0.0 108.694 179.666 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.2 p -144.62 167.44 22.53 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 -125.43 24.85 7.21 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -176.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m -57.22 107.75 0.45 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.55 -1.204 . . . . 0.0 110.277 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . . . . . . 0 C--N 1.297 -1.626 0 C-N-CA 119.76 -1.21 . . . . 0.0 112.557 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 CA--C 1.55 0.974 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -66.04 0.5 Allowed 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 124.742 1.217 . . . . 0.0 110.543 -178.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.6 m -90.4 -5.56 56.01 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.044 -0.98 . . . . 0.0 113.543 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -96.33 -1.68 47.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.25 0.547 . . . . 0.0 112.422 -174.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -87.34 160.21 18.47 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.009 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -71.82 -2.36 17.45 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -99.72 3.73 45.13 Favored 'General case' 0 N--CA 1.438 -1.026 0 O-C-N 121.981 -0.449 . . . . 0.0 110.545 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.2 t -85.92 118.34 70.33 Favored Pre-proline 0 N--CA 1.435 -1.192 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 173.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.82 -33.19 94.0 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.804 2.336 . . . . 0.0 112.659 -174.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.9 m -68.76 -54.09 18.05 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.602 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -53.52 -51.47 62.75 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 124.414 1.086 . . . . 0.0 111.765 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -26.59 63.37 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.854 0.359 . . . . 0.0 111.211 -177.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.8 t -84.99 -3.49 58.79 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 68.48 21.09 8.29 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.675 1.19 . . . . 0.0 111.265 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -97.6 166.26 11.59 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.127 -178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 p -90.51 165.46 13.78 Favored 'General case' 0 N--CA 1.418 -2.062 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.868 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 96.7 m -95.02 69.56 3.25 Favored 'General case' 0 N--CA 1.429 -1.52 0 CA-C-O 122.057 0.932 . . . . 0.0 110.764 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.61 113.35 25.91 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 113.888 -1.505 . . . . 0.0 108.01 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.02 14.17 40.41 Favored Glycine 0 N--CA 1.435 -1.416 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 71.6 m -95.42 168.63 10.59 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-O 121.119 0.485 . . . . 0.0 110.744 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.76 26.13 9.54 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.0 p -80.71 143.68 32.8 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.567 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.484 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 60.7 t -130.44 116.97 37.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -175.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.57 39.3 6.74 Favored Glycine 0 C--N 1.303 -1.285 0 N-CA-C 108.526 -1.83 . . . . 0.0 108.526 -173.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.6 t -81.59 109.85 16.42 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 114.222 -0.989 . . . . 0.0 112.765 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -109.24 92.61 4.12 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 168.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -113.04 112.71 49.84 Favored Pre-proline 0 C--N 1.306 -1.313 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.686 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.22 -13.58 33.68 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.245 1.963 . . . . 0.0 111.683 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 68.6 m80 . . . . . 0 CA--C 1.488 -1.413 0 CA-C-O 121.916 0.865 . . . . 0.0 110.908 178.358 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -73.05 168.34 24.99 Favored 'Trans proline' 0 C--O 1.25 1.08 0 C-N-CA 122.556 2.171 . . . . 0.0 111.344 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -63.71 126.7 18.0 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.862 1.708 . . . . 0.0 109.645 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -104.48 111.97 65.29 Favored Pre-proline 0 C--N 1.305 -1.33 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -74.41 150.51 41.37 Favored 'Trans proline' 0 N--CA 1.443 -1.448 0 C-N-CA 122.403 2.069 . . . . 0.0 109.786 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -124.54 144.41 50.14 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.9 p -135.54 166.44 23.19 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.972 -175.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -126.17 32.16 5.28 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.2 m -56.67 106.61 0.31 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.89 0.744 . . . . 0.0 110.844 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 128.48 -43.43 1.32 Allowed Glycine 0 C--N 1.297 -1.595 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 mm -79.16 -35.38 17.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 175.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.2 p -149.48 179.53 7.89 Favored 'General case' 0 C--O 1.257 1.482 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.315 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.37 -98.98 2.12 Favored Glycine 0 N--CA 1.43 -1.746 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -149.82 109.33 4.0 Favored 'General case' 0 N--CA 1.425 -1.689 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.3 m -84.8 129.29 34.84 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 176.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -140.5 -164.85 1.8 Allowed 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -175.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.6 m -101.32 -60.48 1.52 Allowed 'General case' 0 N--CA 1.438 -1.062 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 84.1 mt -108.07 -38.99 5.64 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.472 0.653 . . . . 0.0 110.215 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.456 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 22.6 p -80.37 13.05 2.59 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -172.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 m -57.87 -65.45 0.64 Allowed 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.888 0.375 . . . . 0.0 110.545 -177.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 59.2 m -89.5 -5.25 57.47 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.456 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 46.2 ttp180 -94.01 3.82 54.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.969 0.414 . . . . 0.0 111.411 -174.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -104.52 167.25 9.86 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.864 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.5 m -73.44 -1.52 18.7 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -173.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -82.48 -4.35 57.35 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.4 t -97.22 113.26 62.9 Favored Pre-proline 0 N--CA 1.437 -1.103 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -59.11 -35.46 97.95 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.102 2.535 . . . . 0.0 112.599 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.3 m -60.43 -55.35 34.64 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 123.36 0.664 . . . . 0.0 110.287 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -52.03 -54.83 25.28 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.045 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -64.4 -34.62 78.6 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.017 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.4 m -97.13 19.72 12.5 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 60.77 39.11 17.64 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -128.66 150.68 50.13 Favored 'General case' 0 CA--C 1.491 -1.323 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 p -79.29 162.21 25.78 Favored 'General case' 0 N--CA 1.417 -2.08 0 CA-C-N 113.563 -1.653 . . . . 0.0 110.662 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 88.3 m -90.06 75.71 7.07 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-O 122.36 1.076 . . . . 0.0 110.765 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.18 102.26 11.76 Favored 'General case' 0 C--N 1.286 -2.177 0 CA-C-N 113.877 -1.51 . . . . 0.0 110.089 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.74 14.28 27.62 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.129 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.1 m -94.18 171.31 8.92 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 120.997 0.427 . . . . 0.0 110.642 -176.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -119.77 44.69 2.33 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 174.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 12.1 p -88.7 140.85 29.03 Favored 'General case' 0 N--CA 1.423 -1.788 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.261 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.6 t -118.8 116.92 52.66 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.18 42.37 8.05 Favored Glycine 0 N--CA 1.428 -1.866 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -178.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.508 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 12.8 t -79.08 110.05 13.96 Favored 'General case' 0 N--CA 1.414 -2.272 0 CA-C-N 114.763 -0.718 . . . . 0.0 112.039 -176.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 25' ' ' LEU . 12.7 mptt -112.47 93.72 4.57 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 105.152 -2.166 . . . . 0.0 105.152 166.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -110.27 116.98 52.38 Favored Pre-proline 0 C--N 1.296 -1.755 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -76.09 -8.11 18.59 Favored 'Trans proline' 0 C--O 1.239 0.527 0 C-N-CA 122.922 2.415 . . . . 0.0 112.76 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -88.44 82.07 7.06 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -89.59 132.92 34.86 Favored 'General case' 0 C--N 1.285 -2.216 0 N-CA-C 104.081 -2.562 . . . . 0.0 104.081 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.18 125.69 24.64 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 118.795 0.725 . . . . 0.0 111.664 -175.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.91 100.68 2.49 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.009 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -124.21 91.71 3.51 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.299 -1.626 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.662 -179.248 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.239 0.525 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -61.21 118.85 5.75 Favored 'Trans proline' 0 C--O 1.245 0.831 0 C-N-CA 122.919 2.412 . . . . 0.0 113.032 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -70.61 145.31 51.93 Favored 'Trans proline' 0 C--O 1.249 1.052 0 C-N-CA 122.543 2.162 . . . . 0.0 109.656 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HZ2' ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -97.95 117.01 65.61 Favored Pre-proline 0 N--CA 1.434 -1.245 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.969 -177.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 52.3 Cg_exo -56.94 150.91 52.45 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.454 2.769 . . . . 0.0 113.931 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -126.55 152.81 46.07 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.5 p -138.51 169.31 18.02 Favored 'General case' 0 C--O 1.259 1.559 0 CA-C-O 121.022 0.439 . . . . 0.0 111.297 -175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -123.12 28.38 7.18 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.679 -1.146 . . . . 0.0 108.354 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.516 ' HB3' HG22 ' A' ' 27' ' ' THR . 86.3 m -52.98 134.05 37.99 Favored 'General case' 0 C--O 1.213 -0.863 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.865 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.92 -40.06 2.67 Favored Glycine 0 C--N 1.294 -1.789 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.1 mt -89.07 -41.54 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.098 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 174.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.9 m -153.42 110.72 3.48 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.548 -1.206 . . . . 0.0 109.201 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -174.87 -60.76 0.05 OUTLIER Glycine 0 C--N 1.312 -0.805 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 177.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.0 p -169.03 160.33 9.87 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.5 t -91.16 80.52 5.63 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -155.05 147.85 24.45 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 p -105.51 -11.58 16.34 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -176.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -124.16 -47.76 1.88 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.512 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -85.21 12.52 7.83 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 121.681 -0.637 . . . . 0.0 110.519 -176.742 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.516 HG22 ' HB3' ' A' ' 16' ' ' CYS . 1.9 m -53.51 -62.84 1.39 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.025 1.73 . . . . 0.0 111.556 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -87.94 -4.58 58.81 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.338 0.589 . . . . 0.0 112.515 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.512 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 69.1 ttt180 -94.94 7.31 46.44 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.8 -175.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -119.12 168.68 10.62 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -74.55 -1.05 19.7 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -171.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -84.18 -12.44 54.89 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-O 121.525 0.679 . . . . 0.0 109.815 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.8 t -84.34 114.57 55.59 Favored Pre-proline 0 N--CA 1.434 -1.26 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 175.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.63 -27.09 84.11 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 123.073 2.515 . . . . 0.0 112.355 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.6 m -66.66 -61.69 1.84 Allowed 'General case' 0 CA--C 1.506 -0.738 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.378 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -53.41 -45.9 69.52 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.212 1.005 . . . . 0.0 110.77 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -66.79 -25.06 66.28 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.796 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.3 m -103.0 15.98 27.93 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.391 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 65.97 21.66 11.3 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.157 0.983 . . . . 0.0 112.091 176.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -103.74 163.06 12.57 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -177.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.3 p -91.27 170.21 10.18 Favored 'General case' 0 N--CA 1.418 -2.058 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.408 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 99.0 m -102.46 71.31 1.2 Allowed 'General case' 0 N--CA 1.418 -2.068 0 CA-C-O 121.817 0.818 . . . . 0.0 110.867 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.5 112.67 24.38 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 114.35 -1.295 . . . . 0.0 108.024 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.47 13.27 42.02 Favored Glycine 0 C--N 1.305 -1.172 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -175.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.9 m -96.31 165.47 12.19 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -120.54 27.09 8.76 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.1 p -69.88 144.07 52.61 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 113.774 -1.557 . . . . 0.0 112.075 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.96 127.33 71.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.09 47.25 11.48 Favored Glycine 0 CA--C 1.505 -0.544 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.1 t -91.34 110.07 21.36 Favored 'General case' 0 N--CA 1.409 -2.481 0 CA-C-O 121.279 0.561 . . . . 0.0 112.149 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 94.31 4.81 Favored 'General case' 0 N--CA 1.417 -2.104 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 167.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -107.5 117.78 54.98 Favored Pre-proline 0 C--N 1.289 -2.061 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.78 -21.95 71.83 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.214 2.609 . . . . 0.0 112.575 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -84.97 93.27 8.53 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.4 88.84 5.23 Favored 'General case' 0 C--N 1.282 -2.347 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 176.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -94.69 85.05 4.36 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.272 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -173.54 113.35 0.21 Allowed 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.295 23.0 p90 -78.04 70.3 4.38 Favored 'General case' 0 C--N 1.29 -2.016 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -172.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.421 -1.902 0 N-CA-C 104.524 -2.398 . . . . 0.0 104.524 174.244 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.0 m . . . . . 0 N--CA 1.437 -1.109 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.86 165.11 30.64 Favored 'Trans proline' 0 C--O 1.247 0.973 0 C-N-CA 122.344 2.03 . . . . 0.0 111.883 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.93 151.4 81.46 Favored 'Trans proline' 0 C--O 1.243 0.769 0 C-N-CA 122.753 2.302 . . . . 0.0 110.903 175.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -74.36 122.31 87.22 Favored Pre-proline 0 C--N 1.305 -1.342 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.325 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -70.29 144.47 51.32 Favored 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 122.061 1.841 . . . . 0.0 108.665 171.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -109.49 133.08 53.52 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 p -120.72 161.11 21.99 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.694 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -126.53 34.1 4.87 Favored 'General case' 0 C--O 1.247 0.959 0 C-N-CA 124.059 0.943 . . . . 0.0 108.809 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 20' ' ' GLY . 64.2 m -57.23 129.36 41.44 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.421 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.52 -33.86 6.06 Favored Glycine 0 N--CA 1.431 -1.699 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.912 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.8 mt -87.86 -54.98 6.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.381 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.5 p -136.34 -47.08 0.63 Allowed 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.172 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.55 ' O ' ' HA ' ' A' ' 16' ' ' CYS . . . -78.33 144.25 28.06 Favored Glycine 0 N--CA 1.431 -1.69 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 178.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.2 m 69.02 117.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.165 0.986 . . . . 0.0 112.067 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m -78.6 -29.65 46.16 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.139 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.488 ' HB3' ' HB ' ' A' ' 26' ' ' THR . 18.2 m120 -67.24 109.68 3.19 Favored 'General case' 0 CA--C 1.498 -1.036 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 173.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -91.12 -15.34 29.58 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.394 0.616 . . . . 0.0 110.678 -175.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.0 mt -106.71 -35.58 6.96 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.778 0.799 . . . . 0.0 108.991 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.488 ' HB ' ' HB3' ' A' ' 23' ' ' ASN . 2.8 m -98.95 34.74 2.03 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.618 ' OG1' ' HA ' ' A' ' 50' ' ' CYS . 1.0 OUTLIER -46.04 -65.04 0.61 Allowed 'General case' 0 C--O 1.209 -1.073 0 C-N-CA 126.167 1.787 . . . . 0.0 113.84 -174.311 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 71.6 m -88.95 -4.16 58.52 Favored 'General case' 0 C--N 1.278 -2.54 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 49.2 ttt180 -108.1 28.79 7.92 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.797 0.808 . . . . 0.0 110.73 -175.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -127.83 167.63 16.29 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -63.72 -15.29 58.12 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -173.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -89.84 -0.93 57.85 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.65 -0.656 . . . . 0.0 111.773 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.0 t -91.99 118.82 68.41 Favored Pre-proline 0 C--O 1.243 0.724 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.582 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.71 -31.44 86.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 122.857 2.371 . . . . 0.0 112.447 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.8 m -64.61 -55.02 22.95 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 79.3 t80 -54.27 -52.24 62.04 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 124.498 1.119 . . . . 0.0 111.749 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -70.29 -26.52 63.84 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.461 -174.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 t -94.49 1.45 55.73 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.435 0.636 . . . . 0.0 109.396 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 64.27 33.27 11.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.612 1.165 . . . . 0.0 112.568 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -111.82 165.29 12.19 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.923 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -96.05 167.6 11.12 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 124.193 0.997 . . . . 0.0 113.127 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 91.2 m -94.69 75.87 3.71 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.542 -0.753 . . . . 0.0 112.213 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.58 109.38 21.02 Favored 'General case' 0 C--N 1.277 -2.574 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.463 172.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.46 12.87 56.67 Favored Glycine 0 C--O 1.24 0.513 0 C-N-CA 121.374 -0.441 . . . . 0.0 112.586 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.0 m -82.37 167.38 18.57 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 120.801 0.334 . . . . 0.0 111.054 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -114.28 11.71 17.46 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.5 p -72.91 142.98 47.88 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.823 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 t -111.22 124.48 68.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.474 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.55 54.68 35.12 Favored Glycine 0 CA--C 1.497 -1.062 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.618 ' HA ' ' OG1' ' A' ' 27' ' ' THR . 11.3 p -89.1 131.68 35.14 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.785 -176.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 48.9 mmtm -106.2 95.12 5.55 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 171.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -109.72 119.82 46.7 Favored Pre-proline 0 C--N 1.294 -1.846 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -56.33 -31.03 83.34 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.998 2.466 . . . . 0.0 111.376 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -86.11 99.64 11.64 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.319 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -114.92 20.53 15.04 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 122.524 1.154 . . . . 0.0 108.253 175.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.23 140.67 57.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.389 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 t70 77.22 -30.04 0.17 Allowed 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 124.069 0.948 . . . . 0.0 112.599 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -88.76 77.87 7.77 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-O 121.85 0.833 . . . . 0.0 109.072 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--N 1.306 -1.314 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.689 -179.817 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.434 -1.27 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -84.01 161.19 13.73 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.806 2.338 . . . . 0.0 111.619 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -52.52 130.4 36.27 Favored 'Trans proline' 0 C--O 1.256 1.38 0 C-N-CA 122.866 2.378 . . . . 0.0 110.949 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -130.03 140.15 37.8 Favored Pre-proline 0 C--N 1.307 -1.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.216 -174.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -71.57 142.53 40.44 Favored 'Trans proline' 0 C--O 1.242 0.682 0 C-N-CA 122.49 2.127 . . . . 0.0 111.884 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -112.46 119.68 39.06 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 121.439 0.637 . . . . 0.0 109.716 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -91.79 157.8 16.69 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.586 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.573 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 3.0 tmm_? -124.96 41.13 3.59 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.584 ' HB3' HG22 ' A' ' 27' ' ' THR . 73.0 m -65.22 138.35 58.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 113.679 -1.6 . . . . 0.0 110.831 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.1 -48.2 1.05 Allowed Glycine 0 CA--C 1.497 -1.052 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 174.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.0 mt -68.13 -38.34 79.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.437 0.637 . . . . 0.0 109.981 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 15' ' ' ARG . 26.3 t -145.68 164.99 30.04 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.42 -64.15 1.12 Allowed Glycine 0 N--CA 1.437 -1.289 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.3 t -155.35 132.94 11.18 Favored 'General case' 0 N--CA 1.421 -1.898 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.9 m -87.48 93.56 9.45 Favored 'General case' 0 N--CA 1.427 -1.617 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -148.92 138.15 21.61 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.1 m -111.26 1.66 17.29 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.638 0.732 . . . . 0.0 110.585 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.1 mt -97.92 -58.02 2.09 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -169.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 p -122.32 16.72 10.61 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 120.837 0.351 . . . . 0.0 111.249 -174.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.584 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -47.95 -64.82 0.69 Allowed 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 126.049 1.74 . . . . 0.0 113.583 -174.461 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.7 m -87.34 -4.84 59.06 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 24.9 ttt180 -91.63 -7.09 51.01 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.984 0.421 . . . . 0.0 111.715 -175.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -107.51 173.96 6.09 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.503 -177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -66.75 -4.47 9.14 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -173.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -88.46 -0.87 57.67 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.329 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.8 t -101.15 113.76 65.8 Favored Pre-proline 0 N--CA 1.415 -2.176 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -62.04 -23.95 76.18 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 122.86 2.373 . . . . 0.0 112.08 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.1 m -69.38 -61.23 1.87 Allowed 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.732 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -52.58 -48.67 66.08 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 123.772 0.829 . . . . 0.0 111.954 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -34.18 75.73 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.604 -175.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -97.55 18.58 15.12 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 69.93 17.01 7.58 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.648 1.179 . . . . 0.0 113.95 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -94.26 170.02 9.81 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 121.443 0.64 . . . . 0.0 112.027 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.0 p -101.58 165.22 11.35 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.074 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.635 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 65.9 m -106.06 14.69 27.46 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.42 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . . . -74.48 109.23 7.79 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 173.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.13 11.86 24.99 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.151 -177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.635 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 75.2 m -97.4 -175.35 3.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.218 0.532 . . . . 0.0 110.876 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -118.45 36.57 4.34 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 7.5 p -93.41 130.51 39.19 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.443 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.6 t -113.51 123.89 69.61 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.185 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.56 36.68 10.31 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 108.986 -1.646 . . . . 0.0 108.986 -176.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.4 t -79.56 110.07 14.53 Favored 'General case' 0 N--CA 1.401 -2.924 0 CA-C-N 114.557 -0.822 . . . . 0.0 110.494 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 74.7 mmtt -114.75 93.06 4.16 Favored 'General case' 0 N--CA 1.409 -2.497 0 N-CA-C 104.143 -2.54 . . . . 0.0 104.143 168.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -111.21 114.73 53.22 Favored Pre-proline 0 C--N 1.291 -1.945 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -59.01 -5.08 2.45 Favored 'Trans proline' 0 CA--C 1.547 1.14 0 C-N-CA 124.278 3.319 . . . . 0.0 114.701 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -92.31 138.31 31.63 Favored 'General case' 0 CA--C 1.486 -1.488 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.38 177.65 5.77 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 123.635 0.584 . . . . 0.0 111.264 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -77.1 167.8 21.16 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.772 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.42 ' OD1' ' HB3' ' A' ' 43' ' ' ALA . 3.5 m-20 -64.18 141.97 58.58 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.703 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -86.8 77.97 9.17 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 122.437 1.113 . . . . 0.0 110.112 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.303 -1.425 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.964 -177.019 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.8 m . . . . . 0 N--CA 1.443 -0.812 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 97.5 Cg_endo -85.94 157.55 10.12 Favored 'Trans proline' 0 CA--C 1.548 1.197 0 C-N-CA 122.885 2.39 . . . . 0.0 112.828 -176.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 9' ' ' PRO . 13.8 Cg_exo -70.63 127.25 13.65 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.406 2.071 . . . . 0.0 110.136 175.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -94.32 136.85 23.03 Favored Pre-proline 0 C--N 1.298 -1.632 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.594 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.94 132.46 18.37 Favored 'Trans proline' 0 N--CA 1.439 -1.723 0 C-N-CA 121.226 1.284 . . . . 0.0 109.031 167.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -108.12 112.07 24.42 Favored 'General case' 0 C--N 1.274 -2.696 0 CA-C-O 121.63 0.729 . . . . 0.0 109.733 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 p -81.09 145.08 31.27 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.777 -174.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -108.91 34.75 3.53 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.78 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.564 ' HB3' HG22 ' A' ' 27' ' ' THR . 99.6 m -54.13 144.4 19.83 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 114.259 -1.337 . . . . 0.0 110.838 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.01 -43.24 2.05 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.9 mt -89.59 -47.67 14.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 m -80.76 -12.52 59.44 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.556 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 174.07 155.06 11.44 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.354 -0.927 . . . . 0.0 111.119 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 m -149.42 101.26 3.09 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.9 t -81.18 -55.42 4.76 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -149.11 119.6 7.41 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.6 m -65.97 -10.14 36.57 Favored 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -173.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.1 mp -97.88 -5.06 35.35 Favored 'General case' 0 C--N 1.311 -1.108 0 O-C-N 121.304 -0.872 . . . . 0.0 110.098 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m -137.38 18.23 2.93 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-O 121.212 0.529 . . . . 0.0 109.793 -177.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.564 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.9 OUTLIER -53.81 -58.3 7.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.996 0.919 . . . . 0.0 111.219 -177.046 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 84.4 m -87.91 -3.92 58.88 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 115.357 -0.838 . . . . 0.0 113.171 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 69.3 ttt180 -102.16 9.93 39.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.493 0.663 . . . . 0.0 110.893 -175.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -114.15 165.73 12.35 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.839 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.1 m -59.21 -19.67 47.39 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 124.541 1.137 . . . . 0.0 113.776 -174.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -84.55 1.26 46.64 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.4 t -98.33 123.88 48.92 Favored Pre-proline 0 C--N 1.313 -1.021 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.21 -15.58 50.85 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.887 2.391 . . . . 0.0 112.666 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.534 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 93.6 m -80.42 -59.41 2.71 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.495 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.545 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 78.5 t80 -51.98 -55.45 20.32 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 123.851 0.86 . . . . 0.0 112.095 -179.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -71.19 -30.44 66.41 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.289 -172.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.5 m -103.88 14.68 30.31 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 64.75 33.25 10.49 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.534 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 47.9 m-80 -100.54 161.67 13.45 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 p -98.35 149.25 22.83 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.327 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.8 m -91.37 69.62 5.97 Favored 'General case' 0 CA--C 1.491 -1.325 0 CA-C-O 122.139 0.971 . . . . 0.0 110.47 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.54 108.68 10.42 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.53 8.02 44.22 Favored Glycine 0 C--N 1.3 -1.465 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -175.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 78.3 m -95.21 156.78 16.18 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -108.25 27.59 9.16 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.744 0.783 . . . . 0.0 109.757 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 7.6 p -72.1 131.55 42.98 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.939 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.4 t -104.58 126.52 59.37 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-N 114.256 -1.338 . . . . 0.0 107.775 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.01 51.44 7.65 Favored Glycine 0 N--CA 1.44 -1.048 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.43 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 7.2 t -92.27 123.83 35.89 Favored 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 115.254 -0.473 . . . . 0.0 111.21 -176.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 75.6 mmtt -122.51 93.77 4.08 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 167.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -111.55 118.53 46.93 Favored Pre-proline 0 C--N 1.287 -2.134 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -71.28 -13.14 30.67 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 122.068 1.845 . . . . 0.0 111.109 175.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -96.14 98.5 10.38 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 121.724 0.773 . . . . 0.0 109.655 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.606 ' H ' ' HD3' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -91.99 171.91 8.8 Favored 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 174.913 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -78.83 99.61 6.8 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-O 121.859 0.838 . . . . 0.0 112.334 -172.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -89.28 115.38 26.72 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 114.392 -1.276 . . . . 0.0 107.654 176.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -146.8 126.12 13.09 Favored 'General case' 0 C--N 1.264 -3.137 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -177.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.431 -1.381 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.29 179.771 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.441 -0.924 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -61.62 149.93 87.71 Favored 'Trans proline' 0 C--O 1.251 1.169 0 C-N-CA 122.29 1.993 . . . . 0.0 110.055 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.37 126.86 23.64 Favored 'Trans proline' 0 C--O 1.243 0.774 0 C-N-CA 122.211 1.941 . . . . 0.0 111.063 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 26.4 pttm -111.48 148.76 39.5 Favored Pre-proline 0 N--CA 1.43 -1.44 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.479 -177.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 16.4 Cg_exo -66.35 146.13 79.71 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.808 2.339 . . . . 0.0 112.013 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 9.9 mptt -112.62 114.21 26.72 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.0 p -93.21 153.37 18.65 Favored 'General case' 0 C--N 1.281 -2.385 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.687 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 15' ' ' ARG . 3.7 mpt_? -110.61 32.54 5.13 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.502 ' HB3' HG22 ' A' ' 27' ' ' THR . 95.9 m -55.21 136.67 48.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.259 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.545 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . 101.35 -41.27 2.18 Favored Glycine 0 C--N 1.294 -1.78 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.2 mt -81.14 -45.86 20.76 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 172.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.469 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 13.3 m -120.99 101.55 7.76 Favored 'General case' 0 N--CA 1.415 -2.182 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 172.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.77 86.68 0.12 Allowed Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.11 -1.043 . . . . 0.0 112.15 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 p -87.81 -15.6 36.41 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.435 0.635 . . . . 0.0 111.019 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.418 ' OG ' ' HD2' ' A' ' 32' ' ' ARG . 13.0 m -93.42 53.81 1.96 Allowed 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.868 -175.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 73.27 118.43 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.891 1.276 . . . . 0.0 111.861 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 p -74.0 -4.95 38.43 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -97.69 -15.13 20.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.995 0.426 . . . . 0.0 109.954 177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -134.56 26.37 3.73 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 -174.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.502 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -47.2 -64.34 0.81 Allowed 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 126.123 1.769 . . . . 0.0 112.8 -174.03 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 100.0 m -88.27 -4.75 58.65 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.555 178.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 71.1 ttt180 -102.13 22.11 13.74 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.648 0.737 . . . . 0.0 111.171 -171.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -129.14 164.95 22.25 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.583 -0.698 . . . . 0.0 109.584 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 p -68.7 -1.35 6.77 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -173.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' HD2' ' OG ' ' A' ' 22' ' ' SER . 98.6 mtt180 -95.24 -8.77 35.12 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.802 -0.561 . . . . 0.0 110.134 177.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.5 t -84.19 120.64 74.88 Favored Pre-proline 0 C--O 1.246 0.91 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.03 -23.68 73.98 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.198 2.599 . . . . 0.0 113.114 -175.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.3 m -76.55 -61.97 1.78 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.678 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 74.8 t80 -46.0 -55.44 6.85 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.63 1.572 . . . . 0.0 112.0 -178.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.586 ' HE3' ' O ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -63.79 -38.31 90.64 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.579 -175.568 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.1 m -90.8 15.59 10.92 Favored 'General case' 0 C--N 1.31 -1.145 0 O-C-N 122.094 -0.379 . . . . 0.0 112.008 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 65.45 21.23 11.83 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.257 1.023 . . . . 0.0 111.722 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -100.16 156.23 17.31 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.838 0.828 . . . . 0.0 111.314 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.462 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . 2.4 p -93.69 172.06 8.49 Favored 'General case' 0 C--N 1.277 -2.567 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.607 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 69.8 m -111.43 14.71 21.48 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.24 111.94 5.5 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 174.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.07 -15.59 33.35 Favored Glycine 0 N--CA 1.434 -1.469 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.539 -174.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 73.2 m -76.95 152.42 35.29 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 175.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -94.67 19.28 10.15 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.111 0.481 . . . . 0.0 110.364 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 7.7 p -67.95 130.79 44.05 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.824 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.545 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 31.6 t -109.24 119.49 58.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -177.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.25 43.03 5.71 Favored Glycine 0 C--N 1.299 -1.507 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 -174.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.484 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 5.4 t -90.08 119.78 30.71 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 114.689 -0.756 . . . . 0.0 111.183 -177.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 31.7 mmmt -117.93 93.87 4.3 Favored 'General case' 0 C--N 1.288 -2.106 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 171.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -111.63 116.11 50.68 Favored Pre-proline 0 C--N 1.296 -1.732 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.82 -2.3 12.44 Favored 'Trans proline' 0 CA--C 1.55 1.31 0 C-N-CA 122.569 2.179 . . . . 0.0 112.472 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -101.05 147.51 26.12 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 176.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HD3' ' N ' ' A' ' 56' ' ' GLU . 5.3 tmtt? -158.36 137.67 11.69 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -176.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.48 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -81.18 94.5 6.68 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 175.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -121.67 135.26 54.97 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.195 -171.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -81.05 116.94 21.24 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 121.435 0.636 . . . . 0.0 111.035 -177.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t . . . . . 0 C--N 1.297 -1.705 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.189 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.445 -0.7 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 93.3 Cg_endo -80.51 118.97 3.63 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.296 1.997 . . . . 0.0 112.34 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 9' ' ' PRO . 7.7 Cg_exo -74.51 153.11 44.16 Favored 'Trans proline' 0 C--O 1.251 1.164 0 C-N-CA 122.046 1.831 . . . . 0.0 110.068 174.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -85.14 163.84 43.84 Favored Pre-proline 0 C--N 1.296 -1.76 0 CA-C-O 118.469 -0.777 . . . . 0.0 109.497 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -48.99 144.42 15.67 Favored 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.721 2.281 . . . . 0.0 113.636 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HB2' ' HA ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -118.81 153.08 35.07 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.446 -1.252 . . . . 0.0 113.137 -172.432 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.2 p -129.46 163.64 25.44 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.509 -174.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -115.21 32.36 6.1 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.037 0.935 . . . . 0.0 109.984 177.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.0 m -60.01 144.67 48.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.063 0.459 . . . . 0.0 111.306 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.04 -31.41 8.27 Favored Glycine 0 C--N 1.302 -1.335 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.3 mt -89.21 -54.84 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.551 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 176.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 m -67.91 106.04 2.18 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.101 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.97 -18.45 55.77 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.876 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.0 t 59.72 -83.56 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.913 1.285 . . . . 0.0 112.61 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t -84.95 90.31 7.79 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-O 121.645 0.736 . . . . 0.0 110.399 -177.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -155.18 26.57 0.41 Allowed 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 103.691 -2.707 . . . . 0.0 103.691 174.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.5 m -58.17 -32.46 68.24 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 112.97 -1.923 . . . . 0.0 114.016 -169.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.408 HD23 ' H ' ' A' ' 25' ' ' LEU . 2.2 pt? -76.12 -26.99 56.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -177.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 p -132.99 31.31 3.89 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 122.141 -0.35 . . . . 0.0 111.353 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.437 ' OG1' ' HA ' ' A' ' 50' ' ' CYS . 0.3 OUTLIER -50.51 -65.99 0.46 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.847 0.859 . . . . 0.0 112.768 -175.804 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 93.3 m -89.45 -5.99 56.89 Favored 'General case' 0 N--CA 1.416 -2.156 0 CA-C-N 114.825 -1.08 . . . . 0.0 113.773 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -99.71 29.67 4.01 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.819 -171.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -133.29 174.2 10.64 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 121.735 -0.603 . . . . 0.0 109.668 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -70.66 -2.82 15.64 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -173.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -90.85 -10.14 43.78 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.376 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 50.8 t -94.04 117.37 67.16 Favored Pre-proline 0 N--CA 1.429 -1.48 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.096 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.76 -4.23 10.79 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 123.733 2.955 . . . . 0.0 112.847 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.579 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 71.7 m -89.24 -68.14 0.79 Allowed 'General case' 0 N--CA 1.42 -1.931 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.466 178.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -55.21 -51.65 65.89 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -174.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -70.13 -22.14 63.02 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.251 0.548 . . . . 0.0 111.057 -173.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.6 m -100.84 7.01 43.93 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.013 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 63.46 34.26 12.94 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.579 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 87.8 m-20 -103.46 168.4 9.18 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.223 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.1 p -108.46 169.08 8.87 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 122.798 0.439 . . . . 0.0 109.958 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.497 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 89.4 m -93.67 72.23 4.26 Favored 'General case' 0 N--CA 1.434 -1.253 0 CA-C-O 121.789 0.804 . . . . 0.0 110.69 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.76 104.27 13.21 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.22 177.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.67 14.31 47.4 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 119.976 -1.107 . . . . 0.0 111.324 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.502 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 78.0 m -81.95 168.13 18.2 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.263 0.554 . . . . 0.0 111.99 -178.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -119.86 29.05 7.75 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.2 p -92.54 150.97 20.42 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.696 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -121.57 123.19 68.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.386 -177.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.76 42.01 87.75 Favored Glycine 0 C--O 1.249 1.083 0 O-C-N 123.39 0.431 . . . . 0.0 112.208 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.437 ' HA ' ' OG1' ' A' ' 27' ' ' THR . 8.1 p -85.04 138.59 32.34 Favored 'General case' 0 N--CA 1.426 -1.644 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.019 -174.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -106.67 94.24 5.02 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 171.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -111.01 120.42 43.41 Favored Pre-proline 0 N--CA 1.428 -1.557 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -60.15 -22.75 71.26 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.483 2.122 . . . . 0.0 111.925 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -86.83 80.51 8.47 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 120.998 0.428 . . . . 0.0 111.562 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -110.91 74.83 0.89 Allowed 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 105.07 -2.196 . . . . 0.0 105.07 168.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' A' ' 56' ' ' GLU . 7.4 pt-20 -70.38 93.35 0.86 Allowed 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 113.048 -1.887 . . . . 0.0 113.088 -173.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -102.33 162.04 13.23 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 114.449 -1.251 . . . . 0.0 107.69 176.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -78.79 86.29 4.73 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-O 121.406 0.622 . . . . 0.0 109.604 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.298 -1.632 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.336 179.091 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.439 -0.989 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.34 132.14 20.28 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.252 1.968 . . . . 0.0 112.38 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -61.13 126.64 19.95 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 121.896 1.731 . . . . 0.0 108.522 173.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -132.39 159.75 71.03 Favored Pre-proline 0 C--N 1.3 -1.564 0 CA-C-O 118.562 -0.732 . . . . 0.0 109.405 -173.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -48.49 132.97 25.56 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 123.259 2.64 . . . . 0.0 114.929 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -134.46 152.85 52.06 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 113.494 -1.684 . . . . 0.0 107.144 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.0 p -137.51 170.54 15.89 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 120.883 0.373 . . . . 0.0 111.561 -173.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -127.71 27.58 5.74 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.194 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.47 ' HB3' HG22 ' A' ' 27' ' ' THR . 64.1 m -56.97 106.92 0.35 Allowed 'General case' 0 C--O 1.211 -0.962 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.219 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.11 -37.09 2.01 Favored Glycine 0 C--N 1.292 -1.879 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.3 mm -76.81 -55.11 11.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 175.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.1 m -158.96 158.36 33.13 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.23 19.56 74.25 Favored Glycine 0 C--O 1.244 0.746 0 N-CA-C 110.224 -1.15 . . . . 0.0 110.224 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -69.06 113.06 6.1 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 124.08 0.952 . . . . 0.0 110.326 -177.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.644 ' O ' ' HA ' ' A' ' 27' ' ' THR . 8.4 m -110.12 108.5 18.7 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.7 m120 79.6 165.77 0.19 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 125.032 1.333 . . . . 0.0 109.529 -173.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 t -110.58 -29.43 8.05 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.563 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -105.41 -44.43 4.72 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.44 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 5.6 m -87.15 25.15 1.41 Allowed 'General case' 0 CA--C 1.569 1.688 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.062 -178.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.644 ' HA ' ' O ' ' A' ' 22' ' ' SER . 1.0 OUTLIER -52.24 -65.18 0.6 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.969 1.308 . . . . 0.0 112.367 -174.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 99.5 m -88.5 -4.4 58.62 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.148 177.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 62.4 ttt-85 -91.18 -1.14 57.78 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.577 -175.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -112.78 162.76 15.4 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.506 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m -67.59 -5.14 14.11 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -174.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -86.58 -3.58 59.05 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.422 0.63 . . . . 0.0 109.434 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.3 t -94.75 127.67 42.55 Favored Pre-proline 0 N--CA 1.439 -1.02 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.53 -35.13 83.5 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.517 2.145 . . . . 0.0 112.594 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.5 m -64.47 -57.67 8.57 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.581 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.427 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 86.9 t80 -52.16 -51.31 58.76 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 123.881 0.872 . . . . 0.0 111.803 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -64.13 -37.93 89.22 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 123.897 0.748 . . . . 0.0 110.366 -174.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.4 m -87.76 8.42 25.77 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 70.43 24.05 4.73 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.063 0.945 . . . . 0.0 112.948 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -103.92 161.37 14.03 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.241 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.0 p -100.76 168.87 9.39 Favored 'General case' 0 C--N 1.286 -2.161 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.495 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.5 m -95.27 73.27 3.33 Favored 'General case' 0 N--CA 1.418 -2.074 0 CA-C-O 122.33 1.062 . . . . 0.0 110.778 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.74 110.93 18.44 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 112.818 -1.992 . . . . 0.0 107.179 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.47 13.64 40.77 Favored Glycine 0 C--N 1.307 -1.057 0 C-N-CA 120.364 -0.922 . . . . 0.0 111.027 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.6 m -96.58 170.6 9.09 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 123.01 0.524 . . . . 0.0 109.713 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -120.07 44.34 2.45 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.969 0.89 . . . . 0.0 108.689 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.4 p -93.06 151.23 20.0 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.451 -1.249 . . . . 0.0 110.275 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.9 t -129.75 130.43 66.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.7 45.73 9.2 Favored Glycine 0 CA--C 1.5 -0.856 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.3 t -98.47 110.29 22.9 Favored 'General case' 0 N--CA 1.413 -2.299 0 CA-C-N 114.599 -0.8 . . . . 0.0 112.944 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 55.0 mtpt -113.54 95.3 5.28 Favored 'General case' 0 C--N 1.279 -2.492 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 167.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -106.13 115.08 61.74 Favored Pre-proline 0 C--N 1.298 -1.636 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.492 ' CG ' ' HG3' ' A' ' 29' ' ' ARG . 32.1 Cg_exo -62.11 -13.8 33.92 Favored 'Trans proline' 0 N--CA 1.478 0.566 0 C-N-CA 123.283 2.656 . . . . 0.0 113.208 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -94.24 136.88 34.04 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.81 115.96 11.74 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -83.93 85.45 7.32 Favored 'General case' 0 N--CA 1.413 -2.314 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -71.34 88.64 0.87 Allowed 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 113.855 -1.521 . . . . 0.0 108.571 -176.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -93.03 109.07 20.52 Favored 'General case' 0 C--N 1.267 -3.004 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.016 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.425 -1.711 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.613 179.194 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.455 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 16.5 m . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -85.18 107.26 1.03 Allowed 'Trans proline' 0 CA--C 1.549 1.263 0 C-N-CA 122.337 2.025 . . . . 0.0 113.178 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 8' ' ' SER . 98.5 Cg_endo -88.28 167.62 6.48 Favored 'Trans proline' 0 C--O 1.247 0.968 0 C-N-CA 122.564 2.176 . . . . 0.0 111.687 178.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -116.29 140.84 26.98 Favored Pre-proline 0 C--N 1.314 -0.961 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.9 144.24 76.07 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.257 1.971 . . . . 0.0 110.159 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -125.31 150.0 47.54 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 15' ' ' ARG . 28.0 p -128.91 168.0 16.59 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.41 -175.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 14' ' ' CYS . 8.2 mpt_? -120.62 27.55 8.48 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.116 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.445 ' HB3' HG22 ' A' ' 27' ' ' THR . 79.3 m -57.12 115.3 2.56 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.946 178.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . 122.26 -40.42 2.06 Favored Glycine 0 C--N 1.287 -2.185 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -178.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.2 mt -78.41 -43.39 26.69 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 172.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.0 m -133.52 164.87 26.2 Favored 'General case' 0 N--CA 1.424 -1.768 0 CA-C-N 113.626 -1.625 . . . . 0.0 106.967 176.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.9 45.18 3.43 Favored Glycine 0 C--N 1.31 -0.89 0 C-N-CA 119.953 -1.117 . . . . 0.0 112.589 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.4 m -76.91 102.68 6.48 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.2 m -151.68 -45.48 0.11 Allowed 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.422 ' HB3' ' HB ' ' A' ' 26' ' ' THR . 46.1 m-80 -127.22 127.44 44.47 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.5 m -95.11 -30.84 13.84 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.615 0.722 . . . . 0.0 110.927 -175.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.4 mt -95.19 -33.35 12.65 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 122.246 1.022 . . . . 0.0 108.607 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.422 ' HB ' ' HB3' ' A' ' 23' ' ' ASN . 2.2 m -105.22 28.16 7.56 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.187 -176.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.445 HG22 ' HB3' ' A' ' 16' ' ' CYS . 21.3 m -47.54 -64.77 0.7 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.6 m -87.69 -3.8 58.95 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HB2' ' HB2' ' A' ' 51' ' ' LYS . 63.8 ttt180 -98.46 17.39 19.06 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 -171.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -129.6 176.19 8.19 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.156 -0.617 . . . . 0.0 111.255 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 m -62.17 -13.71 30.11 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.381 1.472 . . . . 0.0 114.05 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.38 1.77 57.04 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 122.022 -0.423 . . . . 0.0 111.832 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.9 t -101.33 112.29 64.86 Favored Pre-proline 0 N--CA 1.432 -1.348 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.24 -29.11 86.69 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 123.164 2.576 . . . . 0.0 112.341 -175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.0 m -68.56 -61.83 1.65 Allowed 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.089 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -53.93 -52.17 61.45 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 124.36 1.037 . . . . 0.0 112.014 -176.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 10.3 tmtt? -63.56 -36.0 82.33 Favored 'General case' 0 N--CA 1.438 -1.05 0 O-C-N 124.059 0.85 . . . . 0.0 109.879 -174.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 m -91.62 16.84 9.71 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 120.971 0.415 . . . . 0.0 110.672 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 65.71 22.55 11.58 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.249 1.42 . . . . 0.0 114.688 173.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -95.75 170.0 9.62 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.648 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.471 ' HA ' ' OD1' ' A' ' 52' ' ' ASN . 32.5 p -96.46 168.87 10.29 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.144 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.536 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 59.8 m -109.52 12.13 24.58 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.191 0.519 . . . . 0.0 111.915 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.27 112.24 7.25 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 174.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.8 -3.65 34.09 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.943 -177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.536 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 72.9 m -82.49 -173.44 4.6 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.236 0.541 . . . . 0.0 109.56 176.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -120.2 26.58 9.14 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 45' ' ' CYS . 7.7 p -77.37 143.79 38.45 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.604 -1.18 . . . . 0.0 112.384 -177.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.403 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 67.0 t -120.01 127.05 75.87 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 C-N-CA 124.546 1.139 . . . . 0.0 108.21 -176.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.52 50.93 18.43 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -175.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.2 t -95.25 118.01 31.26 Favored 'General case' 0 N--CA 1.421 -1.88 0 CA-C-N 114.896 -0.652 . . . . 0.0 112.401 -175.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 29' ' ' ARG . 46.5 mmtm -110.21 94.2 4.89 Favored 'General case' 0 N--CA 1.421 -1.918 0 N-CA-C 105.694 -1.965 . . . . 0.0 105.694 168.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.471 ' OD1' ' HA ' ' A' ' 41' ' ' SER . 25.4 t-20 -111.01 104.99 56.94 Favored Pre-proline 0 C--N 1.293 -1.859 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -61.58 -2.51 2.68 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.303 2.669 . . . . 0.0 114.884 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.416 ' HB2' ' OD1' ' A' ' 52' ' ' ASN . 91.7 m-70 -94.28 138.68 31.99 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.215 0.531 . . . . 0.0 109.725 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -102.86 163.66 12.08 Favored 'General case' 0 C--N 1.282 -2.365 0 C-N-CA 124.49 1.116 . . . . 0.0 108.132 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HA ' ' OE1' ' A' ' 56' ' ' GLU . 6.2 mm-40 -80.92 87.98 5.92 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 121.395 0.617 . . . . 0.0 110.112 173.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -91.51 129.01 37.55 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -140.1 152.84 46.47 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.363 -0.976 . . . . 0.0 108.363 -174.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.305 -1.363 0 CA-C-O 118.438 -0.791 . . . . 0.0 110.327 179.146 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.444 -0.755 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -73.74 132.95 17.89 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 121.889 1.726 . . . . 0.0 110.77 176.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -64.31 126.68 17.49 Favored 'Trans proline' 0 C--O 1.251 1.137 0 C-N-CA 121.991 1.794 . . . . 0.0 110.471 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -69.55 131.95 89.59 Favored Pre-proline 0 C--N 1.313 -1.02 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.513 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -62.4 140.46 82.47 Favored 'Trans proline' 0 N--CA 1.449 -1.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.475 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -106.5 109.58 21.54 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.944 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.7 p -93.12 155.63 17.36 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.839 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -115.9 31.71 6.54 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.817 0.818 . . . . 0.0 110.191 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.1 m -59.62 111.98 1.63 Allowed 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.785 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.41 -38.36 2.23 Favored Glycine 0 C--N 1.294 -1.773 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.5 mt -73.71 -37.36 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 105.458 -2.052 . . . . 0.0 105.458 172.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -129.12 121.0 26.85 Favored 'General case' 0 N--CA 1.412 -2.327 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 172.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.95 65.25 0.02 OUTLIER Glycine 0 C--N 1.306 -1.099 0 C-N-CA 120.062 -1.066 . . . . 0.0 111.896 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -78.05 146.18 35.43 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 m 74.27 -46.56 0.62 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.894 1.277 . . . . 0.0 112.437 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.483 ' O ' HG23 ' A' ' 27' ' ' THR . 7.7 p30 -101.03 84.27 2.64 Favored 'General case' 0 C--O 1.204 -1.32 0 CA-C-O 121.93 0.872 . . . . 0.0 112.191 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.3 m -110.3 -9.02 14.66 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 122.813 1.292 . . . . 0.0 108.248 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' H ' HD23 ' A' ' 25' ' ' LEU . 1.9 pt? -96.68 -12.58 23.64 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.721 176.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.462 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 6.1 p -136.9 25.44 3.04 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.257 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -52.06 -65.55 0.54 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.543 1.137 . . . . 0.0 111.754 -176.002 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 95.6 m -89.2 -4.47 58.21 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.334 177.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 76.2 ttt180 -94.61 5.75 50.91 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.639 -173.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -118.59 167.1 11.94 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.419 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 m -67.39 -9.45 41.64 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -87.28 -4.12 59.06 Favored 'General case' 0 C--O 1.244 0.798 0 O-C-N 121.903 -0.498 . . . . 0.0 110.823 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 45.1 t -89.43 120.52 69.67 Favored Pre-proline 0 N--CA 1.424 -1.731 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.67 -15.62 49.83 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 123.055 2.503 . . . . 0.0 112.7 -176.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 77.6 m -82.7 -58.28 2.96 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.275 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 75.1 t80 -48.53 -59.91 3.12 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.782 1.233 . . . . 0.0 112.609 -178.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -71.09 -18.04 62.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.911 -173.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.405 ' HB2' HD22 ' A' ' 40' ' ' ASN . 18.0 m -104.14 11.85 34.61 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 120.999 0.428 . . . . 0.0 110.61 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 63.65 28.49 15.04 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.069 0.948 . . . . 0.0 112.709 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.405 HD22 ' HB2' ' A' ' 38' ' ' SER . 52.4 m-80 -100.09 165.84 11.31 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-O 121.534 0.683 . . . . 0.0 110.992 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -101.47 150.92 22.55 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.439 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.448 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 89.2 m -87.21 71.21 10.1 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 121.789 0.804 . . . . 0.0 110.545 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.76 108.49 16.4 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 113.82 -1.536 . . . . 0.0 108.348 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.94 3.2 45.72 Favored Glycine 0 C--N 1.308 -1.015 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 73.8 m -86.49 163.51 17.48 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.39 -0.405 . . . . 0.0 110.343 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -112.02 29.28 8.02 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 8.0 p -79.23 131.55 36.21 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.946 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.6 t -118.09 115.88 49.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.4 41.57 5.74 Favored Glycine 0 C--N 1.3 -1.461 0 N-CA-C 108.058 -2.017 . . . . 0.0 108.058 -173.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 6.7 t -81.05 109.41 15.6 Favored 'General case' 0 N--CA 1.42 -1.949 0 CA-C-N 114.338 -0.931 . . . . 0.0 111.171 -176.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -111.4 93.26 4.38 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 170.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -111.78 116.52 49.87 Favored Pre-proline 0 C--N 1.293 -1.851 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -75.47 1.04 8.4 Favored 'Trans proline' 0 C--N 1.326 -0.623 0 C-N-CA 122.318 2.012 . . . . 0.0 112.978 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -97.3 94.28 6.99 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' HD2' ' O ' ' A' ' 55' ' ' LYS . 1.9 pptp? -89.34 128.03 35.86 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 172.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -90.05 136.89 32.77 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -175.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -136.8 -170.82 2.78 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -106.81 109.76 21.75 Favored 'General case' 0 N--CA 1.411 -2.382 0 CA-C-O 121.234 0.54 . . . . 0.0 110.189 -176.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.3 t . . . . . 0 C--N 1.291 -1.957 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 179.233 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.443 -0.805 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.22 160.4 23.28 Favored 'Trans proline' 0 C--O 1.249 1.043 0 C-N-CA 122.134 1.889 . . . . 0.0 110.746 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.4 127.52 25.81 Favored 'Trans proline' 0 C--O 1.25 1.085 0 C-N-CA 122.272 1.982 . . . . 0.0 111.799 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -77.37 158.42 79.23 Favored Pre-proline 0 C--N 1.31 -1.114 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.92 140.61 96.0 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.163 1.909 . . . . 0.0 111.634 177.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -133.53 152.4 51.9 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.067 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 p -122.4 163.28 20.08 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.674 -176.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -127.44 37.31 4.25 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.031 0.932 . . . . 0.0 109.857 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 35.2 m -64.5 149.02 49.44 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.806 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.58 -27.61 10.5 Favored Glycine 0 C--N 1.294 -1.771 0 C-N-CA 119.544 -1.312 . . . . 0.0 112.895 174.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.4 mt -69.79 -48.32 65.07 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 N-CA-C 105.429 -2.064 . . . . 0.0 105.429 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 t -103.59 122.38 44.85 Favored 'General case' 0 N--CA 1.404 -2.729 0 N-CA-C 103.929 -2.619 . . . . 0.0 103.929 168.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.98 1.54 44.55 Favored Glycine 0 C--N 1.305 -1.16 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.905 -177.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -85.72 -3.26 58.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.921 0.867 . . . . 0.0 110.515 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 p -77.59 -50.85 11.69 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 173.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -177.13 150.82 0.77 Allowed 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 105.801 -1.925 . . . . 0.0 105.801 172.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.8 m -110.77 -60.56 1.8 Allowed 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -177.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.4 mt -88.27 -9.75 51.87 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -169.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 p -131.92 36.73 3.66 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 176.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -41.12 -65.3 0.44 Allowed 'General case' 0 C--O 1.214 -0.786 0 C-N-CA 125.201 1.4 . . . . 0.0 113.634 -176.17 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.527 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 71.0 m -88.99 -5.02 58.24 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -95.21 -15.13 23.48 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 120.892 0.377 . . . . 0.0 111.634 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -92.87 162.06 14.24 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.502 -177.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 m -66.66 -15.78 63.73 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -173.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -78.38 -11.1 59.92 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.679 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' A' ' 28' ' ' CYS . 53.6 t -88.57 123.31 68.32 Favored Pre-proline 0 N--CA 1.415 -2.183 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 173.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.65 -32.92 96.64 Favored 'Trans proline' 0 CA--C 1.517 -0.371 0 C-N-CA 122.771 2.314 . . . . 0.0 111.586 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.542 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 65.5 m -60.62 -51.34 69.82 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -176.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.505 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 67.1 t80 -61.07 -46.67 89.71 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.081 0.467 . . . . 0.0 111.136 -177.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -75.4 -26.66 58.59 Favored 'General case' 0 N--CA 1.419 -2.007 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -102.85 3.08 36.23 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.691 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 63.9 39.85 7.85 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.656 1.182 . . . . 0.0 110.587 177.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.542 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 11.9 m120 -95.07 151.78 18.9 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.764 -178.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -99.17 148.93 23.58 Favored 'General case' 0 N--CA 1.408 -2.526 0 CA-C-N 115.37 -0.832 . . . . 0.0 108.807 177.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.689 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 67.4 m -87.54 24.72 1.61 Allowed 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -175.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.29 105.66 12.66 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.56 -4.92 34.93 Favored Glycine 0 N--CA 1.43 -1.707 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -176.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.689 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 97.0 m -79.09 156.92 28.11 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -105.49 19.22 20.93 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.594 0.711 . . . . 0.0 111.179 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 6.0 p -72.05 132.58 44.43 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.92 176.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.0 118.15 49.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.895 -177.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.42 52.42 35.54 Favored Glycine 0 N--CA 1.435 -1.403 0 O-C-N 123.961 0.788 . . . . 0.0 111.14 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.4 p -85.77 134.87 33.92 Favored 'General case' 0 N--CA 1.425 -1.68 0 C-N-CA 120.028 -0.669 . . . . 0.0 109.782 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -101.08 93.25 5.39 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 172.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -112.18 118.24 46.29 Favored Pre-proline 0 C--N 1.301 -1.503 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -60.0 -26.89 83.66 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 122.612 2.208 . . . . 0.0 111.884 174.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -80.7 145.53 31.53 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -124.95 148.3 48.45 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.75 134.68 54.67 Favored 'General case' 0 C--O 1.25 1.122 0 O-C-N 123.529 0.518 . . . . 0.0 109.709 176.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -144.72 141.94 29.66 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -58.53 109.69 0.84 Allowed 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -171.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 79.4 t . . . . . 0 C--N 1.304 -1.389 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 173.474 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.0 t . . . . . 0 N--CA 1.44 -0.955 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.86 117.84 4.64 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.021 2.481 . . . . 0.0 112.383 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -68.03 141.6 53.63 Favored 'Trans proline' 0 C--O 1.255 1.346 0 C-N-CA 122.697 2.265 . . . . 0.0 112.122 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' HB2' ' OD1' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -76.14 147.55 80.07 Favored Pre-proline 0 C--N 1.308 -1.213 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.513 177.785 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HD2' ' OD1' ' A' ' 40' ' ' ASN . 31.6 Cg_exo -57.1 138.92 88.43 Favored 'Trans proline' 0 C--O 1.243 0.764 0 C-N-CA 122.494 2.129 . . . . 0.0 111.229 174.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -135.98 152.32 50.83 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.9 p -137.6 157.02 47.4 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.289 0.566 . . . . 0.0 111.807 -174.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -119.77 38.23 3.97 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.03 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 59.4 m -67.13 161.11 25.33 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.861 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.31 -19.91 31.18 Favored Glycine 0 CA--C 1.494 -1.256 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.963 174.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.4 mt -69.35 -28.63 39.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 122.119 0.961 . . . . 0.0 108.717 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -116.19 89.94 3.22 Favored 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 173.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.4 37.69 2.38 Favored Glycine 0 N--CA 1.429 -1.829 0 C-N-CA 120.188 -1.006 . . . . 0.0 112.809 -175.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.3 m -64.47 -63.97 1.0 Allowed 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.6 t -104.45 -16.89 14.95 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 176.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.474 ' ND2' ' HA ' ' A' ' 27' ' ' THR . 10.7 t30 -94.01 65.47 3.47 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.905 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 m -105.22 -33.95 8.07 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.859 -175.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 7.3 mp -107.59 -37.22 6.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.965 0.888 . . . . 0.0 109.197 177.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -82.87 8.47 12.38 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.852 -176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.474 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 6.8 m -51.37 -66.72 0.34 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.999 1.32 . . . . 0.0 113.375 -173.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 65.2 m -90.58 -5.18 56.23 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 71.0 ttt180 -96.81 23.35 7.17 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.746 -171.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -128.78 164.23 23.47 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.3 m -69.35 -8.97 51.17 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -173.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.498 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.1 mmp_? -86.32 -1.18 57.29 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.688 -0.632 . . . . 0.0 110.995 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.2 t -94.46 118.11 66.98 Favored Pre-proline 0 N--CA 1.43 -1.428 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.66 -34.19 97.77 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.639 2.226 . . . . 0.0 112.532 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.5 m -63.36 -51.2 66.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.743 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -60.02 -44.98 94.25 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.318 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -78.01 -34.01 50.89 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -177.192 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.1 m -90.95 12.78 18.51 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 120.796 0.331 . . . . 0.0 111.44 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.505 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 31.0 m-85 59.49 54.57 4.54 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.558 ' OD1' ' HD2' ' A' ' 12' ' ' PRO . 1.3 m-80 -128.92 156.94 42.92 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 121.321 0.581 . . . . 0.0 111.703 176.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.14 160.07 14.86 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.876 175.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.4 m -90.28 73.26 7.1 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-O 122.037 0.922 . . . . 0.0 113.028 -173.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.39 123.89 51.28 Favored 'General case' 0 C--N 1.286 -2.196 0 CA-C-N 113.676 -1.602 . . . . 0.0 107.321 172.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.29 14.12 59.22 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.428 -0.891 . . . . 0.0 111.271 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 77.9 m -97.0 170.19 9.32 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.197 0.522 . . . . 0.0 110.805 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -114.88 19.06 16.13 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 16.5 p -70.78 125.18 26.11 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -176.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.8 t -99.29 128.25 51.18 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 113.657 -1.61 . . . . 0.0 108.267 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.89 41.39 72.82 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.453 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 8.7 t -75.09 109.64 8.73 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -176.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 25' ' ' LEU . 12.3 mptt -107.18 92.14 3.95 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 166.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.434 ' ND2' ' HB2' ' A' ' 54' ' ' HIS . 51.6 t30 -112.85 115.96 48.03 Favored Pre-proline 0 C--N 1.281 -2.394 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 176.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.81 -9.3 25.75 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 121.89 1.727 . . . . 0.0 110.884 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.505 ' CE1' ' HA ' ' A' ' 39' ' ' TYR . 22.4 m-70 -74.83 105.75 6.03 Favored 'General case' 0 N--CA 1.422 -1.861 0 CA-C-O 122.166 0.984 . . . . 0.0 113.071 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.506 ' HD2' ' O ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -140.7 110.21 6.33 Favored 'General case' 0 C--N 1.263 -3.153 0 N-CA-C 102.884 -3.006 . . . . 0.0 102.884 167.347 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -68.03 138.84 56.15 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.399 -172.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -71.84 -25.33 61.93 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.909 -171.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -64.57 120.44 12.35 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.915 0.864 . . . . 0.0 110.897 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.0 m . . . . . 0 C--N 1.284 -2.241 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.649 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.461 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 14.8 m . . . . . 0 N--CA 1.443 -0.782 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 8' ' ' SER . 39.1 Cg_endo -91.8 120.03 0.55 Allowed 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 122.591 2.194 . . . . 0.0 112.932 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -77.23 155.78 33.08 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.375 2.05 . . . . 0.0 109.968 174.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -108.83 113.84 59.15 Favored Pre-proline 0 C--N 1.31 -1.129 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.91 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -72.91 159.48 48.05 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.688 2.258 . . . . 0.0 111.682 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 60.2 mttp -128.07 153.02 47.27 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.182 -176.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 p -129.53 170.91 13.14 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 121.171 0.51 . . . . 0.0 111.533 -175.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -129.3 25.17 5.49 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.867 -1.06 . . . . 0.0 108.813 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.435 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 82.1 m -52.19 117.85 3.1 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.266 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.06 -37.08 2.46 Favored Glycine 0 C--N 1.298 -1.583 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.7 mt -103.58 -13.75 8.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.403 ' OG ' ' HA ' ' A' ' 16' ' ' CYS . 2.7 p -56.36 -44.58 80.25 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 126.114 1.766 . . . . 0.0 114.161 -176.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.31 -85.07 0.38 Allowed Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -77.93 86.9 4.12 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 121.467 0.651 . . . . 0.0 110.325 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.9 m -154.87 128.52 8.6 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.869 -1.159 . . . . 0.0 107.869 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -71.47 159.46 34.46 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.853 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 m -67.38 -40.78 85.73 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.102 -175.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.575 ' H ' HD23 ' A' ' 25' ' ' LEU . 2.3 pt? -91.42 -44.79 8.92 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.336 0.588 . . . . 0.0 110.494 176.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m -89.25 43.34 1.14 Allowed 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 122.923 0.489 . . . . 0.0 110.14 -176.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 m -64.23 -65.38 0.69 Allowed 'General case' 0 C--O 1.213 -0.827 0 CA-C-O 120.95 0.405 . . . . 0.0 110.844 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 57.1 m -89.6 -5.26 57.33 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 173.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -94.57 3.89 54.54 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 121.234 0.54 . . . . 0.0 111.531 -174.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -97.1 165.91 11.84 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.905 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.556 ' O ' ' HD2' ' A' ' 37' ' ' LYS . 4.4 p -65.66 -15.24 62.59 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -174.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtp-105 -85.46 0.59 51.85 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.953 -0.467 . . . . 0.0 110.921 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.2 t -89.47 110.89 42.24 Favored Pre-proline 0 N--CA 1.432 -1.356 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 174.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.74 -29.03 88.49 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.197 2.598 . . . . 0.0 112.581 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.0 m -67.76 -60.09 2.8 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -52.83 -50.17 64.26 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 124.761 1.225 . . . . 0.0 111.458 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.556 ' HD2' ' O ' ' A' ' 31' ' ' SER . 77.7 tttt -68.52 -25.12 64.78 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.678 -175.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.6 m -100.13 8.91 43.55 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 66.75 29.38 8.6 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.024 0.93 . . . . 0.0 112.93 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -109.28 159.83 16.63 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 120.913 0.387 . . . . 0.0 110.532 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.2 p -87.33 164.86 16.02 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.934 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 69.0 m -92.89 77.86 4.74 Favored 'General case' 0 N--CA 1.417 -2.077 0 CA-C-O 122.01 0.91 . . . . 0.0 109.471 177.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.94 105.86 13.75 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 113.871 -1.513 . . . . 0.0 109.297 174.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.414 ' O ' ' HD3' ' A' ' 13' ' ' LYS . . . 99.75 13.85 36.29 Favored Glycine 0 CA--C 1.499 -0.917 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.128 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.2 m -85.51 177.59 7.7 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.297 0.57 . . . . 0.0 110.204 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -119.66 24.4 10.63 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.479 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 13.7 p -71.46 141.53 50.22 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 114.269 -1.332 . . . . 0.0 110.569 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.9 t -119.08 113.91 42.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -176.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.68 52.33 4.46 Favored Glycine 0 N--CA 1.429 -1.811 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 -177.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.479 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 10.1 t -81.16 117.64 21.87 Favored 'General case' 0 N--CA 1.418 -2.074 0 C-N-CA 123.72 0.808 . . . . 0.0 112.092 -175.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 9.1 mptt -115.01 93.39 4.29 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 105.512 -2.032 . . . . 0.0 105.512 168.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -111.15 121.04 41.65 Favored Pre-proline 0 C--N 1.292 -1.908 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -66.68 -16.36 50.23 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 174.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -82.27 87.16 6.57 Favored 'General case' 0 CA--C 1.491 -1.305 0 CA-C-O 122.104 0.954 . . . . 0.0 110.688 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -141.83 163.3 33.28 Favored 'General case' 0 C--N 1.277 -2.565 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.81 110.35 6.28 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-O 121.307 0.575 . . . . 0.0 111.313 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -75.14 82.53 2.32 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 175.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -130.06 115.83 17.67 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 113.816 -1.538 . . . . 0.0 109.299 -171.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 C--N 1.299 -1.597 0 CA-C-O 118.608 -0.71 . . . . 0.0 110.257 177.281 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.445 -0.721 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -89.27 131.76 2.15 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 122.001 1.8 . . . . 0.0 112.035 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -70.72 132.54 21.99 Favored 'Trans proline' 0 N--CA 1.445 -1.361 0 C-N-CA 121.513 1.475 . . . . 0.0 109.695 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -66.59 143.1 97.99 Favored Pre-proline 0 C--N 1.311 -1.087 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.125 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.45 151.13 38.91 Favored 'Trans proline' 0 C--O 1.247 0.956 0 C-N-CA 122.274 1.982 . . . . 0.0 111.499 175.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 20.1 pttp -130.64 116.59 18.3 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 121.92 0.867 . . . . 0.0 110.351 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.3 p -110.01 158.28 18.42 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.186 -174.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 15' ' ' ARG . 6.4 mpt_? -111.55 30.35 7.04 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.495 ' HB3' HG22 ' A' ' 27' ' ' THR . 69.4 m -56.73 132.51 52.29 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.687 179.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.7 -44.1 1.5 Allowed Glycine 0 C--N 1.285 -2.254 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -175.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.3 mt -82.02 -41.93 18.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.9 m -152.44 147.61 26.47 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.49 166.25 14.87 Favored Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.044 -1.074 . . . . 0.0 113.01 176.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.5 p -95.88 144.98 25.75 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m 60.72 30.0 19.4 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.828 0.823 . . . . 0.0 108.868 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -74.15 -16.87 60.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.103 -1.408 . . . . 0.0 112.134 -171.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.8 p -66.9 -60.54 2.56 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-N 114.89 -1.05 . . . . 0.0 113.185 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 mp -108.07 -51.63 2.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.671 0.748 . . . . 0.0 111.712 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p -103.04 53.2 0.77 Allowed 'General case' 0 C--N 1.292 -1.913 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.315 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 16' ' ' CYS . 3.7 m -49.39 -66.04 0.46 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.349 1.06 . . . . 0.0 112.111 -174.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 56.5 m -90.29 -4.99 56.8 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 174.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -93.98 -4.05 50.38 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -171.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -89.98 162.89 15.17 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.427 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.6 m -70.64 -0.56 8.95 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -174.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.536 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 3.2 mmp_? -103.7 4.06 34.95 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.415 -0.803 . . . . 0.0 111.072 177.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.1 t -88.88 120.02 69.97 Favored Pre-proline 0 C--O 1.244 0.808 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 174.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.93 -36.7 97.98 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 123.475 2.783 . . . . 0.0 112.976 -175.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 68.1 m -68.12 -57.31 6.28 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.134 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -52.41 -51.94 56.4 Favored 'General case' 0 C--N 1.312 -1.049 0 O-C-N 124.588 1.18 . . . . 0.0 112.155 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -66.83 -31.61 72.33 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 123.592 0.558 . . . . 0.0 109.876 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 t -89.56 6.39 41.32 Favored 'General case' 0 CA--C 1.554 1.1 0 O-C-N 122.176 -0.328 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 69.23 23.43 6.32 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.716 0.807 . . . . 0.0 113.014 176.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -103.5 152.99 21.03 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.771 0.32 . . . . 0.0 111.703 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 p -84.52 154.01 22.94 Favored 'General case' 0 C--O 1.253 1.241 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.706 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 49.3 m -92.99 14.17 18.49 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.25 111.1 4.95 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 173.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.96 10.67 25.92 Favored Glycine 0 C--N 1.309 -0.952 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.159 -176.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.432 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 77.7 m -98.7 177.29 5.35 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 175.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -107.85 23.27 14.73 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 18.6 p -78.64 140.25 38.43 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.528 -179.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.6 t -117.67 121.07 66.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.408 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.86 37.76 43.56 Favored Glycine 0 CA--C 1.498 -0.982 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.567 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 2.7 t -68.64 109.91 4.01 Favored 'General case' 0 N--CA 1.426 -1.666 0 CA-C-N 114.177 -1.012 . . . . 0.0 111.815 -178.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -101.05 93.49 5.52 Favored 'General case' 0 N--CA 1.422 -1.845 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 170.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -111.77 116.21 50.25 Favored Pre-proline 0 C--N 1.298 -1.649 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -66.68 -12.83 37.49 Favored 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 122.482 2.121 . . . . 0.0 112.545 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -79.21 94.98 5.51 Favored 'General case' 0 CA--C 1.485 -1.524 0 CA-C-O 121.849 0.833 . . . . 0.0 112.833 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -140.39 67.34 1.37 Allowed 'General case' 0 N--CA 1.405 -2.703 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -69.01 131.0 44.36 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 173.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -90.52 81.94 5.9 Favored 'General case' 0 C--N 1.289 -2.042 0 C-N-CA 118.131 -1.428 . . . . 0.0 111.839 -173.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -104.38 134.18 48.01 Favored 'General case' 0 C--N 1.266 -3.038 0 CA-C-N 113.459 -1.7 . . . . 0.0 107.383 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.287 -2.152 0 CA-C-O 118.512 -0.756 . . . . 0.0 109.065 -176.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -74.09 114.92 4.15 Favored 'Trans proline' 0 C--O 1.241 0.659 0 C-N-CA 122.526 2.15 . . . . 0.0 111.168 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -88.63 158.27 6.38 Favored 'Trans proline' 0 N--CA 1.428 -2.377 0 C-N-CA 121.998 1.799 . . . . 0.0 110.872 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -79.01 134.32 60.06 Favored Pre-proline 0 C--N 1.298 -1.672 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 171.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -48.64 132.21 25.21 Favored 'Trans proline' 0 CA--C 1.502 -1.091 0 C-N-CA 123.552 2.834 . . . . 0.0 113.652 -174.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -132.77 152.63 51.73 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.331 -176.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.6 p -133.88 175.31 9.57 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.103 0.478 . . . . 0.0 110.893 -174.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.508 ' HB2' HD12 ' A' ' 18' ' ' ILE . 34.2 ptt180 -137.12 37.4 2.55 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.112 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 61.8 m -61.0 146.89 45.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.139 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.95 -19.16 55.41 Favored Glycine 0 C--N 1.304 -1.233 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.507 178.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.508 HD12 ' HB2' ' A' ' 15' ' ' ARG . 33.7 mt -79.44 -50.55 17.96 Favored 'Isoleucine or valine' 0 C--O 1.246 0.91 0 N-CA-C 111.546 0.202 . . . . 0.0 111.546 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -128.93 77.78 1.81 Allowed 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 120.847 0.356 . . . . 0.0 111.624 -175.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.96 -64.24 2.35 Favored Glycine 0 C--O 1.251 1.174 0 CA-C-N 115.696 -0.684 . . . . 0.0 114.496 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 m 67.76 179.02 0.23 Allowed 'General case' 0 C--O 1.245 0.829 0 C-N-CA 124.874 1.27 . . . . 0.0 110.831 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -72.45 -38.14 68.37 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.555 0.693 . . . . 0.0 109.698 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -149.79 128.39 12.34 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 105.212 -2.144 . . . . 0.0 105.212 175.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.7 m -75.63 -26.46 57.8 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 120.895 0.379 . . . . 0.0 111.809 -176.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 mp -85.52 -44.24 12.86 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.506 0.67 . . . . 0.0 109.41 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.3 m -107.09 45.59 0.98 Allowed 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.414 -1.266 . . . . 0.0 108.34 -172.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 p -52.15 -65.99 0.46 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.32 -1.309 . . . . 0.0 113.395 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.454 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 71.9 m -89.33 -4.7 58.0 Favored 'General case' 0 C--N 1.281 -2.383 0 CA-C-N 114.244 -1.344 . . . . 0.0 113.817 -176.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -96.72 -5.37 38.85 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.078 0.466 . . . . 0.0 111.646 -175.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -102.21 159.29 15.53 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.203 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.3 m -67.67 -6.96 23.09 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -173.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -89.04 -6.08 57.43 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 121.434 -0.791 . . . . 0.0 110.873 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' SG ' ' HA ' ' A' ' 28' ' ' CYS . 53.7 t -83.46 124.96 75.11 Favored Pre-proline 0 N--CA 1.441 -0.921 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 175.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -57.84 -34.69 98.62 Favored 'Trans proline' 0 C--O 1.208 -1.015 0 C-N-CA 123.057 2.505 . . . . 0.0 112.307 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 79.6 m -64.8 -55.18 21.23 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 65.7 t80 -57.67 -49.2 77.29 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.136 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -70.83 -28.62 64.74 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.396 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -102.31 21.95 14.17 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.82 -0.55 . . . . 0.0 112.253 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 62.07 31.66 17.8 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 169.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -119.29 152.89 35.94 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -80.4 176.24 9.95 Favored 'General case' 0 N--CA 1.409 -2.488 0 CA-C-N 114.75 -1.113 . . . . 0.0 109.834 175.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.409 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 67.4 m -107.47 19.57 20.07 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -176.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.63 107.82 1.86 Allowed 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 172.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.59 14.0 22.77 Favored Glycine 0 N--CA 1.433 -1.514 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.562 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 75.2 m -99.8 172.71 7.08 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 117.231 0.516 . . . . 0.0 111.472 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -106.26 13.95 28.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.486 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 17.9 p -77.59 135.91 38.21 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.387 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.0 t -120.48 130.65 74.22 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.42 28.48 32.94 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 -176.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.445 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 2.9 t -75.87 113.73 13.69 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.858 1.263 . . . . 0.0 113.105 -175.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -106.46 94.18 5.0 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 104.624 -2.361 . . . . 0.0 104.624 168.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -110.78 111.81 56.48 Favored Pre-proline 0 C--N 1.287 -2.123 0 C-N-CA 119.126 -1.03 . . . . 0.0 108.849 175.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -65.41 -10.27 25.46 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.756 2.304 . . . . 0.0 112.279 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -90.2 95.86 10.4 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 176.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -75.29 144.04 42.66 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.508 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 2.0 pm0 -70.49 116.43 10.81 Favored 'General case' 0 C--N 1.28 -2.44 0 CA-C-O 121.482 0.658 . . . . 0.0 110.408 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -69.98 -26.24 63.99 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.095 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -94.63 103.36 15.29 Favored 'General case' 0 C--N 1.284 -2.259 0 CA-C-N 114.546 -1.206 . . . . 0.0 108.656 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.291 -1.977 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.922 177.714 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.1 t . . . . . 0 N--CA 1.433 -1.279 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.14 146.31 86.52 Favored 'Trans proline' 0 C--O 1.252 1.181 0 C-N-CA 121.967 1.778 . . . . 0.0 110.165 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -48.93 127.48 17.08 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.134 2.556 . . . . 0.0 112.251 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.28 163.51 67.81 Favored Pre-proline 0 C--N 1.306 -1.3 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.565 ' HB2' ' HB2' ' A' ' 34' ' ' PRO . 4.0 Cg_exo -71.16 126.8 12.75 Favored 'Trans proline' 0 N--CA 1.43 -2.262 0 C-N-CA 120.645 0.897 . . . . 0.0 110.249 175.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -111.62 116.4 30.74 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.296 -174.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 25.5 p -79.21 157.01 27.91 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.383 -1.281 . . . . 0.0 112.49 -172.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -125.97 27.9 6.24 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.669 -1.15 . . . . 0.0 108.445 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 38.8 m -55.56 126.69 26.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.117 -1.402 . . . . 0.0 111.418 -177.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.82 -43.44 1.7 Allowed Glycine 0 C--N 1.296 -1.646 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.7 mt -84.75 -43.3 17.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 174.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -106.61 139.92 40.3 Favored 'General case' 0 N--CA 1.414 -2.257 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 175.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.02 168.29 48.73 Favored Glycine 0 C--O 1.247 0.934 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.365 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' A' ' 32' ' ' ARG . 3.1 t -155.92 -53.74 0.09 Allowed 'General case' 0 C--O 1.249 1.07 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.3 p -146.47 -74.14 0.22 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.721 0.772 . . . . 0.0 109.13 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -142.92 161.15 38.88 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.3 m -69.6 -31.59 69.82 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 121.4 0.619 . . . . 0.0 109.653 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.76 -26.93 66.36 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.417 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.9 p -121.97 36.32 4.65 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -176.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.7 -64.08 0.86 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.782 0.833 . . . . 0.0 113.154 -178.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.523 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 93.8 m -89.71 -4.79 57.55 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 176.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -98.91 29.94 3.59 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.64 0.733 . . . . 0.0 111.082 -171.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -132.29 161.96 32.19 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.2 m -69.01 -5.07 19.48 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -174.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' HB2' ' OG ' ' A' ' 21' ' ' SER . 79.6 mtp180 -96.52 0.69 50.55 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.352 0.596 . . . . 0.0 110.013 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.1 t -92.32 122.59 64.38 Favored Pre-proline 0 N--CA 1.43 -1.453 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.649 ' O ' ' HB2' ' A' ' 38' ' ' SER . 16.2 Cg_endo -62.92 -9.78 17.91 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.383 2.722 . . . . 0.0 113.048 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 87.8 m -88.85 -50.35 6.27 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.024 175.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.523 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 59.9 t80 -63.16 -57.34 10.86 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.359 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 8.8 tmtm? -80.9 -37.92 28.88 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.92 -171.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.649 ' HB2' ' O ' ' A' ' 34' ' ' PRO . 19.2 m -87.07 1.31 53.35 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.159 0.504 . . . . 0.0 111.297 -177.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 62.27 63.89 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.356 1.062 . . . . 0.0 113.075 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.415 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 58.0 m-80 -128.77 160.19 33.34 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.583 174.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 p -101.87 156.02 17.78 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 177.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.497 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 80.2 m -83.2 68.11 9.47 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.737 0.78 . . . . 0.0 111.589 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.5 96.28 7.03 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.165 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.21 10.83 59.2 Favored Glycine 0 C--N 1.31 -0.902 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.822 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 79.3 m -76.82 152.17 35.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -105.29 27.14 8.57 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 121.547 0.689 . . . . 0.0 111.317 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 p -76.04 146.32 39.53 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.222 174.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.6 t -104.82 116.74 49.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.498 -174.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.82 37.76 94.18 Favored Glycine 0 C--O 1.243 0.699 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.951 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 16.4 p -64.97 139.63 58.78 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.317 0.58 . . . . 0.0 111.598 -173.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -106.84 94.99 5.41 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 172.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -110.0 117.49 51.81 Favored Pre-proline 0 C--N 1.296 -1.726 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 177.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.28 -36.52 78.47 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.931 2.421 . . . . 0.0 112.828 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -114.94 101.18 8.78 Favored 'General case' 0 N--CA 1.42 -1.934 0 CA-C-O 122.143 0.973 . . . . 0.0 112.571 -177.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -167.39 -178.37 3.99 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 114.067 -1.424 . . . . 0.0 107.762 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -87.09 102.03 14.04 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.708 0.766 . . . . 0.0 110.948 -176.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -85.23 128.68 34.77 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.738 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -94.42 110.91 22.65 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-O 122.086 0.946 . . . . 0.0 111.775 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.416 -2.143 0 CA-C-N 113.608 -1.633 . . . . 0.0 108.198 -179.773 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.2 p . . . . . 0 N--CA 1.439 -1.004 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 59.1 Cg_endo -80.52 130.11 7.75 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.128 1.885 . . . . 0.0 110.732 175.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 9' ' ' PRO . 16.6 Cg_exo -65.83 127.11 17.16 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.455 2.103 . . . . 0.0 112.078 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -112.61 132.33 22.27 Favored Pre-proline 0 C--N 1.299 -1.589 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -67.65 132.05 25.98 Favored 'Trans proline' 0 N--CA 1.442 -1.504 0 C-N-CA 121.48 1.453 . . . . 0.0 109.54 173.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -102.24 110.34 22.27 Favored 'General case' 0 C--N 1.278 -2.539 0 CA-C-O 122.143 0.973 . . . . 0.0 110.894 -173.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.69 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 11.5 p -85.19 139.92 31.3 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-N 114.356 -1.293 . . . . 0.0 111.482 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -113.7 38.4 2.96 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -175.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.69 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 50.2 m -63.11 153.37 34.4 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 113.157 -1.838 . . . . 0.0 110.988 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . 92.44 -36.48 3.67 Favored Glycine 0 CA--C 1.496 -1.156 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.614 176.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.9 mt -76.83 -25.22 15.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.6 t -139.55 122.01 16.15 Favored 'General case' 0 N--CA 1.406 -2.64 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 177.78 121.4 0.69 Allowed Glycine 0 N--CA 1.432 -1.573 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.3 m -77.44 95.69 4.52 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 t 71.35 -38.61 0.43 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 125.208 1.403 . . . . 0.0 113.968 173.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -75.23 93.77 2.89 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.376 0.608 . . . . 0.0 109.536 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.7 t -110.87 1.96 17.93 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 114.794 -1.093 . . . . 0.0 109.499 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.58 ' H ' HD23 ' A' ' 25' ' ' LEU . 2.3 pt? -105.52 -29.21 10.32 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.236 -175.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m -125.47 25.58 7.01 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.2 OUTLIER -46.36 -64.15 0.83 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.055 1.742 . . . . 0.0 112.257 -176.899 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 60.0 m -86.67 -3.6 59.06 Favored 'General case' 0 C--O 1.205 -1.273 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 178.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 77.6 ttt180 -102.6 16.58 26.0 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 121.676 0.751 . . . . 0.0 111.182 -176.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -128.82 165.27 21.32 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.683 -1.26 . . . . 0.0 110.929 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 m -64.28 -11.37 31.08 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -173.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.2 mtt85 -80.3 -12.13 59.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 50.3 t -90.04 116.47 66.44 Favored Pre-proline 0 N--CA 1.436 -1.146 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.74 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.17 -12.23 31.73 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.116 2.544 . . . . 0.0 112.325 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.425 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 11.1 t -85.55 -46.48 10.79 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.506 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 78.9 t80 -66.79 -47.3 72.54 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.916 -178.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -73.58 -11.62 60.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.28 0.562 . . . . 0.0 110.551 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -99.32 4.72 46.54 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 61.65 27.22 16.7 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 125.498 1.519 . . . . 0.0 111.31 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -96.44 155.74 16.64 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.23 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 p -89.87 152.79 21.08 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.062 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.523 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 80.5 m -85.1 73.76 10.6 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 122.163 0.983 . . . . 0.0 110.901 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.47 107.78 18.97 Favored 'General case' 0 C--N 1.275 -2.636 0 CA-C-N 113.75 -1.568 . . . . 0.0 108.543 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.02 2.75 68.61 Favored Glycine 0 C--N 1.31 -0.889 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.819 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 65.7 m -78.58 150.38 32.78 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -103.0 27.86 6.75 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.747 0.784 . . . . 0.0 110.204 -178.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 14.3 p -76.14 139.32 41.24 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.818 -1.083 . . . . 0.0 112.67 -177.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.479 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 43.2 t -115.0 141.15 32.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 178.135 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.7 48.21 63.31 Favored Glycine 0 C--O 1.238 0.4 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.4 t -100.21 125.03 46.32 Favored 'General case' 0 N--CA 1.411 -2.389 0 CA-C-N 114.902 -0.649 . . . . 0.0 111.442 -174.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 95.3 mttt -124.39 94.9 4.34 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 169.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -109.18 112.08 59.81 Favored Pre-proline 0 C--N 1.299 -1.599 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.53 -25.99 54.84 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.417 2.078 . . . . 0.0 111.472 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -79.13 132.34 36.53 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.182 0.515 . . . . 0.0 110.173 -176.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' H ' ' HB2' ' A' ' 58' ' ' TYR . 47.8 mmtm -122.06 -164.93 1.2 Allowed 'General case' 0 C--N 1.285 -2.227 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 178.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -74.33 98.62 3.28 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 175.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.3 t70 68.54 115.2 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.516 1.526 . . . . 0.0 109.744 -171.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.436 ' HB2' ' H ' ' A' ' 55' ' ' LYS . 69.1 t80 -140.12 110.21 6.52 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.141 -173.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 C--N 1.31 -1.114 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 173.872 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.434 -1.25 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 11.8 Cg_exo -72.01 142.28 38.22 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.143 1.895 . . . . 0.0 110.341 178.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 9' ' ' PRO . 4.4 Cg_exo -78.23 146.78 22.72 Favored 'Trans proline' 0 C--O 1.248 1.007 0 C-N-CA 122.123 1.882 . . . . 0.0 110.889 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -86.99 150.24 49.53 Favored Pre-proline 0 C--N 1.299 -1.61 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -61.9 150.77 84.85 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.204 1.936 . . . . 0.0 111.48 176.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -135.92 152.95 51.52 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.001 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.0 p -141.31 160.99 38.97 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-O 121.063 0.459 . . . . 0.0 111.0 -172.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -123.28 34.82 5.01 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.8 m -54.49 142.94 25.64 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.547 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.66 -37.02 3.58 Favored Glycine 0 C--N 1.298 -1.551 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.9 mt -86.62 -47.33 16.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 p -72.16 -39.66 68.57 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.776 -178.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.18 151.38 23.54 Favored Glycine 0 N--CA 1.43 -1.744 0 C-N-CA 120.472 -0.871 . . . . 0.0 111.431 -178.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.9 m -122.1 19.37 10.77 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 123.215 0.606 . . . . 0.0 109.853 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.3 m -64.81 -35.77 82.17 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 122.017 0.913 . . . . 0.0 108.576 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.435 ' O ' HG23 ' A' ' 27' ' ' THR . 44.4 m-80 -110.9 118.61 36.58 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.9 p -100.41 -41.96 6.81 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.108 0.48 . . . . 0.0 111.078 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.2 tt -100.62 -39.22 7.99 Favored 'General case' 0 N--CA 1.412 -2.336 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.442 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 9.4 p -88.01 23.09 2.17 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.713 -178.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -51.11 -66.49 0.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.428 1.491 . . . . 0.0 111.499 -175.119 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 94.6 m -90.53 -4.24 57.05 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.912 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 33.8 ttt180 -95.72 -2.45 47.86 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.951 -171.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -103.56 161.5 13.84 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.644 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -64.78 -8.67 15.91 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -174.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 35.3 mmt180 -93.89 3.95 54.63 Favored 'General case' 0 C--O 1.244 0.806 0 O-C-N 121.957 -0.464 . . . . 0.0 111.498 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.6 t -90.0 119.77 69.33 Favored Pre-proline 0 N--CA 1.427 -1.581 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 171.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.03 -23.97 78.56 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 C-N-CA 122.778 2.319 . . . . 0.0 112.754 -173.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 80.8 m -75.02 -58.39 3.31 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -49.24 -55.33 12.95 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 124.957 1.303 . . . . 0.0 112.912 -176.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -72.92 -16.38 61.55 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.442 -174.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.2 m -103.81 15.62 28.29 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 70.22 21.96 5.68 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.237 1.015 . . . . 0.0 113.229 175.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -111.41 152.53 27.25 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.628 ' HB2' ' OE2' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -90.99 178.07 6.11 Favored 'General case' 0 N--CA 1.396 -3.169 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.834 178.268 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 96.4 m -111.42 19.11 18.54 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -173.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.22 116.26 12.44 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.39 -0.924 . . . . 0.0 108.71 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.03 -10.4 34.13 Favored Glycine 0 C--N 1.308 -0.989 0 C-N-CA 121.463 -0.399 . . . . 0.0 112.502 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.9 m -78.88 179.46 7.25 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -116.69 18.64 14.86 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-O 121.415 0.626 . . . . 0.0 109.996 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.4 p -67.78 140.66 56.67 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.885 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -116.1 130.47 70.78 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.203 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.54 42.91 31.69 Favored Glycine 0 CA--C 1.492 -1.368 0 N-CA-C 109.156 -1.578 . . . . 0.0 109.156 -175.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.3 t -82.69 109.31 16.75 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -174.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -105.79 93.92 4.9 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 166.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.579 ' OD1' ' HA ' ' A' ' 41' ' ' SER . 26.1 t-20 -111.05 115.38 52.92 Favored Pre-proline 0 C--N 1.29 -1.999 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 176.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 52' ' ' ASN . 35.8 Cg_exo -65.86 -6.81 15.02 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.149 2.566 . . . . 0.0 114.526 -178.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -94.92 135.73 36.08 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.43 0.633 . . . . 0.0 110.656 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -95.06 154.66 17.07 Favored 'General case' 0 C--N 1.284 -2.279 0 N-CA-C 105.05 -2.204 . . . . 0.0 105.05 174.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.628 ' OE2' ' HB2' ' A' ' 41' ' ' SER . 57.2 mm-40 -61.71 109.95 1.37 Allowed 'General case' 0 C--O 1.242 0.703 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 174.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.74 80.02 0.44 Allowed 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 122.114 0.959 . . . . 0.0 112.434 -171.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -148.16 84.31 1.51 Allowed 'General case' 0 C--N 1.263 -3.183 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 174.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 C--N 1.298 -1.66 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.322 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.244 0.799 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -78.51 133.14 11.54 Favored 'Trans proline' 0 N--CA 1.444 -1.43 0 C-N-CA 121.779 1.652 . . . . 0.0 109.82 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -64.57 126.54 17.02 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 121.491 1.461 . . . . 0.0 109.899 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -104.37 154.23 38.49 Favored Pre-proline 0 C--N 1.295 -1.79 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.976 -176.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.92 146.35 87.08 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.838 2.359 . . . . 0.0 112.025 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 51.6 pttt -123.19 147.49 46.81 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.23 164.79 26.59 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.019 -172.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.72 26.11 9.93 Favored 'General case' 0 C--O 1.249 1.041 0 C-N-CA 124.126 0.97 . . . . 0.0 108.878 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' HB3' HG22 ' A' ' 27' ' ' THR . 70.8 m -55.14 134.71 49.6 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.03 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . 104.46 -37.47 3.76 Favored Glycine 0 C--N 1.299 -1.481 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.9 mt -84.74 -53.01 11.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.4 m -137.48 106.73 6.05 Favored 'General case' 0 N--CA 1.423 -1.816 0 CA-C-N 114.143 -1.39 . . . . 0.0 108.142 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.25 64.78 0.01 OUTLIER Glycine 0 N--CA 1.428 -1.853 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.7 p -75.28 99.87 4.2 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-O 121.297 0.57 . . . . 0.0 110.639 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.9 m -144.06 37.47 1.28 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 73.85 135.35 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.6 1.56 . . . . 0.0 111.621 -176.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 m -70.09 -11.4 60.86 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-O 121.779 0.799 . . . . 0.0 111.275 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -83.76 -19.42 35.13 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.157 0.504 . . . . 0.0 110.232 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.621 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 1.4 p -133.94 22.4 3.86 Favored 'General case' 0 N--CA 1.428 -1.544 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -175.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.486 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.2 OUTLIER -53.84 -65.16 0.62 Allowed 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 123.631 0.773 . . . . 0.0 111.689 -176.058 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 95.6 m -89.02 -3.9 58.56 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 177.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.621 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 62.4 ttt180 -99.54 8.81 44.17 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.386 -173.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -115.96 171.1 7.99 Favored 'General case' 0 C--N 1.31 -1.125 0 O-C-N 121.379 -0.826 . . . . 0.0 109.342 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -70.53 -7.03 40.64 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -172.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -87.29 -11.61 49.05 Favored 'General case' 0 CA--C 1.505 -0.777 0 O-C-N 121.909 -0.494 . . . . 0.0 110.375 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.4 t -86.88 114.92 60.55 Favored Pre-proline 0 N--CA 1.417 -2.098 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 176.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.08 -25.26 77.23 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.311 2.674 . . . . 0.0 111.992 -175.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.8 m -70.83 -58.89 3.16 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.408 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.515 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 83.5 t80 -56.28 -45.11 80.3 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.947 0.899 . . . . 0.0 111.797 -178.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -74.13 -10.2 59.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.705 0.764 . . . . 0.0 110.462 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 t -106.01 3.64 28.5 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 176.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 64.82 22.45 12.53 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.102 0.961 . . . . 0.0 111.889 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -103.28 160.8 14.36 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.403 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 p -86.0 176.05 8.25 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.628 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 95.6 m -103.76 70.44 1.01 Allowed 'General case' 0 N--CA 1.418 -2.026 0 CA-C-O 121.578 0.704 . . . . 0.0 110.959 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.64 105.28 15.07 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.628 175.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.44 13.83 23.46 Favored Glycine 0 N--CA 1.437 -1.252 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.119 -177.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 83.8 m -95.58 169.22 10.19 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-O 121.309 0.576 . . . . 0.0 109.96 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -117.56 25.51 10.36 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.4 p -75.3 145.26 41.96 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.451 -1.25 . . . . 0.0 112.256 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.471 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 87.4 t -119.28 135.22 60.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 C-N-CA 125.178 1.391 . . . . 0.0 107.622 -179.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.41 40.69 91.46 Favored Glycine 0 C--O 1.245 0.794 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -178.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.6 t -76.86 109.76 10.92 Favored 'General case' 0 N--CA 1.413 -2.307 0 CA-C-N 114.213 -0.993 . . . . 0.0 111.626 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 34.4 mmtp -108.36 93.24 4.42 Favored 'General case' 0 N--CA 1.413 -2.29 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 168.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -112.7 118.87 44.32 Favored Pre-proline 0 C--N 1.286 -2.191 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 175.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.18 -25.73 79.15 Favored 'Trans proline' 0 C--O 1.242 0.703 0 C-N-CA 122.366 2.044 . . . . 0.0 111.499 174.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -84.55 149.6 25.79 Favored 'General case' 0 N--CA 1.435 -1.2 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.934 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -156.02 176.28 12.85 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.7 -171.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -81.92 85.03 6.75 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -143.45 123.14 13.33 Favored 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 -177.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -63.72 118.01 7.68 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 123.635 0.585 . . . . 0.0 111.171 -176.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.313 -1.017 0 CA-C-O 118.282 -0.866 . . . . 0.0 112.349 -178.629 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.435 -1.218 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -70.0 140.27 41.37 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.601 2.201 . . . . 0.0 111.112 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -70.79 155.99 61.52 Favored 'Trans proline' 0 C--O 1.251 1.144 0 C-N-CA 122.116 1.877 . . . . 0.0 111.764 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -125.24 168.52 13.36 Favored Pre-proline 0 C--N 1.305 -1.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.744 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.91 150.97 43.44 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.695 2.263 . . . . 0.0 113.384 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -132.58 150.86 52.09 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 115.203 -0.908 . . . . 0.0 108.694 179.666 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.2 p -144.62 167.44 22.53 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 -125.43 24.85 7.21 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -176.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m -57.22 107.75 0.45 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.55 -1.204 . . . . 0.0 110.277 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . 130.56 -29.11 3.66 Favored Glycine 0 C--N 1.297 -1.626 0 C-N-CA 119.76 -1.21 . . . . 0.0 112.557 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.0 mm -62.74 -43.03 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 175.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.8 t -124.59 86.58 2.58 Favored 'General case' 0 N--CA 1.405 -2.682 0 N-CA-C 104.567 -2.383 . . . . 0.0 104.567 169.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.55 39.27 1.3 Allowed Glycine 0 N--CA 1.426 -1.988 0 C-N-CA 120.027 -1.082 . . . . 0.0 112.487 -174.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -80.38 -33.27 37.28 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 173.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.7 m -86.83 111.27 20.6 Favored 'General case' 0 N--CA 1.418 -2.029 0 N-CA-C 104.679 -2.341 . . . . 0.0 104.679 167.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.516 ' O ' HG23 ' A' ' 27' ' ' THR . 93.3 m-20 74.03 84.03 0.11 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.044 0.938 . . . . 0.0 110.481 -173.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.7 m -105.1 -19.28 13.87 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-O 121.504 0.668 . . . . 0.0 110.369 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mp -106.63 -37.61 6.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.503 0.668 . . . . 0.0 109.395 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -97.62 29.67 3.23 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -56.17 -66.04 0.5 Allowed 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 124.742 1.217 . . . . 0.0 110.543 -178.412 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.6 m -90.4 -5.56 56.01 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.044 -0.98 . . . . 0.0 113.543 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -96.33 -1.68 47.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.25 0.547 . . . . 0.0 112.422 -174.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -87.34 160.21 18.47 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.009 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -71.82 -2.36 17.45 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -99.72 3.73 45.13 Favored 'General case' 0 N--CA 1.438 -1.026 0 O-C-N 121.981 -0.449 . . . . 0.0 110.545 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.2 t -85.92 118.34 70.33 Favored Pre-proline 0 N--CA 1.435 -1.192 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 173.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.82 -33.19 94.0 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.804 2.336 . . . . 0.0 112.659 -174.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.9 m -68.76 -54.09 18.05 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.602 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -53.52 -51.47 62.75 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 124.414 1.086 . . . . 0.0 111.765 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -26.59 63.37 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.854 0.359 . . . . 0.0 111.211 -177.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.8 t -84.99 -3.49 58.79 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 68.48 21.09 8.29 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.675 1.19 . . . . 0.0 111.265 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -97.6 166.26 11.59 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.127 -178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 p -90.51 165.46 13.78 Favored 'General case' 0 N--CA 1.418 -2.062 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.868 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 96.7 m -95.02 69.56 3.25 Favored 'General case' 0 N--CA 1.429 -1.52 0 CA-C-O 122.057 0.932 . . . . 0.0 110.764 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.61 113.35 25.91 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 113.888 -1.505 . . . . 0.0 108.01 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.02 14.17 40.41 Favored Glycine 0 N--CA 1.435 -1.416 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 71.6 m -95.42 168.63 10.59 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-O 121.119 0.485 . . . . 0.0 110.744 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -119.76 26.13 9.54 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.0 p -80.71 143.68 32.8 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.567 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.484 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 60.7 t -130.44 116.97 37.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -175.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.57 39.3 6.74 Favored Glycine 0 C--N 1.303 -1.285 0 N-CA-C 108.526 -1.83 . . . . 0.0 108.526 -173.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.6 t -81.59 109.85 16.42 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 114.222 -0.989 . . . . 0.0 112.765 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -109.24 92.61 4.12 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 168.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -113.04 112.71 49.84 Favored Pre-proline 0 C--N 1.306 -1.313 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.686 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.22 -13.58 33.68 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.245 1.963 . . . . 0.0 111.683 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -85.05 105.31 15.7 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-O 121.916 0.865 . . . . 0.0 110.908 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -98.4 162.65 13.05 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 106.32 -1.734 . . . . 0.0 106.32 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -83.18 84.45 7.48 Favored 'General case' 0 N--CA 1.426 -1.641 0 C-N-CA 117.921 -1.511 . . . . 0.0 109.604 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -103.44 -17.66 15.14 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 112.441 -2.163 . . . . 0.0 108.156 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -84.56 102.59 12.99 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.617 -1.629 . . . . 0.0 109.942 -174.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.301 -1.531 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.901 179.797 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo . . . . . 0 N--CA 1.443 -1.448 0 N-CA-C 109.786 -0.89 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -124.54 144.41 50.14 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.9 p -135.54 166.44 23.19 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.972 -175.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -126.17 32.16 5.28 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.2 m -56.67 106.61 0.31 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.89 0.744 . . . . 0.0 110.844 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.595 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 -178.816 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.456 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 22.6 p . . . . . 0 N--CA 1.433 -1.297 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 m -57.87 -65.45 0.64 Allowed 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.888 0.375 . . . . 0.0 110.545 -177.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 59.2 m -89.5 -5.25 57.47 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.456 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 46.2 ttp180 -94.01 3.82 54.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.969 0.414 . . . . 0.0 111.411 -174.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -104.52 167.25 9.86 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.864 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.5 m -73.44 -1.52 18.7 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -173.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -82.48 -4.35 57.35 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.4 t -97.22 113.26 62.9 Favored Pre-proline 0 N--CA 1.437 -1.103 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -59.11 -35.46 97.95 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.102 2.535 . . . . 0.0 112.599 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.3 m -60.43 -55.35 34.64 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 123.36 0.664 . . . . 0.0 110.287 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -52.03 -54.83 25.28 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.045 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -64.4 -34.62 78.6 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.017 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.4 m -97.13 19.72 12.5 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 60.77 39.11 17.64 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -128.66 150.68 50.13 Favored 'General case' 0 CA--C 1.491 -1.323 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 p -79.29 162.21 25.78 Favored 'General case' 0 N--CA 1.417 -2.08 0 CA-C-N 113.563 -1.653 . . . . 0.0 110.662 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 88.3 m -90.06 75.71 7.07 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-O 122.36 1.076 . . . . 0.0 110.765 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.18 102.26 11.76 Favored 'General case' 0 C--N 1.286 -2.177 0 CA-C-N 113.877 -1.51 . . . . 0.0 110.089 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.74 14.28 27.62 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.129 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.1 m -94.18 171.31 8.92 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 120.997 0.427 . . . . 0.0 110.642 -176.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -119.77 44.69 2.33 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 174.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 12.1 p -88.7 140.85 29.03 Favored 'General case' 0 N--CA 1.423 -1.788 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.261 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.6 t -118.8 116.92 52.66 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.18 42.37 8.05 Favored Glycine 0 N--CA 1.428 -1.866 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -178.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.508 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 12.8 t -79.08 110.05 13.96 Favored 'General case' 0 N--CA 1.414 -2.272 0 CA-C-N 114.763 -0.718 . . . . 0.0 112.039 -176.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -112.47 93.72 4.57 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 105.152 -2.166 . . . . 0.0 105.152 166.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -110.27 116.98 52.38 Favored Pre-proline 0 C--N 1.296 -1.755 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -76.09 -8.11 18.59 Favored 'Trans proline' 0 C--O 1.239 0.527 0 C-N-CA 122.922 2.415 . . . . 0.0 112.76 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 . . . . . 0 CA--C 1.492 -1.252 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.343 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo . . . . . 0 C--O 1.234 0.287 0 N-CA-C 113.931 0.704 . . . . 0.0 113.931 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -126.55 152.81 46.07 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.5 p -138.51 169.31 18.02 Favored 'General case' 0 C--O 1.259 1.559 0 CA-C-O 121.022 0.439 . . . . 0.0 111.297 -175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -123.12 28.38 7.18 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.679 -1.146 . . . . 0.0 108.354 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.516 ' HB3' HG22 ' A' ' 27' ' ' THR . 86.3 m -52.98 134.05 37.99 Favored 'General case' 0 C--O 1.213 -0.863 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.865 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.789 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -176.724 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.512 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 0.3 OUTLIER . . . . . 0 CA--C 1.549 0.926 0 CA-C-O 121.265 0.555 . . . . 0.0 110.519 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.516 HG22 ' HB3' ' A' ' 16' ' ' CYS . 1.9 m -53.51 -62.84 1.39 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.025 1.73 . . . . 0.0 111.556 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -87.94 -4.58 58.81 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.338 0.589 . . . . 0.0 112.515 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.512 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 69.1 ttt180 -94.94 7.31 46.44 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.8 -175.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -119.12 168.68 10.62 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -74.55 -1.05 19.7 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -171.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -84.18 -12.44 54.89 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-O 121.525 0.679 . . . . 0.0 109.815 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.8 t -84.34 114.57 55.59 Favored Pre-proline 0 N--CA 1.434 -1.26 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 175.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.63 -27.09 84.11 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 123.073 2.515 . . . . 0.0 112.355 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.6 m -66.66 -61.69 1.84 Allowed 'General case' 0 CA--C 1.506 -0.738 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.378 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -53.41 -45.9 69.52 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.212 1.005 . . . . 0.0 110.77 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -66.79 -25.06 66.28 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.796 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.3 m -103.0 15.98 27.93 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.391 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 65.97 21.66 11.3 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.157 0.983 . . . . 0.0 112.091 176.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -103.74 163.06 12.57 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -177.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.3 p -91.27 170.21 10.18 Favored 'General case' 0 N--CA 1.418 -2.058 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.408 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 99.0 m -102.46 71.31 1.2 Allowed 'General case' 0 N--CA 1.418 -2.068 0 CA-C-O 121.817 0.818 . . . . 0.0 110.867 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.5 112.67 24.38 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 114.35 -1.295 . . . . 0.0 108.024 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.47 13.27 42.02 Favored Glycine 0 C--N 1.305 -1.172 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -175.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.9 m -96.31 165.47 12.19 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -120.54 27.09 8.76 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.1 p -69.88 144.07 52.61 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 113.774 -1.557 . . . . 0.0 112.075 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.96 127.33 71.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.09 47.25 11.48 Favored Glycine 0 CA--C 1.505 -0.544 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.1 t -91.34 110.07 21.36 Favored 'General case' 0 N--CA 1.409 -2.481 0 CA-C-O 121.279 0.561 . . . . 0.0 112.149 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 94.31 4.81 Favored 'General case' 0 N--CA 1.417 -2.104 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 167.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -107.5 117.78 54.98 Favored Pre-proline 0 C--N 1.289 -2.061 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.78 -21.95 71.83 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.214 2.609 . . . . 0.0 112.575 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 . . . . . 0 CA--C 1.501 -0.911 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.924 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo . . . . . 0 N--CA 1.449 -1.123 0 N-CA-C 108.665 -1.321 . . . . 0.0 108.665 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -109.49 133.08 53.52 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 p -120.72 161.11 21.99 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.694 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -126.53 34.1 4.87 Favored 'General case' 0 C--O 1.247 0.959 0 C-N-CA 124.059 0.943 . . . . 0.0 108.809 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.2 m -57.23 129.36 41.44 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.421 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.699 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.912 177.777 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.618 ' OG1' ' HA ' ' A' ' 50' ' ' CYS . 1.0 OUTLIER -46.04 -65.04 0.61 Allowed 'General case' 0 C--O 1.209 -1.073 0 C-N-CA 126.167 1.787 . . . . 0.0 113.84 -174.311 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.098 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 71.6 m -88.95 -4.16 58.52 Favored 'General case' 0 C--N 1.278 -2.54 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 49.2 ttt180 -108.1 28.79 7.92 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.797 0.808 . . . . 0.0 110.73 -175.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -127.83 167.63 16.29 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -63.72 -15.29 58.12 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -173.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -89.84 -0.93 57.85 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.65 -0.656 . . . . 0.0 111.773 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.0 t -91.99 118.82 68.41 Favored Pre-proline 0 C--O 1.243 0.724 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.582 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.71 -31.44 86.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 122.857 2.371 . . . . 0.0 112.447 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.8 m -64.61 -55.02 22.95 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 79.3 t80 -54.27 -52.24 62.04 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 124.498 1.119 . . . . 0.0 111.749 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -70.29 -26.52 63.84 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.461 -174.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 t -94.49 1.45 55.73 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.435 0.636 . . . . 0.0 109.396 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 64.27 33.27 11.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.612 1.165 . . . . 0.0 112.568 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -111.82 165.29 12.19 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.923 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -96.05 167.6 11.12 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 124.193 0.997 . . . . 0.0 113.127 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 91.2 m -94.69 75.87 3.71 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.542 -0.753 . . . . 0.0 112.213 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.58 109.38 21.02 Favored 'General case' 0 C--N 1.277 -2.574 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.463 172.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.46 12.87 56.67 Favored Glycine 0 C--O 1.24 0.513 0 C-N-CA 121.374 -0.441 . . . . 0.0 112.586 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.0 m -82.37 167.38 18.57 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 120.801 0.334 . . . . 0.0 111.054 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -114.28 11.71 17.46 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.5 p -72.91 142.98 47.88 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.823 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 t -111.22 124.48 68.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.474 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.55 54.68 35.12 Favored Glycine 0 CA--C 1.497 -1.062 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 1.098 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 11.3 p -89.1 131.68 35.14 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.785 -176.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 48.9 mmtm -106.2 95.12 5.55 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 171.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -109.72 119.82 46.7 Favored Pre-proline 0 C--N 1.294 -1.846 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -56.33 -31.03 83.34 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.998 2.466 . . . . 0.0 111.376 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 . . . . . 0 C--N 1.312 -1.044 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.319 -177.732 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo . . . . . 0 C--O 1.242 0.682 0 CA-C-O 120.786 0.244 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -112.46 119.68 39.06 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 121.439 0.637 . . . . 0.0 109.716 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -91.79 157.8 16.69 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.586 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.573 ' HD2' ' O ' ' A' ' 15' ' ' ARG . 3.0 tmm_? -124.96 41.13 3.59 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.584 ' HB3' HG22 ' A' ' 27' ' ' THR . 73.0 m -65.22 138.35 58.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 113.679 -1.6 . . . . 0.0 110.831 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.052 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 174.157 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 p . . . . . 0 CA--C 1.519 -0.237 0 CA-C-O 120.837 0.351 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.584 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -47.95 -64.82 0.69 Allowed 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 126.049 1.74 . . . . 0.0 113.583 -174.461 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.7 m -87.34 -4.84 59.06 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 24.9 ttt180 -91.63 -7.09 51.01 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.984 0.421 . . . . 0.0 111.715 -175.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -107.51 173.96 6.09 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.503 -177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -66.75 -4.47 9.14 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -173.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -88.46 -0.87 57.67 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.329 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.8 t -101.15 113.76 65.8 Favored Pre-proline 0 N--CA 1.415 -2.176 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -62.04 -23.95 76.18 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 122.86 2.373 . . . . 0.0 112.08 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.1 m -69.38 -61.23 1.87 Allowed 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.732 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -52.58 -48.67 66.08 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 123.772 0.829 . . . . 0.0 111.954 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -34.18 75.73 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.604 -175.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -97.55 18.58 15.12 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 69.93 17.01 7.58 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.648 1.179 . . . . 0.0 113.95 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -94.26 170.02 9.81 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 121.443 0.64 . . . . 0.0 112.027 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.0 p -101.58 165.22 11.35 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.074 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.635 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 65.9 m -106.06 14.69 27.46 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.48 109.23 7.79 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 173.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.13 11.86 24.99 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.151 -177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.635 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 75.2 m -97.4 -175.35 3.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.218 0.532 . . . . 0.0 110.876 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -118.45 36.57 4.34 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.522 ' SG ' ' HB3' ' A' ' 42' ' ' CYS . 7.5 p -93.41 130.51 39.19 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.443 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.6 t -113.51 123.89 69.61 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.185 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.56 36.68 10.31 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 108.986 -1.646 . . . . 0.0 108.986 -176.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.4 t -79.56 110.07 14.53 Favored 'General case' 0 N--CA 1.401 -2.924 0 CA-C-N 114.557 -0.822 . . . . 0.0 110.494 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 74.7 mmtt -114.75 93.06 4.16 Favored 'General case' 0 N--CA 1.409 -2.497 0 N-CA-C 104.143 -2.54 . . . . 0.0 104.143 168.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -111.21 114.73 53.22 Favored Pre-proline 0 C--N 1.291 -1.945 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -59.01 -5.08 2.45 Favored 'Trans proline' 0 CA--C 1.547 1.14 0 C-N-CA 124.278 3.319 . . . . 0.0 114.701 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 . . . . . 0 CA--C 1.486 -1.488 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 173.738 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo . . . . . 0 N--CA 1.439 -1.723 0 N-CA-C 109.031 -1.18 . . . . 0.0 109.031 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -108.12 112.07 24.42 Favored 'General case' 0 C--N 1.274 -2.696 0 CA-C-O 121.63 0.729 . . . . 0.0 109.733 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 p -81.09 145.08 31.27 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.777 -174.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -108.91 34.75 3.53 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.78 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.564 ' HB3' HG22 ' A' ' 27' ' ' THR . 99.6 m -54.13 144.4 19.83 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 114.259 -1.337 . . . . 0.0 110.838 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.638 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -178.759 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 CA--C 1.553 1.092 0 CA-C-O 121.212 0.529 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.564 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.9 OUTLIER -53.81 -58.3 7.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.996 0.919 . . . . 0.0 111.219 -177.046 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 84.4 m -87.91 -3.92 58.88 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 115.357 -0.838 . . . . 0.0 113.171 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 69.3 ttt180 -102.16 9.93 39.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.493 0.663 . . . . 0.0 110.893 -175.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -114.15 165.73 12.35 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.839 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.1 m -59.21 -19.67 47.39 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 124.541 1.137 . . . . 0.0 113.776 -174.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -84.55 1.26 46.64 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.4 t -98.33 123.88 48.92 Favored Pre-proline 0 C--N 1.313 -1.021 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.21 -15.58 50.85 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.887 2.391 . . . . 0.0 112.666 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.534 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 93.6 m -80.42 -59.41 2.71 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.495 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.545 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 78.5 t80 -51.98 -55.45 20.32 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 123.851 0.86 . . . . 0.0 112.095 -179.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -71.19 -30.44 66.41 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.289 -172.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.5 m -103.88 14.68 30.31 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 64.75 33.25 10.49 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.534 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 47.9 m-80 -100.54 161.67 13.45 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 p -98.35 149.25 22.83 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.327 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.8 m -91.37 69.62 5.97 Favored 'General case' 0 CA--C 1.491 -1.325 0 CA-C-O 122.139 0.971 . . . . 0.0 110.47 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.54 108.68 10.42 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.53 8.02 44.22 Favored Glycine 0 C--N 1.3 -1.465 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -175.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 78.3 m -95.21 156.78 16.18 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -108.25 27.59 9.16 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.744 0.783 . . . . 0.0 109.757 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 7.6 p -72.1 131.55 42.98 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.939 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.4 t -104.58 126.52 59.37 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-N 114.256 -1.338 . . . . 0.0 107.775 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.01 51.44 7.65 Favored Glycine 0 N--CA 1.44 -1.048 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.43 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 7.2 t -92.27 123.83 35.89 Favored 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 115.254 -0.473 . . . . 0.0 111.21 -176.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 75.6 mmtt -122.51 93.77 4.08 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 167.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -111.55 118.53 46.93 Favored Pre-proline 0 C--N 1.287 -2.134 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -71.28 -13.14 30.67 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 122.068 1.845 . . . . 0.0 111.109 175.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 . . . . . 0 N--CA 1.437 -1.089 0 CA-C-O 121.724 0.773 . . . . 0.0 109.655 179.657 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 C--O 1.237 0.44 0 CA-C-O 120.802 0.251 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 9.9 mptt -112.62 114.21 26.72 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.0 p -93.21 153.37 18.65 Favored 'General case' 0 C--N 1.281 -2.385 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.687 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 15' ' ' ARG . 3.7 mpt_? -110.61 32.54 5.13 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.502 ' HB3' HG22 ' A' ' 27' ' ' THR . 95.9 m -55.21 136.67 48.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.259 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.545 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . . . . . . 0 C--N 1.294 -1.78 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.502 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -47.2 -64.34 0.81 Allowed 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 126.123 1.769 . . . . 0.0 112.8 -174.03 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 100.0 m -88.27 -4.75 58.65 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.555 178.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 71.1 ttt180 -102.13 22.11 13.74 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.648 0.737 . . . . 0.0 111.171 -171.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -129.14 164.95 22.25 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.583 -0.698 . . . . 0.0 109.584 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 p -68.7 -1.35 6.77 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -173.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -95.24 -8.77 35.12 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.802 -0.561 . . . . 0.0 110.134 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.5 t -84.19 120.64 74.88 Favored Pre-proline 0 C--O 1.246 0.91 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.03 -23.68 73.98 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.198 2.599 . . . . 0.0 113.114 -175.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.3 m -76.55 -61.97 1.78 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.678 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 74.8 t80 -46.0 -55.44 6.85 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.63 1.572 . . . . 0.0 112.0 -178.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.586 ' O ' ' HE3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -63.79 -38.31 90.64 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.579 -175.568 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.1 m -90.8 15.59 10.92 Favored 'General case' 0 C--N 1.31 -1.145 0 O-C-N 122.094 -0.379 . . . . 0.0 112.008 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 65.45 21.23 11.83 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.257 1.023 . . . . 0.0 111.722 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -100.16 156.23 17.31 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.838 0.828 . . . . 0.0 111.314 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 p -93.69 172.06 8.49 Favored 'General case' 0 C--N 1.277 -2.567 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.607 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 69.8 m -111.43 14.71 21.48 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.24 111.94 5.5 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 174.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.07 -15.59 33.35 Favored Glycine 0 N--CA 1.434 -1.469 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.539 -174.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 73.2 m -76.95 152.42 35.29 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 175.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -94.67 19.28 10.15 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.111 0.481 . . . . 0.0 110.364 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 7.7 p -67.95 130.79 44.05 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.824 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.545 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 31.6 t -109.24 119.49 58.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -177.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.25 43.03 5.71 Favored Glycine 0 C--N 1.299 -1.507 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 -174.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.484 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 5.4 t -90.08 119.78 30.71 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 114.689 -0.756 . . . . 0.0 111.183 -177.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 31.7 mmmt -117.93 93.87 4.3 Favored 'General case' 0 C--N 1.288 -2.106 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 171.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -111.63 116.11 50.68 Favored Pre-proline 0 C--N 1.296 -1.732 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.82 -2.3 12.44 Favored 'Trans proline' 0 CA--C 1.55 1.31 0 C-N-CA 122.569 2.179 . . . . 0.0 112.472 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 . . . . . 0 C--N 1.318 -0.786 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 176.165 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo . . . . . 0 N--CA 1.472 0.263 0 CA-C-O 121.826 0.678 . . . . 0.0 113.636 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HB2' ' HA ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -118.81 153.08 35.07 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.446 -1.252 . . . . 0.0 113.137 -172.432 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.2 p -129.46 163.64 25.44 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.509 -174.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -115.21 32.36 6.1 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.037 0.935 . . . . 0.0 109.984 177.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.0 m -60.01 144.67 48.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.063 0.459 . . . . 0.0 111.306 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.335 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -178.632 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.446 -0.668 0 N-CA-C 111.353 0.131 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.437 ' OG1' ' HA ' ' A' ' 50' ' ' CYS . 0.3 OUTLIER -50.51 -65.99 0.46 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.847 0.859 . . . . 0.0 112.768 -175.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.11 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 93.3 m -89.45 -5.99 56.89 Favored 'General case' 0 N--CA 1.416 -2.156 0 CA-C-N 114.825 -1.08 . . . . 0.0 113.773 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -99.71 29.67 4.01 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.819 -171.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -133.29 174.2 10.64 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 121.735 -0.603 . . . . 0.0 109.668 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -70.66 -2.82 15.64 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -173.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -90.85 -10.14 43.78 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.376 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 50.8 t -94.04 117.37 67.16 Favored Pre-proline 0 N--CA 1.429 -1.48 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.096 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.76 -4.23 10.79 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 123.733 2.955 . . . . 0.0 112.847 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.579 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 71.7 m -89.24 -68.14 0.79 Allowed 'General case' 0 N--CA 1.42 -1.931 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.466 178.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -55.21 -51.65 65.89 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -174.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -70.13 -22.14 63.02 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.251 0.548 . . . . 0.0 111.057 -173.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.6 m -100.84 7.01 43.93 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.013 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 63.46 34.26 12.94 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.579 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 87.8 m-20 -103.46 168.4 9.18 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.223 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.1 p -108.46 169.08 8.87 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 122.798 0.439 . . . . 0.0 109.958 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.497 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 89.4 m -93.67 72.23 4.26 Favored 'General case' 0 N--CA 1.434 -1.253 0 CA-C-O 121.789 0.804 . . . . 0.0 110.69 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.76 104.27 13.21 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.22 177.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.67 14.31 47.4 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 119.976 -1.107 . . . . 0.0 111.324 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.502 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 78.0 m -81.95 168.13 18.2 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.263 0.554 . . . . 0.0 111.99 -178.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -119.86 29.05 7.75 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.2 p -92.54 150.97 20.42 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.696 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -121.57 123.19 68.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.386 -177.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.76 42.01 87.75 Favored Glycine 0 C--O 1.249 1.083 0 O-C-N 123.39 0.431 . . . . 0.0 112.208 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 1.11 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 8.1 p -85.04 138.59 32.34 Favored 'General case' 0 N--CA 1.426 -1.644 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.019 -174.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -106.67 94.24 5.02 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 171.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -111.01 120.42 43.41 Favored Pre-proline 0 N--CA 1.428 -1.557 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -60.15 -22.75 71.26 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.483 2.122 . . . . 0.0 111.925 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 CA--C 1.499 -1.007 0 CA-C-O 120.998 0.428 . . . . 0.0 111.562 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo . . . . . 0 C--O 1.239 0.559 0 N-CA-C 114.929 1.088 . . . . 0.0 114.929 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -134.46 152.85 52.06 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 113.494 -1.684 . . . . 0.0 107.144 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.0 p -137.51 170.54 15.89 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 120.883 0.373 . . . . 0.0 111.561 -173.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -127.71 27.58 5.74 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.194 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.47 ' HB3' HG22 ' A' ' 27' ' ' THR . 64.1 m -56.97 106.92 0.35 Allowed 'General case' 0 C--O 1.211 -0.962 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.219 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.879 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -177.134 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.44 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 5.6 m . . . . . 0 CA--C 1.569 1.688 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.47 HG22 ' HB3' ' A' ' 16' ' ' CYS . 1.0 OUTLIER -52.24 -65.18 0.6 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.969 1.308 . . . . 0.0 112.367 -174.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 99.5 m -88.5 -4.4 58.62 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.148 177.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 62.4 ttt-85 -91.18 -1.14 57.78 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.577 -175.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -112.78 162.76 15.4 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.506 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m -67.59 -5.14 14.11 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -174.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -86.58 -3.58 59.05 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.422 0.63 . . . . 0.0 109.434 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.3 t -94.75 127.67 42.55 Favored Pre-proline 0 N--CA 1.439 -1.02 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.53 -35.13 83.5 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.517 2.145 . . . . 0.0 112.594 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.5 m -64.47 -57.67 8.57 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.581 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.427 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 86.9 t80 -52.16 -51.31 58.76 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 123.881 0.872 . . . . 0.0 111.803 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -64.13 -37.93 89.22 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 123.897 0.748 . . . . 0.0 110.366 -174.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.4 m -87.76 8.42 25.77 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 70.43 24.05 4.73 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.063 0.945 . . . . 0.0 112.948 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -103.92 161.37 14.03 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.241 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.0 p -100.76 168.87 9.39 Favored 'General case' 0 C--N 1.286 -2.161 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.495 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.5 m -95.27 73.27 3.33 Favored 'General case' 0 N--CA 1.418 -2.074 0 CA-C-O 122.33 1.062 . . . . 0.0 110.778 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.74 110.93 18.44 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 112.818 -1.992 . . . . 0.0 107.179 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.47 13.64 40.77 Favored Glycine 0 C--N 1.307 -1.057 0 C-N-CA 120.364 -0.922 . . . . 0.0 111.027 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.6 m -96.58 170.6 9.09 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 123.01 0.524 . . . . 0.0 109.713 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -120.07 44.34 2.45 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.969 0.89 . . . . 0.0 108.689 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.4 p -93.06 151.23 20.0 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.451 -1.249 . . . . 0.0 110.275 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.9 t -129.75 130.43 66.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.7 45.73 9.2 Favored Glycine 0 CA--C 1.5 -0.856 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.3 t -98.47 110.29 22.9 Favored 'General case' 0 N--CA 1.413 -2.299 0 CA-C-N 114.599 -0.8 . . . . 0.0 112.944 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 55.0 mtpt -113.54 95.3 5.28 Favored 'General case' 0 C--N 1.279 -2.492 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 167.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -106.13 115.08 61.74 Favored Pre-proline 0 C--N 1.298 -1.636 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.492 ' CG ' ' HG3' ' A' ' 29' ' ' ARG . 32.1 Cg_exo -62.11 -13.8 33.92 Favored 'Trans proline' 0 N--CA 1.478 0.566 0 C-N-CA 123.283 2.656 . . . . 0.0 113.208 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 . . . . . 0 N--CA 1.434 -1.273 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.925 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo . . . . . 0 N--CA 1.458 -0.565 0 N-CA-C 110.159 -0.747 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -125.31 150.0 47.54 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 15' ' ' ARG . 28.0 p -128.91 168.0 16.59 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.41 -175.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 14' ' ' CYS . 8.2 mpt_? -120.62 27.55 8.48 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.116 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.707 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 79.3 m -57.12 115.3 2.56 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.946 178.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . . . . . . 0 C--N 1.287 -2.185 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -178.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.43 -1.473 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.445 HG22 ' HB3' ' A' ' 16' ' ' CYS . 21.3 m -47.54 -64.77 0.7 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.707 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 34.6 m -87.69 -3.8 58.95 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HB2' ' HB2' ' A' ' 51' ' ' LYS . 63.8 ttt180 -98.46 17.39 19.06 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 -171.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -129.6 176.19 8.19 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.156 -0.617 . . . . 0.0 111.255 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 m -62.17 -13.71 30.11 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.381 1.472 . . . . 0.0 114.05 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.38 1.77 57.04 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 122.022 -0.423 . . . . 0.0 111.832 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.9 t -101.33 112.29 64.86 Favored Pre-proline 0 N--CA 1.432 -1.348 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.24 -29.11 86.69 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 123.164 2.576 . . . . 0.0 112.341 -175.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.0 m -68.56 -61.83 1.65 Allowed 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.089 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -53.93 -52.17 61.45 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 124.36 1.037 . . . . 0.0 112.014 -176.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 10.3 tmtt? -63.56 -36.0 82.33 Favored 'General case' 0 N--CA 1.438 -1.05 0 O-C-N 124.059 0.85 . . . . 0.0 109.879 -174.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 m -91.62 16.84 9.71 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 120.971 0.415 . . . . 0.0 110.672 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 65.71 22.55 11.58 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.249 1.42 . . . . 0.0 114.688 173.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -95.75 170.0 9.62 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.648 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.471 ' HA ' ' OD1' ' A' ' 52' ' ' ASN . 32.5 p -96.46 168.87 10.29 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.144 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.614 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 59.8 m -109.52 12.13 24.58 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.191 0.519 . . . . 0.0 111.915 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.27 112.24 7.25 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 174.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.8 -3.65 34.09 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.943 -177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.536 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 72.9 m -82.49 -173.44 4.6 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.236 0.541 . . . . 0.0 109.56 176.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -120.2 26.58 9.14 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.614 ' SG ' ' HB3' ' A' ' 42' ' ' CYS . 7.7 p -77.37 143.79 38.45 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.604 -1.18 . . . . 0.0 112.384 -177.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.403 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 67.0 t -120.01 127.05 75.87 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 C-N-CA 124.546 1.139 . . . . 0.0 108.21 -176.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.52 50.93 18.43 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -175.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.2 t -95.25 118.01 31.26 Favored 'General case' 0 N--CA 1.421 -1.88 0 CA-C-N 114.896 -0.652 . . . . 0.0 112.401 -175.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 29' ' ' ARG . 46.5 mmtm -110.21 94.2 4.89 Favored 'General case' 0 N--CA 1.421 -1.918 0 N-CA-C 105.694 -1.965 . . . . 0.0 105.694 168.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.471 ' OD1' ' HA ' ' A' ' 41' ' ' SER . 25.4 t-20 -111.01 104.99 56.94 Favored Pre-proline 0 C--N 1.293 -1.859 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -61.58 -2.51 2.68 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.303 2.669 . . . . 0.0 114.884 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.416 ' HB2' ' OD1' ' A' ' 52' ' ' ASN . 91.7 m-70 . . . . . 0 C--N 1.317 -0.822 0 CA-C-O 121.215 0.531 . . . . 0.0 109.725 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 N--CA 1.449 -1.147 0 CA-C-O 121.38 0.492 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -106.5 109.58 21.54 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.944 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.7 p -93.12 155.63 17.36 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.839 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -115.9 31.71 6.54 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.817 0.818 . . . . 0.0 110.191 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.1 m -59.62 111.98 1.63 Allowed 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.785 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.773 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 -177.712 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.462 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 6.1 p . . . . . 0 N--CA 1.444 -0.767 0 CA-C-O 120.452 0.168 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -65.55 0.54 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.543 1.137 . . . . 0.0 111.754 -176.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 95.6 m -89.2 -4.47 58.21 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.334 177.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 76.2 ttt180 -94.61 5.75 50.91 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.639 -173.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -118.59 167.1 11.94 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.419 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 m -67.39 -9.45 41.64 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -87.28 -4.12 59.06 Favored 'General case' 0 C--O 1.244 0.798 0 O-C-N 121.903 -0.498 . . . . 0.0 110.823 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 45.1 t -89.43 120.52 69.67 Favored Pre-proline 0 N--CA 1.424 -1.731 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.67 -15.62 49.83 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 123.055 2.503 . . . . 0.0 112.7 -176.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 77.6 m -82.7 -58.28 2.96 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.275 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 75.1 t80 -48.53 -59.91 3.12 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.782 1.233 . . . . 0.0 112.609 -178.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -71.09 -18.04 62.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.911 -173.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.405 ' HB2' HD22 ' A' ' 40' ' ' ASN . 18.0 m -104.14 11.85 34.61 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 120.999 0.428 . . . . 0.0 110.61 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 63.65 28.49 15.04 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.069 0.948 . . . . 0.0 112.709 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.405 HD22 ' HB2' ' A' ' 38' ' ' SER . 52.4 m-80 -100.09 165.84 11.31 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-O 121.534 0.683 . . . . 0.0 110.992 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -101.47 150.92 22.55 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.439 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.448 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 89.2 m -87.21 71.21 10.1 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 121.789 0.804 . . . . 0.0 110.545 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.76 108.49 16.4 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 113.82 -1.536 . . . . 0.0 108.348 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.94 3.2 45.72 Favored Glycine 0 C--N 1.308 -1.015 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 73.8 m -86.49 163.51 17.48 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.39 -0.405 . . . . 0.0 110.343 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -112.02 29.28 8.02 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 8.0 p -79.23 131.55 36.21 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.946 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.6 t -118.09 115.88 49.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.4 41.57 5.74 Favored Glycine 0 C--N 1.3 -1.461 0 N-CA-C 108.058 -2.017 . . . . 0.0 108.058 -173.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 6.7 t -81.05 109.41 15.6 Favored 'General case' 0 N--CA 1.42 -1.949 0 CA-C-N 114.338 -0.931 . . . . 0.0 111.171 -176.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -111.4 93.26 4.38 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 170.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -111.78 116.52 49.87 Favored Pre-proline 0 C--N 1.293 -1.851 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -75.47 1.04 8.4 Favored 'Trans proline' 0 C--N 1.326 -0.623 0 C-N-CA 122.318 2.012 . . . . 0.0 112.978 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 . . . . . 0 C--N 1.316 -0.854 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.099 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo . . . . . 0 C--O 1.239 0.563 0 CA-C-O 121.575 0.573 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -133.53 152.4 51.9 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.067 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 p -122.4 163.28 20.08 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.674 -176.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -127.44 37.31 4.25 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.031 0.932 . . . . 0.0 109.857 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 35.2 m -64.5 149.02 49.44 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.806 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.771 0 C-N-CA 119.544 -1.312 . . . . 0.0 112.895 174.061 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -41.12 -65.3 0.44 Allowed 'General case' 0 C--O 1.214 -0.786 0 C-N-CA 125.201 1.4 . . . . 0.0 113.634 -176.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.11 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 71.0 m -88.99 -5.02 58.24 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -95.21 -15.13 23.48 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 120.892 0.377 . . . . 0.0 111.634 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -92.87 162.06 14.24 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.502 -177.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 m -66.66 -15.78 63.73 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -173.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -78.38 -11.1 59.92 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.679 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' A' ' 28' ' ' CYS . 53.6 t -88.57 123.31 68.32 Favored Pre-proline 0 N--CA 1.415 -2.183 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 173.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.65 -32.92 96.64 Favored 'Trans proline' 0 CA--C 1.517 -0.371 0 C-N-CA 122.771 2.314 . . . . 0.0 111.586 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.542 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 65.5 m -60.62 -51.34 69.82 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -176.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.505 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 67.1 t80 -61.07 -46.67 89.71 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.081 0.467 . . . . 0.0 111.136 -177.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -75.4 -26.66 58.59 Favored 'General case' 0 N--CA 1.419 -2.007 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -102.85 3.08 36.23 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.691 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 63.9 39.85 7.85 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.656 1.182 . . . . 0.0 110.587 177.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.542 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 11.9 m120 -95.07 151.78 18.9 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.764 -178.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -99.17 148.93 23.58 Favored 'General case' 0 N--CA 1.408 -2.526 0 CA-C-N 115.37 -0.832 . . . . 0.0 108.807 177.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.689 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 67.4 m -87.54 24.72 1.61 Allowed 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -175.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.29 105.66 12.66 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.56 -4.92 34.93 Favored Glycine 0 N--CA 1.43 -1.707 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -176.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.689 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 97.0 m -79.09 156.92 28.11 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -105.49 19.22 20.93 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.594 0.711 . . . . 0.0 111.179 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 6.0 p -72.05 132.58 44.43 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.92 176.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.0 118.15 49.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.895 -177.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.42 52.42 35.54 Favored Glycine 0 N--CA 1.435 -1.403 0 O-C-N 123.961 0.788 . . . . 0.0 111.14 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 1.11 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 9.4 p -85.77 134.87 33.92 Favored 'General case' 0 N--CA 1.425 -1.68 0 C-N-CA 120.028 -0.669 . . . . 0.0 109.782 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -101.08 93.25 5.39 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 172.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -112.18 118.24 46.29 Favored Pre-proline 0 C--N 1.301 -1.503 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -60.0 -26.89 83.66 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 122.612 2.208 . . . . 0.0 111.884 174.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 . . . . . 0 C--N 1.32 -0.706 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -179.912 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HD2' ' OD1' ' A' ' 40' ' ' ASN . 31.6 Cg_exo . . . . . 0 C--O 1.243 0.764 0 CA-C-O 121.193 0.414 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -135.98 152.32 50.83 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.9 p -137.6 157.02 47.4 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.289 0.566 . . . . 0.0 111.807 -174.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -119.77 38.23 3.97 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.03 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 59.4 m -67.13 161.11 25.33 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.861 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.256 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.963 174.046 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.434 -1.231 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.8 m -51.37 -66.72 0.34 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.999 1.32 . . . . 0.0 113.375 -173.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 65.2 m -90.58 -5.18 56.23 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 71.0 ttt180 -96.81 23.35 7.17 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.746 -171.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -128.78 164.23 23.47 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.3 m -69.35 -8.97 51.17 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -173.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.498 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.1 mmp_? -86.32 -1.18 57.29 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.688 -0.632 . . . . 0.0 110.995 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.2 t -94.46 118.11 66.98 Favored Pre-proline 0 N--CA 1.43 -1.428 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.66 -34.19 97.77 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.639 2.226 . . . . 0.0 112.532 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.5 m -63.36 -51.2 66.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.743 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -60.02 -44.98 94.25 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.318 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.509 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -78.01 -34.01 50.89 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -177.192 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.1 m -90.95 12.78 18.51 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 120.796 0.331 . . . . 0.0 111.44 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.505 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 31.0 m-85 59.49 54.57 4.54 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.558 ' OD1' ' HD2' ' A' ' 12' ' ' PRO . 1.3 m-80 -128.92 156.94 42.92 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 121.321 0.581 . . . . 0.0 111.703 176.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.14 160.07 14.86 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.876 175.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.4 m -90.28 73.26 7.1 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-O 122.037 0.922 . . . . 0.0 113.028 -173.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.39 123.89 51.28 Favored 'General case' 0 C--N 1.286 -2.196 0 CA-C-N 113.676 -1.602 . . . . 0.0 107.321 172.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.29 14.12 59.22 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.428 -0.891 . . . . 0.0 111.271 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 77.9 m -97.0 170.19 9.32 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.197 0.522 . . . . 0.0 110.805 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -114.88 19.06 16.13 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 16.5 p -70.78 125.18 26.11 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -176.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.8 t -99.29 128.25 51.18 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 113.657 -1.61 . . . . 0.0 108.267 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.89 41.39 72.82 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.453 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 8.7 t -75.09 109.64 8.73 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -176.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 12.3 mptt -107.18 92.14 3.95 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 166.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.434 ' ND2' ' HB2' ' A' ' 54' ' ' HIS . 51.6 t30 -112.85 115.96 48.03 Favored Pre-proline 0 C--N 1.281 -2.394 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 176.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.81 -9.3 25.75 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 121.89 1.727 . . . . 0.0 110.884 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.505 ' CE1' ' HA ' ' A' ' 39' ' ' TYR . 22.4 m-70 . . . . . 0 N--CA 1.422 -1.861 0 CA-C-O 122.166 0.984 . . . . 0.0 113.071 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo . . . . . 0 N--CA 1.448 -1.156 0 CA-C-O 121.191 0.413 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 60.2 mttp -128.07 153.02 47.27 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.182 -176.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 p -129.53 170.91 13.14 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 121.171 0.51 . . . . 0.0 111.533 -175.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -129.3 25.17 5.49 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.867 -1.06 . . . . 0.0 108.813 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.435 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 82.1 m -52.19 117.85 3.1 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.266 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.583 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -177.024 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.553 1.09 0 CA-C-O 120.95 0.405 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 m -64.23 -65.38 0.69 Allowed 'General case' 0 C--O 1.213 -0.827 0 CA-C-O 120.95 0.405 . . . . 0.0 110.844 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 57.1 m -89.6 -5.26 57.33 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 173.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -94.57 3.89 54.54 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 121.234 0.54 . . . . 0.0 111.531 -174.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -97.1 165.91 11.84 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.905 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.556 ' O ' ' HD2' ' A' ' 37' ' ' LYS . 4.4 p -65.66 -15.24 62.59 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -174.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtp-105 -85.46 0.59 51.85 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.953 -0.467 . . . . 0.0 110.921 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.2 t -89.47 110.89 42.24 Favored Pre-proline 0 N--CA 1.432 -1.356 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 174.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.74 -29.03 88.49 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.197 2.598 . . . . 0.0 112.581 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.0 m -67.76 -60.09 2.8 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -52.83 -50.17 64.26 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 124.761 1.225 . . . . 0.0 111.458 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.556 ' HD2' ' O ' ' A' ' 31' ' ' SER . 77.7 tttt -68.52 -25.12 64.78 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.678 -175.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.6 m -100.13 8.91 43.55 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 66.75 29.38 8.6 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.024 0.93 . . . . 0.0 112.93 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -109.28 159.83 16.63 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 120.913 0.387 . . . . 0.0 110.532 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.2 p -87.33 164.86 16.02 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.934 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 69.0 m -92.89 77.86 4.74 Favored 'General case' 0 N--CA 1.417 -2.077 0 CA-C-O 122.01 0.91 . . . . 0.0 109.471 177.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.94 105.86 13.75 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 113.871 -1.513 . . . . 0.0 109.297 174.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.414 ' O ' ' HD3' ' A' ' 13' ' ' LYS . . . 99.75 13.85 36.29 Favored Glycine 0 CA--C 1.499 -0.917 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.128 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.2 m -85.51 177.59 7.7 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.297 0.57 . . . . 0.0 110.204 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -119.66 24.4 10.63 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.488 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 13.7 p -71.46 141.53 50.22 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 114.269 -1.332 . . . . 0.0 110.569 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.9 t -119.08 113.91 42.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -176.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.68 52.33 4.46 Favored Glycine 0 N--CA 1.429 -1.811 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 -177.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.488 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 10.1 t -81.16 117.64 21.87 Favored 'General case' 0 N--CA 1.418 -2.074 0 C-N-CA 123.72 0.808 . . . . 0.0 112.092 -175.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 9.1 mptt -115.01 93.39 4.29 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 105.512 -2.032 . . . . 0.0 105.512 168.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -111.15 121.04 41.65 Favored Pre-proline 0 C--N 1.292 -1.908 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -66.68 -16.36 50.23 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 174.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 . . . . . 0 CA--C 1.491 -1.305 0 CA-C-O 122.104 0.954 . . . . 0.0 110.688 -179.077 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo . . . . . 0 C--O 1.247 0.956 0 CA-C-O 121.202 0.418 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.432 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 20.1 pttp -130.64 116.59 18.3 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 121.92 0.867 . . . . 0.0 110.351 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.3 p -110.01 158.28 18.42 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.186 -174.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 15' ' ' ARG . 6.4 mpt_? -111.55 30.35 7.04 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.495 ' HB3' HG22 ' A' ' 27' ' ' THR . 69.4 m -56.73 132.51 52.29 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.687 179.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.285 -2.254 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -175.69 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 N--CA 1.432 -1.336 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 16' ' ' CYS . 3.7 m -49.39 -66.04 0.46 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.349 1.06 . . . . 0.0 112.111 -174.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 56.5 m -90.29 -4.99 56.8 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 174.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -93.98 -4.05 50.38 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -171.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -89.98 162.89 15.17 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.427 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.6 m -70.64 -0.56 8.95 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -174.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.536 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 3.2 mmp_? -103.7 4.06 34.95 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.415 -0.803 . . . . 0.0 111.072 177.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.1 t -88.88 120.02 69.97 Favored Pre-proline 0 C--O 1.244 0.808 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 174.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.93 -36.7 97.98 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 123.475 2.783 . . . . 0.0 112.976 -175.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 68.1 m -68.12 -57.31 6.28 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.134 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -52.41 -51.94 56.4 Favored 'General case' 0 C--N 1.312 -1.049 0 O-C-N 124.588 1.18 . . . . 0.0 112.155 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -66.83 -31.61 72.33 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 123.592 0.558 . . . . 0.0 109.876 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 t -89.56 6.39 41.32 Favored 'General case' 0 CA--C 1.554 1.1 0 O-C-N 122.176 -0.328 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 69.23 23.43 6.32 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.716 0.807 . . . . 0.0 113.014 176.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -103.5 152.99 21.03 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.771 0.32 . . . . 0.0 111.703 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 p -84.52 154.01 22.94 Favored 'General case' 0 C--O 1.253 1.241 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.706 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 49.3 m -92.99 14.17 18.49 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.25 111.1 4.95 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 173.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.96 10.67 25.92 Favored Glycine 0 C--N 1.309 -0.952 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.159 -176.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.432 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 77.7 m -98.7 177.29 5.35 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 175.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -107.85 23.27 14.73 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 18.6 p -78.64 140.25 38.43 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.528 -179.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.6 t -117.67 121.07 66.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.408 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.86 37.76 43.56 Favored Glycine 0 CA--C 1.498 -0.982 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.567 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 2.7 t -68.64 109.91 4.01 Favored 'General case' 0 N--CA 1.426 -1.666 0 CA-C-N 114.177 -1.012 . . . . 0.0 111.815 -178.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -101.05 93.49 5.52 Favored 'General case' 0 N--CA 1.422 -1.845 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 170.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -111.77 116.21 50.25 Favored Pre-proline 0 C--N 1.298 -1.649 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -66.68 -12.83 37.49 Favored 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 122.482 2.121 . . . . 0.0 112.545 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 . . . . . 0 CA--C 1.485 -1.524 0 CA-C-O 121.849 0.833 . . . . 0.0 112.833 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 CA--C 1.502 -1.091 0 CA-C-O 121.77 0.654 . . . . 0.0 113.652 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -132.77 152.63 51.73 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.331 -176.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.6 p -133.88 175.31 9.57 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.103 0.478 . . . . 0.0 110.893 -174.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -137.12 37.4 2.55 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.112 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 61.8 m -61.0 146.89 45.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.139 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.233 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.507 178.1 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.444 -0.74 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 p -52.15 -65.99 0.46 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.32 -1.309 . . . . 0.0 113.395 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.454 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 71.9 m -89.33 -4.7 58.0 Favored 'General case' 0 C--N 1.281 -2.383 0 CA-C-N 114.244 -1.344 . . . . 0.0 113.817 -176.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -96.72 -5.37 38.85 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.078 0.466 . . . . 0.0 111.646 -175.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -102.21 159.29 15.53 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.203 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.3 m -67.67 -6.96 23.09 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -173.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -89.04 -6.08 57.43 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 121.434 -0.791 . . . . 0.0 110.873 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' SG ' ' HA ' ' A' ' 28' ' ' CYS . 53.7 t -83.46 124.96 75.11 Favored Pre-proline 0 N--CA 1.441 -0.921 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 175.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -57.84 -34.69 98.62 Favored 'Trans proline' 0 C--O 1.208 -1.015 0 C-N-CA 123.057 2.505 . . . . 0.0 112.307 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 79.6 m -64.8 -55.18 21.23 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 65.7 t80 -57.67 -49.2 77.29 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.136 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -70.83 -28.62 64.74 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.396 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -102.31 21.95 14.17 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.82 -0.55 . . . . 0.0 112.253 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 62.07 31.66 17.8 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 169.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -119.29 152.89 35.94 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -80.4 176.24 9.95 Favored 'General case' 0 N--CA 1.409 -2.488 0 CA-C-N 114.75 -1.113 . . . . 0.0 109.834 175.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.409 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 67.4 m -107.47 19.57 20.07 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -176.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.63 107.82 1.86 Allowed 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 172.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.59 14.0 22.77 Favored Glycine 0 N--CA 1.433 -1.514 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.562 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 75.2 m -99.8 172.71 7.08 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 117.231 0.516 . . . . 0.0 111.472 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -106.26 13.95 28.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.486 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 17.9 p -77.59 135.91 38.21 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.387 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.0 t -120.48 130.65 74.22 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.42 28.48 32.94 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 -176.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.445 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 2.9 t -75.87 113.73 13.69 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.858 1.263 . . . . 0.0 113.105 -175.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -106.46 94.18 5.0 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 104.624 -2.361 . . . . 0.0 104.624 168.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -110.78 111.81 56.48 Favored Pre-proline 0 C--N 1.287 -2.123 0 C-N-CA 119.126 -1.03 . . . . 0.0 108.849 175.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -65.41 -10.27 25.46 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.756 2.304 . . . . 0.0 112.279 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 . . . . . 0 N--CA 1.44 -0.957 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 176.113 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.565 ' HB2' ' HB2' ' A' ' 34' ' ' PRO . 4.0 Cg_exo . . . . . 0 N--CA 1.43 -2.262 0 N-CA-C 110.249 -0.712 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -111.62 116.4 30.74 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.296 -174.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 25.5 p -79.21 157.01 27.91 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.383 -1.281 . . . . 0.0 112.49 -172.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -125.97 27.9 6.24 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.669 -1.15 . . . . 0.0 108.445 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 38.8 m -55.56 126.69 26.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.117 -1.402 . . . . 0.0 111.418 -177.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.646 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.438 -1.041 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.7 -64.08 0.86 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.782 0.833 . . . . 0.0 113.154 -178.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.03 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 93.8 m -89.71 -4.79 57.55 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 176.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -98.91 29.94 3.59 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.64 0.733 . . . . 0.0 111.082 -171.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -132.29 161.96 32.19 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.2 m -69.01 -5.07 19.48 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -174.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -96.52 0.69 50.55 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.352 0.596 . . . . 0.0 110.013 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.1 t -92.32 122.59 64.38 Favored Pre-proline 0 N--CA 1.43 -1.453 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.649 ' O ' ' HB2' ' A' ' 38' ' ' SER . 16.2 Cg_endo -62.92 -9.78 17.91 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.383 2.722 . . . . 0.0 113.048 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 87.8 m -88.85 -50.35 6.27 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.024 175.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 59.9 t80 -63.16 -57.34 10.86 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.359 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 8.8 tmtm? -80.9 -37.92 28.88 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.92 -171.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.649 ' HB2' ' O ' ' A' ' 34' ' ' PRO . 19.2 m -87.07 1.31 53.35 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.159 0.504 . . . . 0.0 111.297 -177.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 62.27 63.89 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.356 1.062 . . . . 0.0 113.075 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.415 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 58.0 m-80 -128.77 160.19 33.34 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.583 174.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 p -101.87 156.02 17.78 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 177.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.497 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 80.2 m -83.2 68.11 9.47 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.737 0.78 . . . . 0.0 111.589 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.5 96.28 7.03 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.165 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.21 10.83 59.2 Favored Glycine 0 C--N 1.31 -0.902 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.822 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 79.3 m -76.82 152.17 35.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -105.29 27.14 8.57 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 121.547 0.689 . . . . 0.0 111.317 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 p -76.04 146.32 39.53 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.222 174.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.6 t -104.82 116.74 49.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.498 -174.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.82 37.76 94.18 Favored Glycine 0 C--O 1.243 0.699 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.951 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 1.03 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 16.4 p -64.97 139.63 58.78 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.317 0.58 . . . . 0.0 111.598 -173.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -106.84 94.99 5.41 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 172.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -110.0 117.49 51.81 Favored Pre-proline 0 C--N 1.296 -1.726 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 177.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.28 -36.52 78.47 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.931 2.421 . . . . 0.0 112.828 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.9 p80 . . . . . 0 N--CA 1.42 -1.934 0 CA-C-O 122.143 0.973 . . . . 0.0 112.571 -177.733 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD2' HD22 ' A' ' 40' ' ' ASN . 15.2 Cg_exo . . . . . 0 N--CA 1.442 -1.504 0 N-CA-C 109.54 -0.985 . . . . 0.0 109.54 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -102.24 110.34 22.27 Favored 'General case' 0 C--N 1.278 -2.539 0 CA-C-O 122.143 0.973 . . . . 0.0 110.894 -173.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.69 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 11.5 p -85.19 139.92 31.3 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-N 114.356 -1.293 . . . . 0.0 111.482 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -113.7 38.4 2.96 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -175.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.69 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 50.2 m -63.11 153.37 34.4 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 113.157 -1.838 . . . . 0.0 110.988 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . . . . . . 0 CA--C 1.496 -1.156 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.614 176.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.2 OUTLIER -46.36 -64.15 0.83 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.055 1.742 . . . . 0.0 112.257 -176.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 60.0 m -86.67 -3.6 59.06 Favored 'General case' 0 C--O 1.205 -1.273 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 178.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 77.6 ttt180 -102.6 16.58 26.0 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 121.676 0.751 . . . . 0.0 111.182 -176.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -128.82 165.27 21.32 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.683 -1.26 . . . . 0.0 110.929 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 m -64.28 -11.37 31.08 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -173.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.2 mtt85 -80.3 -12.13 59.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 50.3 t -90.04 116.47 66.44 Favored Pre-proline 0 N--CA 1.436 -1.146 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.74 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.17 -12.23 31.73 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.116 2.544 . . . . 0.0 112.325 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.439 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 11.1 t -85.55 -46.48 10.79 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.506 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 78.9 t80 -66.79 -47.3 72.54 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.916 -178.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -73.58 -11.62 60.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.28 0.562 . . . . 0.0 110.551 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -99.32 4.72 46.54 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 61.65 27.22 16.7 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 125.498 1.519 . . . . 0.0 111.31 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.438 HD22 ' HD2' ' A' ' 12' ' ' PRO . 87.7 m-20 -96.44 155.74 16.64 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.23 -177.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 p -89.87 152.79 21.08 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.062 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.523 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 80.5 m -85.1 73.76 10.6 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 122.163 0.983 . . . . 0.0 110.901 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.47 107.78 18.97 Favored 'General case' 0 C--N 1.275 -2.636 0 CA-C-N 113.75 -1.568 . . . . 0.0 108.543 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.02 2.75 68.61 Favored Glycine 0 C--N 1.31 -0.889 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.819 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 65.7 m -78.58 150.38 32.78 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -103.0 27.86 6.75 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.747 0.784 . . . . 0.0 110.204 -178.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 14.3 p -76.14 139.32 41.24 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.818 -1.083 . . . . 0.0 112.67 -177.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.479 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 43.2 t -115.0 141.15 32.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 178.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.7 48.21 63.31 Favored Glycine 0 C--O 1.238 0.4 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.4 t -100.21 125.03 46.32 Favored 'General case' 0 N--CA 1.411 -2.389 0 CA-C-N 114.902 -0.649 . . . . 0.0 111.442 -174.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 95.3 mttt -124.39 94.9 4.34 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 169.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -109.18 112.08 59.81 Favored Pre-proline 0 C--N 1.299 -1.599 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.53 -25.99 54.84 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.417 2.078 . . . . 0.0 111.472 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 . . . . . 0 CA--C 1.495 -1.138 0 CA-C-O 121.182 0.515 . . . . 0.0 110.173 -176.645 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo . . . . . 0 N--CA 1.456 -0.706 0 CA-C-O 121.408 0.503 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -135.92 152.95 51.52 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.001 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.0 p -141.31 160.99 38.97 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-O 121.063 0.459 . . . . 0.0 111.0 -172.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -123.28 34.82 5.01 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.8 m -54.49 142.94 25.64 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.547 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.551 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -177.702 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.442 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 9.4 p . . . . . 0 N--CA 1.439 -1.023 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.11 -66.49 0.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.428 1.491 . . . . 0.0 111.499 -175.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 94.6 m -90.53 -4.24 57.05 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.912 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 33.8 ttt180 -95.72 -2.45 47.86 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.951 -171.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -103.56 161.5 13.84 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.644 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -64.78 -8.67 15.91 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -174.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 35.3 mmt180 -93.89 3.95 54.63 Favored 'General case' 0 C--O 1.244 0.806 0 O-C-N 121.957 -0.464 . . . . 0.0 111.498 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.6 t -90.0 119.77 69.33 Favored Pre-proline 0 N--CA 1.427 -1.581 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 171.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.03 -23.97 78.56 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 C-N-CA 122.778 2.319 . . . . 0.0 112.754 -173.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 80.8 m -75.02 -58.39 3.31 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -49.24 -55.33 12.95 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 124.957 1.303 . . . . 0.0 112.912 -176.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -72.92 -16.38 61.55 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.442 -174.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.2 m -103.81 15.62 28.29 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 70.22 21.96 5.68 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.237 1.015 . . . . 0.0 113.229 175.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -111.41 152.53 27.25 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.579 ' HA ' ' OD1' ' A' ' 52' ' ' ASN . 0.9 OUTLIER -90.99 178.07 6.11 Favored 'General case' 0 N--CA 1.396 -3.169 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.834 178.268 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 96.4 m -111.42 19.11 18.54 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -173.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.22 116.26 12.44 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.39 -0.924 . . . . 0.0 108.71 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.03 -10.4 34.13 Favored Glycine 0 C--N 1.308 -0.989 0 C-N-CA 121.463 -0.399 . . . . 0.0 112.502 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.9 m -78.88 179.46 7.25 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -116.69 18.64 14.86 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-O 121.415 0.626 . . . . 0.0 109.996 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.4 p -67.78 140.66 56.67 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.885 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -116.1 130.47 70.78 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.203 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.54 42.91 31.69 Favored Glycine 0 CA--C 1.492 -1.368 0 N-CA-C 109.156 -1.578 . . . . 0.0 109.156 -175.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.3 t -82.69 109.31 16.75 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -174.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -105.79 93.92 4.9 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 166.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.579 ' OD1' ' HA ' ' A' ' 41' ' ' SER . 26.1 t-20 -111.05 115.38 52.92 Favored Pre-proline 0 C--N 1.29 -1.999 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 176.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 52' ' ' ASN . 35.8 Cg_exo -65.86 -6.81 15.02 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.149 2.566 . . . . 0.0 114.526 -178.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 . . . . . 0 C--N 1.305 -1.335 0 CA-C-O 121.43 0.633 . . . . 0.0 110.656 -179.419 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo . . . . . 0 N--CA 1.462 -0.364 0 CA-C-O 121.122 0.384 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 51.6 pttt -123.19 147.49 46.81 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.23 164.79 26.59 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.019 -172.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.72 26.11 9.93 Favored 'General case' 0 C--O 1.249 1.041 0 C-N-CA 124.126 0.97 . . . . 0.0 108.878 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' HB3' HG22 ' A' ' 27' ' ' THR . 70.8 m -55.14 134.71 49.6 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.03 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . . . . . . 0 C--N 1.299 -1.481 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.621 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 1.4 p . . . . . 0 N--CA 1.428 -1.544 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.486 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.2 OUTLIER -53.84 -65.16 0.62 Allowed 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 123.631 0.773 . . . . 0.0 111.689 -176.058 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 95.6 m -89.02 -3.9 58.56 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 177.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.621 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 62.4 ttt180 -99.54 8.81 44.17 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.386 -173.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -115.96 171.1 7.99 Favored 'General case' 0 C--N 1.31 -1.125 0 O-C-N 121.379 -0.826 . . . . 0.0 109.342 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -70.53 -7.03 40.64 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -172.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -87.29 -11.61 49.05 Favored 'General case' 0 CA--C 1.505 -0.777 0 O-C-N 121.909 -0.494 . . . . 0.0 110.375 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.4 t -86.88 114.92 60.55 Favored Pre-proline 0 N--CA 1.417 -2.098 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 176.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.08 -25.26 77.23 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.311 2.674 . . . . 0.0 111.992 -175.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.8 m -70.83 -58.89 3.16 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.408 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.515 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 83.5 t80 -56.28 -45.11 80.3 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.947 0.899 . . . . 0.0 111.797 -178.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -74.13 -10.2 59.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.705 0.764 . . . . 0.0 110.462 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 t -106.01 3.64 28.5 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 176.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 64.82 22.45 12.53 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.102 0.961 . . . . 0.0 111.889 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -103.28 160.8 14.36 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.403 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 p -86.0 176.05 8.25 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.628 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 95.6 m -103.76 70.44 1.01 Allowed 'General case' 0 N--CA 1.418 -2.026 0 CA-C-O 121.578 0.704 . . . . 0.0 110.959 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.64 105.28 15.07 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.628 175.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.44 13.83 23.46 Favored Glycine 0 N--CA 1.437 -1.252 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.119 -177.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 83.8 m -95.58 169.22 10.19 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-O 121.309 0.576 . . . . 0.0 109.96 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -117.56 25.51 10.36 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.4 p -75.3 145.26 41.96 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.451 -1.25 . . . . 0.0 112.256 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.471 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 87.4 t -119.28 135.22 60.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 C-N-CA 125.178 1.391 . . . . 0.0 107.622 -179.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.41 40.69 91.46 Favored Glycine 0 C--O 1.245 0.794 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -178.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.6 t -76.86 109.76 10.92 Favored 'General case' 0 N--CA 1.413 -2.307 0 CA-C-N 114.213 -0.993 . . . . 0.0 111.626 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 34.4 mmtp -108.36 93.24 4.42 Favored 'General case' 0 N--CA 1.413 -2.29 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 168.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -112.7 118.87 44.32 Favored Pre-proline 0 C--N 1.286 -2.191 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 175.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.18 -25.73 79.15 Favored 'Trans proline' 0 C--O 1.242 0.703 0 C-N-CA 122.366 2.044 . . . . 0.0 111.499 174.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 . . . . . 0 N--CA 1.435 -1.2 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.934 179.355 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 CA--C 1.529 0.267 0 CA-C-O 121.566 0.569 . . . . 0.0 113.384 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -132.58 150.86 52.09 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 115.203 -0.908 . . . . 0.0 108.694 179.666 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.2 p -144.62 167.44 22.53 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 -125.43 24.85 7.21 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -176.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m -57.22 107.75 0.45 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.55 -1.204 . . . . 0.0 110.277 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . . . . . . 0 C--N 1.297 -1.626 0 C-N-CA 119.76 -1.21 . . . . 0.0 112.557 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 CA--C 1.55 0.974 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -66.04 0.5 Allowed 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 124.742 1.217 . . . . 0.0 110.543 -178.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.6 m -90.4 -5.56 56.01 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.044 -0.98 . . . . 0.0 113.543 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -96.33 -1.68 47.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.25 0.547 . . . . 0.0 112.422 -174.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -87.34 160.21 18.47 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.009 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -71.82 -2.36 17.45 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -99.72 3.73 45.13 Favored 'General case' 0 N--CA 1.438 -1.026 0 O-C-N 121.981 -0.449 . . . . 0.0 110.545 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.2 t -85.92 118.34 70.33 Favored Pre-proline 0 N--CA 1.435 -1.192 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 173.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.82 -33.19 94.0 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.804 2.336 . . . . 0.0 112.659 -174.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.9 m -68.76 -54.09 18.05 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.602 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -53.52 -51.47 62.75 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 124.414 1.086 . . . . 0.0 111.765 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -26.59 63.37 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.854 0.359 . . . . 0.0 111.211 -177.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.8 t -84.99 -3.49 58.79 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.519 ' HD1' ' CE1' ' A' ' 54' ' ' HIS . 47.6 m-85 68.48 21.09 8.29 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.675 1.19 . . . . 0.0 111.265 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -97.6 166.26 11.59 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.127 -178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 p -90.51 165.46 13.78 Favored 'General case' 0 N--CA 1.418 -2.062 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.868 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 96.7 m -95.02 69.56 3.25 Favored 'General case' 0 N--CA 1.429 -1.52 0 CA-C-O 122.057 0.932 . . . . 0.0 110.764 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.61 113.35 25.91 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 113.888 -1.505 . . . . 0.0 108.01 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.02 14.17 40.41 Favored Glycine 0 N--CA 1.435 -1.416 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 71.6 m -95.42 168.63 10.59 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-O 121.119 0.485 . . . . 0.0 110.744 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.76 26.13 9.54 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.0 p -80.71 143.68 32.8 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.567 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.484 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 60.7 t -130.44 116.97 37.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -175.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.57 39.3 6.74 Favored Glycine 0 C--N 1.303 -1.285 0 N-CA-C 108.526 -1.83 . . . . 0.0 108.526 -173.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.6 t -81.59 109.85 16.42 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 114.222 -0.989 . . . . 0.0 112.765 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -109.24 92.61 4.12 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 168.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -113.04 112.71 49.84 Favored Pre-proline 0 C--N 1.306 -1.313 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.686 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.22 -13.58 33.68 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.245 1.963 . . . . 0.0 111.683 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.519 ' CE1' ' HD1' ' A' ' 39' ' ' TYR . 86.3 m-70 . . . . . 0 CA--C 1.488 -1.413 0 CA-C-O 121.916 0.865 . . . . 0.0 110.908 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -73.05 168.34 24.99 Favored 'Trans proline' 0 C--O 1.25 1.08 0 C-N-CA 122.556 2.171 . . . . 0.0 111.344 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -63.71 126.7 18.0 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.862 1.708 . . . . 0.0 109.645 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -104.48 111.97 65.29 Favored Pre-proline 0 C--N 1.305 -1.33 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -74.41 150.51 41.37 Favored 'Trans proline' 0 N--CA 1.443 -1.448 0 C-N-CA 122.403 2.069 . . . . 0.0 109.786 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -124.54 144.41 50.14 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.9 p -135.54 166.44 23.19 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.972 -175.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -126.17 32.16 5.28 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.2 m -56.67 106.61 0.31 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.89 0.744 . . . . 0.0 110.844 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 128.48 -43.43 1.32 Allowed Glycine 0 C--N 1.297 -1.595 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 mm -79.16 -35.38 17.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 175.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.2 p -149.48 179.53 7.89 Favored 'General case' 0 C--O 1.257 1.482 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.315 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.37 -98.98 2.12 Favored Glycine 0 N--CA 1.43 -1.746 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -149.82 109.33 4.0 Favored 'General case' 0 N--CA 1.425 -1.689 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.3 m -84.8 129.29 34.84 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 176.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -140.5 -164.85 1.8 Allowed 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -175.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.6 m -101.32 -60.48 1.52 Allowed 'General case' 0 N--CA 1.438 -1.062 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 84.1 mt -108.07 -38.99 5.64 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.472 0.653 . . . . 0.0 110.215 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.456 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 22.6 p -80.37 13.05 2.59 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -172.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 m -57.87 -65.45 0.64 Allowed 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.888 0.375 . . . . 0.0 110.545 -177.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 59.2 m -89.5 -5.25 57.47 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.456 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 46.2 ttp180 -94.01 3.82 54.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.969 0.414 . . . . 0.0 111.411 -174.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -104.52 167.25 9.86 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.864 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.5 m -73.44 -1.52 18.7 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -173.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -82.48 -4.35 57.35 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.4 t -97.22 113.26 62.9 Favored Pre-proline 0 N--CA 1.437 -1.103 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -59.11 -35.46 97.95 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.102 2.535 . . . . 0.0 112.599 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.3 m -60.43 -55.35 34.64 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 123.36 0.664 . . . . 0.0 110.287 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -52.03 -54.83 25.28 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.045 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -64.4 -34.62 78.6 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.017 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.4 m -97.13 19.72 12.5 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 60.77 39.11 17.64 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -128.66 150.68 50.13 Favored 'General case' 0 CA--C 1.491 -1.323 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 p -79.29 162.21 25.78 Favored 'General case' 0 N--CA 1.417 -2.08 0 CA-C-N 113.563 -1.653 . . . . 0.0 110.662 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 88.3 m -90.06 75.71 7.07 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-O 122.36 1.076 . . . . 0.0 110.765 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.18 102.26 11.76 Favored 'General case' 0 C--N 1.286 -2.177 0 CA-C-N 113.877 -1.51 . . . . 0.0 110.089 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.74 14.28 27.62 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.129 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.1 m -94.18 171.31 8.92 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 120.997 0.427 . . . . 0.0 110.642 -176.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -119.77 44.69 2.33 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 174.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 12.1 p -88.7 140.85 29.03 Favored 'General case' 0 N--CA 1.423 -1.788 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.261 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.6 t -118.8 116.92 52.66 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.18 42.37 8.05 Favored Glycine 0 N--CA 1.428 -1.866 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -178.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.508 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 12.8 t -79.08 110.05 13.96 Favored 'General case' 0 N--CA 1.414 -2.272 0 CA-C-N 114.763 -0.718 . . . . 0.0 112.039 -176.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 25' ' ' LEU . 12.7 mptt -112.47 93.72 4.57 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 105.152 -2.166 . . . . 0.0 105.152 166.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -110.27 116.98 52.38 Favored Pre-proline 0 C--N 1.296 -1.755 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -76.09 -8.11 18.59 Favored 'Trans proline' 0 C--O 1.239 0.527 0 C-N-CA 122.922 2.415 . . . . 0.0 112.76 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -88.44 82.07 7.06 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -89.59 132.92 34.86 Favored 'General case' 0 C--N 1.285 -2.216 0 N-CA-C 104.081 -2.562 . . . . 0.0 104.081 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.18 125.69 24.64 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 118.795 0.725 . . . . 0.0 111.664 -175.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.91 100.68 2.49 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.009 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -124.21 91.71 3.51 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.299 -1.626 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.662 -179.248 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.239 0.525 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -61.21 118.85 5.75 Favored 'Trans proline' 0 C--O 1.245 0.831 0 C-N-CA 122.919 2.412 . . . . 0.0 113.032 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -70.61 145.31 51.93 Favored 'Trans proline' 0 C--O 1.249 1.052 0 C-N-CA 122.543 2.162 . . . . 0.0 109.656 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HZ2' ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -97.95 117.01 65.61 Favored Pre-proline 0 N--CA 1.434 -1.245 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.969 -177.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 52.3 Cg_exo -56.94 150.91 52.45 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.454 2.769 . . . . 0.0 113.931 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -126.55 152.81 46.07 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.5 p -138.51 169.31 18.02 Favored 'General case' 0 C--O 1.259 1.559 0 CA-C-O 121.022 0.439 . . . . 0.0 111.297 -175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -123.12 28.38 7.18 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.679 -1.146 . . . . 0.0 108.354 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.516 ' HB3' HG22 ' A' ' 27' ' ' THR . 86.3 m -52.98 134.05 37.99 Favored 'General case' 0 C--O 1.213 -0.863 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.865 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.92 -40.06 2.67 Favored Glycine 0 C--N 1.294 -1.789 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.1 mt -89.07 -41.54 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.098 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 174.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.9 m -153.42 110.72 3.48 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.548 -1.206 . . . . 0.0 109.201 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -174.87 -60.76 0.05 OUTLIER Glycine 0 C--N 1.312 -0.805 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 177.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.0 p -169.03 160.33 9.87 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.5 t -91.16 80.52 5.63 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -155.05 147.85 24.45 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 p -105.51 -11.58 16.34 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -176.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -124.16 -47.76 1.88 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.512 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -85.21 12.52 7.83 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 121.681 -0.637 . . . . 0.0 110.519 -176.742 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.516 HG22 ' HB3' ' A' ' 16' ' ' CYS . 1.9 m -53.51 -62.84 1.39 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.025 1.73 . . . . 0.0 111.556 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -87.94 -4.58 58.81 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.338 0.589 . . . . 0.0 112.515 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.512 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 69.1 ttt180 -94.94 7.31 46.44 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.8 -175.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -119.12 168.68 10.62 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -74.55 -1.05 19.7 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -171.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -84.18 -12.44 54.89 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-O 121.525 0.679 . . . . 0.0 109.815 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.8 t -84.34 114.57 55.59 Favored Pre-proline 0 N--CA 1.434 -1.26 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 175.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.63 -27.09 84.11 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 123.073 2.515 . . . . 0.0 112.355 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.6 m -66.66 -61.69 1.84 Allowed 'General case' 0 CA--C 1.506 -0.738 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.378 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -53.41 -45.9 69.52 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.212 1.005 . . . . 0.0 110.77 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -66.79 -25.06 66.28 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.796 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.3 m -103.0 15.98 27.93 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.391 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 65.97 21.66 11.3 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.157 0.983 . . . . 0.0 112.091 176.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -103.74 163.06 12.57 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -177.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.3 p -91.27 170.21 10.18 Favored 'General case' 0 N--CA 1.418 -2.058 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.408 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 99.0 m -102.46 71.31 1.2 Allowed 'General case' 0 N--CA 1.418 -2.068 0 CA-C-O 121.817 0.818 . . . . 0.0 110.867 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.5 112.67 24.38 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 114.35 -1.295 . . . . 0.0 108.024 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.47 13.27 42.02 Favored Glycine 0 C--N 1.305 -1.172 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -175.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.9 m -96.31 165.47 12.19 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -120.54 27.09 8.76 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.1 p -69.88 144.07 52.61 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 113.774 -1.557 . . . . 0.0 112.075 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.96 127.33 71.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.09 47.25 11.48 Favored Glycine 0 CA--C 1.505 -0.544 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.1 t -91.34 110.07 21.36 Favored 'General case' 0 N--CA 1.409 -2.481 0 CA-C-O 121.279 0.561 . . . . 0.0 112.149 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 94.31 4.81 Favored 'General case' 0 N--CA 1.417 -2.104 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 167.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -107.5 117.78 54.98 Favored Pre-proline 0 C--N 1.289 -2.061 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.78 -21.95 71.83 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.214 2.609 . . . . 0.0 112.575 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -84.97 93.27 8.53 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.4 88.84 5.23 Favored 'General case' 0 C--N 1.282 -2.347 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 176.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -94.69 85.05 4.36 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.272 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -173.54 113.35 0.21 Allowed 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.295 23.0 p90 -78.04 70.3 4.38 Favored 'General case' 0 C--N 1.29 -2.016 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -172.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.421 -1.902 0 N-CA-C 104.524 -2.398 . . . . 0.0 104.524 174.244 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.0 m . . . . . 0 N--CA 1.437 -1.109 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.86 165.11 30.64 Favored 'Trans proline' 0 C--O 1.247 0.973 0 C-N-CA 122.344 2.03 . . . . 0.0 111.883 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.93 151.4 81.46 Favored 'Trans proline' 0 C--O 1.243 0.769 0 C-N-CA 122.753 2.302 . . . . 0.0 110.903 175.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -74.36 122.31 87.22 Favored Pre-proline 0 C--N 1.305 -1.342 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.325 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -70.29 144.47 51.32 Favored 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 122.061 1.841 . . . . 0.0 108.665 171.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -109.49 133.08 53.52 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 p -120.72 161.11 21.99 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.694 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -126.53 34.1 4.87 Favored 'General case' 0 C--O 1.247 0.959 0 C-N-CA 124.059 0.943 . . . . 0.0 108.809 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 20' ' ' GLY . 64.2 m -57.23 129.36 41.44 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.421 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.52 -33.86 6.06 Favored Glycine 0 N--CA 1.431 -1.699 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.912 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.8 mt -87.86 -54.98 6.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.381 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.5 p -136.34 -47.08 0.63 Allowed 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.172 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.55 ' O ' ' HA ' ' A' ' 16' ' ' CYS . . . -78.33 144.25 28.06 Favored Glycine 0 N--CA 1.431 -1.69 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 178.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.2 m 69.02 117.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.165 0.986 . . . . 0.0 112.067 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m -78.6 -29.65 46.16 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.139 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.488 ' HB3' ' HB ' ' A' ' 26' ' ' THR . 18.2 m120 -67.24 109.68 3.19 Favored 'General case' 0 CA--C 1.498 -1.036 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 173.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -91.12 -15.34 29.58 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.394 0.616 . . . . 0.0 110.678 -175.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.0 mt -106.71 -35.58 6.96 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.778 0.799 . . . . 0.0 108.991 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.488 ' HB ' ' HB3' ' A' ' 23' ' ' ASN . 2.8 m -98.95 34.74 2.03 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.618 ' OG1' ' HA ' ' A' ' 50' ' ' CYS . 1.0 OUTLIER -46.04 -65.04 0.61 Allowed 'General case' 0 C--O 1.209 -1.073 0 C-N-CA 126.167 1.787 . . . . 0.0 113.84 -174.311 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 71.6 m -88.95 -4.16 58.52 Favored 'General case' 0 C--N 1.278 -2.54 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 49.2 ttt180 -108.1 28.79 7.92 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.797 0.808 . . . . 0.0 110.73 -175.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -127.83 167.63 16.29 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -63.72 -15.29 58.12 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -173.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -89.84 -0.93 57.85 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.65 -0.656 . . . . 0.0 111.773 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.0 t -91.99 118.82 68.41 Favored Pre-proline 0 C--O 1.243 0.724 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.582 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.71 -31.44 86.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 122.857 2.371 . . . . 0.0 112.447 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.8 m -64.61 -55.02 22.95 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 79.3 t80 -54.27 -52.24 62.04 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 124.498 1.119 . . . . 0.0 111.749 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -70.29 -26.52 63.84 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.461 -174.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 t -94.49 1.45 55.73 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.435 0.636 . . . . 0.0 109.396 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 64.27 33.27 11.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.612 1.165 . . . . 0.0 112.568 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -111.82 165.29 12.19 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.923 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -96.05 167.6 11.12 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 124.193 0.997 . . . . 0.0 113.127 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 91.2 m -94.69 75.87 3.71 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.542 -0.753 . . . . 0.0 112.213 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.58 109.38 21.02 Favored 'General case' 0 C--N 1.277 -2.574 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.463 172.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.46 12.87 56.67 Favored Glycine 0 C--O 1.24 0.513 0 C-N-CA 121.374 -0.441 . . . . 0.0 112.586 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.0 m -82.37 167.38 18.57 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 120.801 0.334 . . . . 0.0 111.054 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -114.28 11.71 17.46 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.5 p -72.91 142.98 47.88 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.823 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 t -111.22 124.48 68.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.474 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.55 54.68 35.12 Favored Glycine 0 CA--C 1.497 -1.062 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.618 ' HA ' ' OG1' ' A' ' 27' ' ' THR . 11.3 p -89.1 131.68 35.14 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.785 -176.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 48.9 mmtm -106.2 95.12 5.55 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 171.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -109.72 119.82 46.7 Favored Pre-proline 0 C--N 1.294 -1.846 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -56.33 -31.03 83.34 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.998 2.466 . . . . 0.0 111.376 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -86.11 99.64 11.64 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.319 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -114.92 20.53 15.04 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 122.524 1.154 . . . . 0.0 108.253 175.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.23 140.67 57.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.389 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 t70 77.22 -30.04 0.17 Allowed 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 124.069 0.948 . . . . 0.0 112.599 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -88.76 77.87 7.77 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-O 121.85 0.833 . . . . 0.0 109.072 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--N 1.306 -1.314 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.689 -179.817 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.434 -1.27 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -84.01 161.19 13.73 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.806 2.338 . . . . 0.0 111.619 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -52.52 130.4 36.27 Favored 'Trans proline' 0 C--O 1.256 1.38 0 C-N-CA 122.866 2.378 . . . . 0.0 110.949 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -130.03 140.15 37.8 Favored Pre-proline 0 C--N 1.307 -1.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.216 -174.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -71.57 142.53 40.44 Favored 'Trans proline' 0 C--O 1.242 0.682 0 C-N-CA 122.49 2.127 . . . . 0.0 111.884 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -112.46 119.68 39.06 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 121.439 0.637 . . . . 0.0 109.716 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -91.79 157.8 16.69 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.586 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.573 ' HD2' ' O ' ' A' ' 15' ' ' ARG . 3.0 tmm_? -124.96 41.13 3.59 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.584 ' HB3' HG22 ' A' ' 27' ' ' THR . 73.0 m -65.22 138.35 58.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 113.679 -1.6 . . . . 0.0 110.831 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.1 -48.2 1.05 Allowed Glycine 0 CA--C 1.497 -1.052 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 174.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.0 mt -68.13 -38.34 79.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.437 0.637 . . . . 0.0 109.981 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 15' ' ' ARG . 26.3 t -145.68 164.99 30.04 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.42 -64.15 1.12 Allowed Glycine 0 N--CA 1.437 -1.289 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.3 t -155.35 132.94 11.18 Favored 'General case' 0 N--CA 1.421 -1.898 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.9 m -87.48 93.56 9.45 Favored 'General case' 0 N--CA 1.427 -1.617 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -148.92 138.15 21.61 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.1 m -111.26 1.66 17.29 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.638 0.732 . . . . 0.0 110.585 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.1 mt -97.92 -58.02 2.09 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -169.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 p -122.32 16.72 10.61 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 120.837 0.351 . . . . 0.0 111.249 -174.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.584 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -47.95 -64.82 0.69 Allowed 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 126.049 1.74 . . . . 0.0 113.583 -174.461 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.7 m -87.34 -4.84 59.06 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 24.9 ttt180 -91.63 -7.09 51.01 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.984 0.421 . . . . 0.0 111.715 -175.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -107.51 173.96 6.09 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.503 -177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -66.75 -4.47 9.14 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -173.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -88.46 -0.87 57.67 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.329 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.8 t -101.15 113.76 65.8 Favored Pre-proline 0 N--CA 1.415 -2.176 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -62.04 -23.95 76.18 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 122.86 2.373 . . . . 0.0 112.08 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.1 m -69.38 -61.23 1.87 Allowed 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.732 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -52.58 -48.67 66.08 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 123.772 0.829 . . . . 0.0 111.954 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -34.18 75.73 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.604 -175.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -97.55 18.58 15.12 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 69.93 17.01 7.58 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.648 1.179 . . . . 0.0 113.95 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -94.26 170.02 9.81 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 121.443 0.64 . . . . 0.0 112.027 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.0 p -101.58 165.22 11.35 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.074 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.635 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 65.9 m -106.06 14.69 27.46 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.42 ' HB3' ' OD1' ' A' ' 57' ' ' ASP . . . -74.48 109.23 7.79 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 173.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.13 11.86 24.99 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.151 -177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.635 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 75.2 m -97.4 -175.35 3.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.218 0.532 . . . . 0.0 110.876 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -118.45 36.57 4.34 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 7.5 p -93.41 130.51 39.19 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.443 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.6 t -113.51 123.89 69.61 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.185 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.56 36.68 10.31 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 108.986 -1.646 . . . . 0.0 108.986 -176.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.4 t -79.56 110.07 14.53 Favored 'General case' 0 N--CA 1.401 -2.924 0 CA-C-N 114.557 -0.822 . . . . 0.0 110.494 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 74.7 mmtt -114.75 93.06 4.16 Favored 'General case' 0 N--CA 1.409 -2.497 0 N-CA-C 104.143 -2.54 . . . . 0.0 104.143 168.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -111.21 114.73 53.22 Favored Pre-proline 0 C--N 1.291 -1.945 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -59.01 -5.08 2.45 Favored 'Trans proline' 0 CA--C 1.547 1.14 0 C-N-CA 124.278 3.319 . . . . 0.0 114.701 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -92.31 138.31 31.63 Favored 'General case' 0 CA--C 1.486 -1.488 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.38 177.65 5.77 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 123.635 0.584 . . . . 0.0 111.264 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -77.1 167.8 21.16 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.772 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.42 ' OD1' ' HB3' ' A' ' 43' ' ' ALA . 3.5 m-20 -64.18 141.97 58.58 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.703 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -86.8 77.97 9.17 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 122.437 1.113 . . . . 0.0 110.112 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.303 -1.425 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.964 -177.019 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.8 m . . . . . 0 N--CA 1.443 -0.812 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 97.5 Cg_endo -85.94 157.55 10.12 Favored 'Trans proline' 0 CA--C 1.548 1.197 0 C-N-CA 122.885 2.39 . . . . 0.0 112.828 -176.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 9' ' ' PRO . 13.8 Cg_exo -70.63 127.25 13.65 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.406 2.071 . . . . 0.0 110.136 175.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -94.32 136.85 23.03 Favored Pre-proline 0 C--N 1.298 -1.632 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.594 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.94 132.46 18.37 Favored 'Trans proline' 0 N--CA 1.439 -1.723 0 C-N-CA 121.226 1.284 . . . . 0.0 109.031 167.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -108.12 112.07 24.42 Favored 'General case' 0 C--N 1.274 -2.696 0 CA-C-O 121.63 0.729 . . . . 0.0 109.733 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 p -81.09 145.08 31.27 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.777 -174.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -108.91 34.75 3.53 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.78 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.564 ' HB3' HG22 ' A' ' 27' ' ' THR . 99.6 m -54.13 144.4 19.83 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 114.259 -1.337 . . . . 0.0 110.838 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.01 -43.24 2.05 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.9 mt -89.59 -47.67 14.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 m -80.76 -12.52 59.44 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.556 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 174.07 155.06 11.44 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.354 -0.927 . . . . 0.0 111.119 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 m -149.42 101.26 3.09 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.9 t -81.18 -55.42 4.76 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -149.11 119.6 7.41 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.6 m -65.97 -10.14 36.57 Favored 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -173.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.1 mp -97.88 -5.06 35.35 Favored 'General case' 0 C--N 1.311 -1.108 0 O-C-N 121.304 -0.872 . . . . 0.0 110.098 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m -137.38 18.23 2.93 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-O 121.212 0.529 . . . . 0.0 109.793 -177.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.564 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.9 OUTLIER -53.81 -58.3 7.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.996 0.919 . . . . 0.0 111.219 -177.046 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 84.4 m -87.91 -3.92 58.88 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 115.357 -0.838 . . . . 0.0 113.171 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 69.3 ttt180 -102.16 9.93 39.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.493 0.663 . . . . 0.0 110.893 -175.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -114.15 165.73 12.35 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.839 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.1 m -59.21 -19.67 47.39 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 124.541 1.137 . . . . 0.0 113.776 -174.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -84.55 1.26 46.64 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.4 t -98.33 123.88 48.92 Favored Pre-proline 0 C--N 1.313 -1.021 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.21 -15.58 50.85 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.887 2.391 . . . . 0.0 112.666 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.534 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 93.6 m -80.42 -59.41 2.71 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.495 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.545 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 78.5 t80 -51.98 -55.45 20.32 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 123.851 0.86 . . . . 0.0 112.095 -179.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -71.19 -30.44 66.41 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.289 -172.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.5 m -103.88 14.68 30.31 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 64.75 33.25 10.49 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.534 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 47.9 m-80 -100.54 161.67 13.45 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 p -98.35 149.25 22.83 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.327 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.8 m -91.37 69.62 5.97 Favored 'General case' 0 CA--C 1.491 -1.325 0 CA-C-O 122.139 0.971 . . . . 0.0 110.47 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.54 108.68 10.42 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.53 8.02 44.22 Favored Glycine 0 C--N 1.3 -1.465 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -175.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 78.3 m -95.21 156.78 16.18 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -108.25 27.59 9.16 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.744 0.783 . . . . 0.0 109.757 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 7.6 p -72.1 131.55 42.98 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.939 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.4 t -104.58 126.52 59.37 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-N 114.256 -1.338 . . . . 0.0 107.775 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.01 51.44 7.65 Favored Glycine 0 N--CA 1.44 -1.048 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.43 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 7.2 t -92.27 123.83 35.89 Favored 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 115.254 -0.473 . . . . 0.0 111.21 -176.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 75.6 mmtt -122.51 93.77 4.08 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 167.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -111.55 118.53 46.93 Favored Pre-proline 0 C--N 1.287 -2.134 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -71.28 -13.14 30.67 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 122.068 1.845 . . . . 0.0 111.109 175.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -96.14 98.5 10.38 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 121.724 0.773 . . . . 0.0 109.655 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.606 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -91.99 171.91 8.8 Favored 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 174.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -78.83 99.61 6.8 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-O 121.859 0.838 . . . . 0.0 112.334 -172.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -89.28 115.38 26.72 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 114.392 -1.276 . . . . 0.0 107.654 176.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -146.8 126.12 13.09 Favored 'General case' 0 C--N 1.264 -3.137 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -177.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.431 -1.381 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.29 179.771 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.441 -0.924 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -61.62 149.93 87.71 Favored 'Trans proline' 0 C--O 1.251 1.169 0 C-N-CA 122.29 1.993 . . . . 0.0 110.055 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.37 126.86 23.64 Favored 'Trans proline' 0 C--O 1.243 0.774 0 C-N-CA 122.211 1.941 . . . . 0.0 111.063 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 26.4 pttm -111.48 148.76 39.5 Favored Pre-proline 0 N--CA 1.43 -1.44 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.479 -177.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 16.4 Cg_exo -66.35 146.13 79.71 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.808 2.339 . . . . 0.0 112.013 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 9.9 mptt -112.62 114.21 26.72 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.0 p -93.21 153.37 18.65 Favored 'General case' 0 C--N 1.281 -2.385 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.687 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 15' ' ' ARG . 3.7 mpt_? -110.61 32.54 5.13 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.502 ' HB3' HG22 ' A' ' 27' ' ' THR . 95.9 m -55.21 136.67 48.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.259 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.545 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . 101.35 -41.27 2.18 Favored Glycine 0 C--N 1.294 -1.78 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.2 mt -81.14 -45.86 20.76 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 172.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.469 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 13.3 m -120.99 101.55 7.76 Favored 'General case' 0 N--CA 1.415 -2.182 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 172.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.77 86.68 0.12 Allowed Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.11 -1.043 . . . . 0.0 112.15 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 p -87.81 -15.6 36.41 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.435 0.635 . . . . 0.0 111.019 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.418 ' OG ' ' HD2' ' A' ' 32' ' ' ARG . 13.0 m -93.42 53.81 1.96 Allowed 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.868 -175.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 73.27 118.43 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.891 1.276 . . . . 0.0 111.861 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 p -74.0 -4.95 38.43 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -97.69 -15.13 20.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.995 0.426 . . . . 0.0 109.954 177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -134.56 26.37 3.73 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 -174.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.502 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -47.2 -64.34 0.81 Allowed 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 126.123 1.769 . . . . 0.0 112.8 -174.03 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 100.0 m -88.27 -4.75 58.65 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.555 178.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 71.1 ttt180 -102.13 22.11 13.74 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.648 0.737 . . . . 0.0 111.171 -171.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -129.14 164.95 22.25 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.583 -0.698 . . . . 0.0 109.584 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 p -68.7 -1.35 6.77 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -173.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' HD2' ' OG ' ' A' ' 22' ' ' SER . 98.6 mtt180 -95.24 -8.77 35.12 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.802 -0.561 . . . . 0.0 110.134 177.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.5 t -84.19 120.64 74.88 Favored Pre-proline 0 C--O 1.246 0.91 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.03 -23.68 73.98 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.198 2.599 . . . . 0.0 113.114 -175.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.3 m -76.55 -61.97 1.78 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.678 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 74.8 t80 -46.0 -55.44 6.85 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.63 1.572 . . . . 0.0 112.0 -178.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.586 ' O ' ' HE3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -63.79 -38.31 90.64 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.579 -175.568 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.1 m -90.8 15.59 10.92 Favored 'General case' 0 C--N 1.31 -1.145 0 O-C-N 122.094 -0.379 . . . . 0.0 112.008 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 65.45 21.23 11.83 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.257 1.023 . . . . 0.0 111.722 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -100.16 156.23 17.31 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.838 0.828 . . . . 0.0 111.314 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.462 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . 2.4 p -93.69 172.06 8.49 Favored 'General case' 0 C--N 1.277 -2.567 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.607 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 69.8 m -111.43 14.71 21.48 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.24 111.94 5.5 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 174.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.07 -15.59 33.35 Favored Glycine 0 N--CA 1.434 -1.469 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.539 -174.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 73.2 m -76.95 152.42 35.29 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 175.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -94.67 19.28 10.15 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.111 0.481 . . . . 0.0 110.364 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 7.7 p -67.95 130.79 44.05 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.824 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.545 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 31.6 t -109.24 119.49 58.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -177.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.25 43.03 5.71 Favored Glycine 0 C--N 1.299 -1.507 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 -174.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.484 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 5.4 t -90.08 119.78 30.71 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 114.689 -0.756 . . . . 0.0 111.183 -177.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 31.7 mmmt -117.93 93.87 4.3 Favored 'General case' 0 C--N 1.288 -2.106 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 171.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -111.63 116.11 50.68 Favored Pre-proline 0 C--N 1.296 -1.732 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.82 -2.3 12.44 Favored 'Trans proline' 0 CA--C 1.55 1.31 0 C-N-CA 122.569 2.179 . . . . 0.0 112.472 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -101.05 147.51 26.12 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 176.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HD3' ' N ' ' A' ' 56' ' ' GLU . 5.3 tmtt? -158.36 137.67 11.69 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -176.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.48 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -81.18 94.5 6.68 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 175.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -121.67 135.26 54.97 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.195 -171.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -81.05 116.94 21.24 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 121.435 0.636 . . . . 0.0 111.035 -177.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t . . . . . 0 C--N 1.297 -1.705 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.189 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.445 -0.7 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 93.3 Cg_endo -80.51 118.97 3.63 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.296 1.997 . . . . 0.0 112.34 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 9' ' ' PRO . 7.7 Cg_exo -74.51 153.11 44.16 Favored 'Trans proline' 0 C--O 1.251 1.164 0 C-N-CA 122.046 1.831 . . . . 0.0 110.068 174.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -85.14 163.84 43.84 Favored Pre-proline 0 C--N 1.296 -1.76 0 CA-C-O 118.469 -0.777 . . . . 0.0 109.497 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -48.99 144.42 15.67 Favored 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.721 2.281 . . . . 0.0 113.636 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HB2' ' HA ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -118.81 153.08 35.07 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.446 -1.252 . . . . 0.0 113.137 -172.432 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.2 p -129.46 163.64 25.44 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.509 -174.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -115.21 32.36 6.1 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.037 0.935 . . . . 0.0 109.984 177.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.0 m -60.01 144.67 48.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.063 0.459 . . . . 0.0 111.306 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.04 -31.41 8.27 Favored Glycine 0 C--N 1.302 -1.335 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.3 mt -89.21 -54.84 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.551 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 176.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 m -67.91 106.04 2.18 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.101 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.97 -18.45 55.77 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.876 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.0 t 59.72 -83.56 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.913 1.285 . . . . 0.0 112.61 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t -84.95 90.31 7.79 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-O 121.645 0.736 . . . . 0.0 110.399 -177.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.416 HD22 ' HA ' ' A' ' 27' ' ' THR . 4.2 t30 -155.18 26.57 0.41 Allowed 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 103.691 -2.707 . . . . 0.0 103.691 174.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.5 m -58.17 -32.46 68.24 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 112.97 -1.923 . . . . 0.0 114.016 -169.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.408 HD23 ' H ' ' A' ' 25' ' ' LEU . 2.2 pt? -76.12 -26.99 56.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -177.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 p -132.99 31.31 3.89 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 122.141 -0.35 . . . . 0.0 111.353 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.437 ' OG1' ' HA ' ' A' ' 50' ' ' CYS . 0.3 OUTLIER -50.51 -65.99 0.46 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.847 0.859 . . . . 0.0 112.768 -175.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 93.3 m -89.45 -5.99 56.89 Favored 'General case' 0 N--CA 1.416 -2.156 0 CA-C-N 114.825 -1.08 . . . . 0.0 113.773 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -99.71 29.67 4.01 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.819 -171.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -133.29 174.2 10.64 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 121.735 -0.603 . . . . 0.0 109.668 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -70.66 -2.82 15.64 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -173.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -90.85 -10.14 43.78 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.376 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 50.8 t -94.04 117.37 67.16 Favored Pre-proline 0 N--CA 1.429 -1.48 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.096 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.76 -4.23 10.79 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 123.733 2.955 . . . . 0.0 112.847 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.579 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 71.7 m -89.24 -68.14 0.79 Allowed 'General case' 0 N--CA 1.42 -1.931 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.466 178.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -55.21 -51.65 65.89 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -174.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -70.13 -22.14 63.02 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.251 0.548 . . . . 0.0 111.057 -173.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.6 m -100.84 7.01 43.93 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.013 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 63.46 34.26 12.94 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.579 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 87.8 m-20 -103.46 168.4 9.18 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.223 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.1 p -108.46 169.08 8.87 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 122.798 0.439 . . . . 0.0 109.958 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.497 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 89.4 m -93.67 72.23 4.26 Favored 'General case' 0 N--CA 1.434 -1.253 0 CA-C-O 121.789 0.804 . . . . 0.0 110.69 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.76 104.27 13.21 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.22 177.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.67 14.31 47.4 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 119.976 -1.107 . . . . 0.0 111.324 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.502 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 78.0 m -81.95 168.13 18.2 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.263 0.554 . . . . 0.0 111.99 -178.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -119.86 29.05 7.75 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.2 p -92.54 150.97 20.42 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.696 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -121.57 123.19 68.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.386 -177.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.76 42.01 87.75 Favored Glycine 0 C--O 1.249 1.083 0 O-C-N 123.39 0.431 . . . . 0.0 112.208 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.437 ' HA ' ' OG1' ' A' ' 27' ' ' THR . 8.1 p -85.04 138.59 32.34 Favored 'General case' 0 N--CA 1.426 -1.644 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.019 -174.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -106.67 94.24 5.02 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 171.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -111.01 120.42 43.41 Favored Pre-proline 0 N--CA 1.428 -1.557 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -60.15 -22.75 71.26 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.483 2.122 . . . . 0.0 111.925 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -86.83 80.51 8.47 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 120.998 0.428 . . . . 0.0 111.562 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -110.91 74.83 0.89 Allowed 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 105.07 -2.196 . . . . 0.0 105.07 168.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' A' ' 56' ' ' GLU . 7.4 pt-20 -70.38 93.35 0.86 Allowed 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 113.048 -1.887 . . . . 0.0 113.088 -173.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -102.33 162.04 13.23 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 114.449 -1.251 . . . . 0.0 107.69 176.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -78.79 86.29 4.73 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-O 121.406 0.622 . . . . 0.0 109.604 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.298 -1.632 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.336 179.091 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.439 -0.989 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.34 132.14 20.28 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.252 1.968 . . . . 0.0 112.38 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -61.13 126.64 19.95 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 121.896 1.731 . . . . 0.0 108.522 173.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -132.39 159.75 71.03 Favored Pre-proline 0 C--N 1.3 -1.564 0 CA-C-O 118.562 -0.732 . . . . 0.0 109.405 -173.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -48.49 132.97 25.56 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 123.259 2.64 . . . . 0.0 114.929 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -134.46 152.85 52.06 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 113.494 -1.684 . . . . 0.0 107.144 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.0 p -137.51 170.54 15.89 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 120.883 0.373 . . . . 0.0 111.561 -173.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -127.71 27.58 5.74 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.194 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.47 ' HB3' HG22 ' A' ' 27' ' ' THR . 64.1 m -56.97 106.92 0.35 Allowed 'General case' 0 C--O 1.211 -0.962 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.219 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.11 -37.09 2.01 Favored Glycine 0 C--N 1.292 -1.879 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.3 mm -76.81 -55.11 11.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 175.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.1 m -158.96 158.36 33.13 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.23 19.56 74.25 Favored Glycine 0 C--O 1.244 0.746 0 N-CA-C 110.224 -1.15 . . . . 0.0 110.224 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -69.06 113.06 6.1 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 124.08 0.952 . . . . 0.0 110.326 -177.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.644 ' O ' ' HA ' ' A' ' 27' ' ' THR . 8.4 m -110.12 108.5 18.7 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 79.6 165.77 0.19 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 125.032 1.333 . . . . 0.0 109.529 -173.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 t -110.58 -29.43 8.05 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.563 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -105.41 -44.43 4.72 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.44 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 5.6 m -87.15 25.15 1.41 Allowed 'General case' 0 CA--C 1.569 1.688 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.062 -178.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.644 ' HA ' ' O ' ' A' ' 22' ' ' SER . 1.0 OUTLIER -52.24 -65.18 0.6 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.969 1.308 . . . . 0.0 112.367 -174.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 99.5 m -88.5 -4.4 58.62 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.148 177.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 62.4 ttt-85 -91.18 -1.14 57.78 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.577 -175.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -112.78 162.76 15.4 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.506 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m -67.59 -5.14 14.11 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -174.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -86.58 -3.58 59.05 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.422 0.63 . . . . 0.0 109.434 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.3 t -94.75 127.67 42.55 Favored Pre-proline 0 N--CA 1.439 -1.02 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.53 -35.13 83.5 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.517 2.145 . . . . 0.0 112.594 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.5 m -64.47 -57.67 8.57 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.581 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.427 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 86.9 t80 -52.16 -51.31 58.76 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 123.881 0.872 . . . . 0.0 111.803 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -64.13 -37.93 89.22 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 123.897 0.748 . . . . 0.0 110.366 -174.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.4 m -87.76 8.42 25.77 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 70.43 24.05 4.73 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.063 0.945 . . . . 0.0 112.948 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -103.92 161.37 14.03 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.241 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.0 p -100.76 168.87 9.39 Favored 'General case' 0 C--N 1.286 -2.161 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.495 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.5 m -95.27 73.27 3.33 Favored 'General case' 0 N--CA 1.418 -2.074 0 CA-C-O 122.33 1.062 . . . . 0.0 110.778 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.74 110.93 18.44 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 112.818 -1.992 . . . . 0.0 107.179 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.47 13.64 40.77 Favored Glycine 0 C--N 1.307 -1.057 0 C-N-CA 120.364 -0.922 . . . . 0.0 111.027 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.6 m -96.58 170.6 9.09 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 123.01 0.524 . . . . 0.0 109.713 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -120.07 44.34 2.45 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.969 0.89 . . . . 0.0 108.689 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.4 p -93.06 151.23 20.0 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.451 -1.249 . . . . 0.0 110.275 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.9 t -129.75 130.43 66.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.7 45.73 9.2 Favored Glycine 0 CA--C 1.5 -0.856 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.3 t -98.47 110.29 22.9 Favored 'General case' 0 N--CA 1.413 -2.299 0 CA-C-N 114.599 -0.8 . . . . 0.0 112.944 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 55.0 mtpt -113.54 95.3 5.28 Favored 'General case' 0 C--N 1.279 -2.492 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 167.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -106.13 115.08 61.74 Favored Pre-proline 0 C--N 1.298 -1.636 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.492 ' CG ' ' HG3' ' A' ' 29' ' ' ARG . 32.1 Cg_exo -62.11 -13.8 33.92 Favored 'Trans proline' 0 N--CA 1.478 0.566 0 C-N-CA 123.283 2.656 . . . . 0.0 113.208 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -94.24 136.88 34.04 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.81 115.96 11.74 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -83.93 85.45 7.32 Favored 'General case' 0 N--CA 1.413 -2.314 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -71.34 88.64 0.87 Allowed 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 113.855 -1.521 . . . . 0.0 108.571 -176.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -93.03 109.07 20.52 Favored 'General case' 0 C--N 1.267 -3.004 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.016 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.425 -1.711 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.613 179.194 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.455 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 16.5 m . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -85.18 107.26 1.03 Allowed 'Trans proline' 0 CA--C 1.549 1.263 0 C-N-CA 122.337 2.025 . . . . 0.0 113.178 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 8' ' ' SER . 98.5 Cg_endo -88.28 167.62 6.48 Favored 'Trans proline' 0 C--O 1.247 0.968 0 C-N-CA 122.564 2.176 . . . . 0.0 111.687 178.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -116.29 140.84 26.98 Favored Pre-proline 0 C--N 1.314 -0.961 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.9 144.24 76.07 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.257 1.971 . . . . 0.0 110.159 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -125.31 150.0 47.54 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 15' ' ' ARG . 28.0 p -128.91 168.0 16.59 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.41 -175.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 14' ' ' CYS . 8.2 mpt_? -120.62 27.55 8.48 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.116 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.445 ' HB3' HG22 ' A' ' 27' ' ' THR . 79.3 m -57.12 115.3 2.56 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.946 178.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . 122.26 -40.42 2.06 Favored Glycine 0 C--N 1.287 -2.185 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -178.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.2 mt -78.41 -43.39 26.69 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 172.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.0 m -133.52 164.87 26.2 Favored 'General case' 0 N--CA 1.424 -1.768 0 CA-C-N 113.626 -1.625 . . . . 0.0 106.967 176.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.9 45.18 3.43 Favored Glycine 0 C--N 1.31 -0.89 0 C-N-CA 119.953 -1.117 . . . . 0.0 112.589 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.4 m -76.91 102.68 6.48 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.2 m -151.68 -45.48 0.11 Allowed 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.422 ' HB3' ' HB ' ' A' ' 26' ' ' THR . 46.1 m-80 -127.22 127.44 44.47 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.5 m -95.11 -30.84 13.84 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.615 0.722 . . . . 0.0 110.927 -175.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.4 mt -95.19 -33.35 12.65 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 122.246 1.022 . . . . 0.0 108.607 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.422 ' HB ' ' HB3' ' A' ' 23' ' ' ASN . 2.2 m -105.22 28.16 7.56 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.187 -176.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.445 HG22 ' HB3' ' A' ' 16' ' ' CYS . 21.3 m -47.54 -64.77 0.7 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.6 m -87.69 -3.8 58.95 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HB2' ' HB2' ' A' ' 51' ' ' LYS . 63.8 ttt180 -98.46 17.39 19.06 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 -171.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -129.6 176.19 8.19 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.156 -0.617 . . . . 0.0 111.255 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 m -62.17 -13.71 30.11 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.381 1.472 . . . . 0.0 114.05 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.38 1.77 57.04 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 122.022 -0.423 . . . . 0.0 111.832 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.9 t -101.33 112.29 64.86 Favored Pre-proline 0 N--CA 1.432 -1.348 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.24 -29.11 86.69 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 123.164 2.576 . . . . 0.0 112.341 -175.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.0 m -68.56 -61.83 1.65 Allowed 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.089 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -53.93 -52.17 61.45 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 124.36 1.037 . . . . 0.0 112.014 -176.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 10.3 tmtt? -63.56 -36.0 82.33 Favored 'General case' 0 N--CA 1.438 -1.05 0 O-C-N 124.059 0.85 . . . . 0.0 109.879 -174.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 m -91.62 16.84 9.71 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 120.971 0.415 . . . . 0.0 110.672 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 65.71 22.55 11.58 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.249 1.42 . . . . 0.0 114.688 173.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -95.75 170.0 9.62 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.648 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.471 ' HA ' ' OD1' ' A' ' 52' ' ' ASN . 32.5 p -96.46 168.87 10.29 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.144 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.536 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 59.8 m -109.52 12.13 24.58 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.191 0.519 . . . . 0.0 111.915 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.27 112.24 7.25 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 174.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.8 -3.65 34.09 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.943 -177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.536 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 72.9 m -82.49 -173.44 4.6 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.236 0.541 . . . . 0.0 109.56 176.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -120.2 26.58 9.14 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 45' ' ' CYS . 7.7 p -77.37 143.79 38.45 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.604 -1.18 . . . . 0.0 112.384 -177.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.403 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 67.0 t -120.01 127.05 75.87 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 C-N-CA 124.546 1.139 . . . . 0.0 108.21 -176.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.52 50.93 18.43 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -175.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.2 t -95.25 118.01 31.26 Favored 'General case' 0 N--CA 1.421 -1.88 0 CA-C-N 114.896 -0.652 . . . . 0.0 112.401 -175.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 29' ' ' ARG . 46.5 mmtm -110.21 94.2 4.89 Favored 'General case' 0 N--CA 1.421 -1.918 0 N-CA-C 105.694 -1.965 . . . . 0.0 105.694 168.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.471 ' OD1' ' HA ' ' A' ' 41' ' ' SER . 25.4 t-20 -111.01 104.99 56.94 Favored Pre-proline 0 C--N 1.293 -1.859 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -61.58 -2.51 2.68 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.303 2.669 . . . . 0.0 114.884 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.416 ' HB2' ' OD1' ' A' ' 52' ' ' ASN . 91.7 m-70 -94.28 138.68 31.99 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.215 0.531 . . . . 0.0 109.725 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -102.86 163.66 12.08 Favored 'General case' 0 C--N 1.282 -2.365 0 C-N-CA 124.49 1.116 . . . . 0.0 108.132 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HA ' ' OE1' ' A' ' 56' ' ' GLU . 6.2 mm-40 -80.92 87.98 5.92 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 121.395 0.617 . . . . 0.0 110.112 173.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -91.51 129.01 37.55 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -140.1 152.84 46.47 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.363 -0.976 . . . . 0.0 108.363 -174.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.305 -1.363 0 CA-C-O 118.438 -0.791 . . . . 0.0 110.327 179.146 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.444 -0.755 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -73.74 132.95 17.89 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 121.889 1.726 . . . . 0.0 110.77 176.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -64.31 126.68 17.49 Favored 'Trans proline' 0 C--O 1.251 1.137 0 C-N-CA 121.991 1.794 . . . . 0.0 110.471 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -69.55 131.95 89.59 Favored Pre-proline 0 C--N 1.313 -1.02 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.513 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -62.4 140.46 82.47 Favored 'Trans proline' 0 N--CA 1.449 -1.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.475 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -106.5 109.58 21.54 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.944 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.7 p -93.12 155.63 17.36 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.839 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -115.9 31.71 6.54 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.817 0.818 . . . . 0.0 110.191 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.1 m -59.62 111.98 1.63 Allowed 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.785 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.41 -38.36 2.23 Favored Glycine 0 C--N 1.294 -1.773 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.5 mt -73.71 -37.36 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 105.458 -2.052 . . . . 0.0 105.458 172.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -129.12 121.0 26.85 Favored 'General case' 0 N--CA 1.412 -2.327 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 172.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.95 65.25 0.02 OUTLIER Glycine 0 C--N 1.306 -1.099 0 C-N-CA 120.062 -1.066 . . . . 0.0 111.896 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -78.05 146.18 35.43 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 m 74.27 -46.56 0.62 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.894 1.277 . . . . 0.0 112.437 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.483 ' O ' HG23 ' A' ' 27' ' ' THR . 7.7 p30 -101.03 84.27 2.64 Favored 'General case' 0 C--O 1.204 -1.32 0 CA-C-O 121.93 0.872 . . . . 0.0 112.191 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.3 m -110.3 -9.02 14.66 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 122.813 1.292 . . . . 0.0 108.248 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.432 HD23 ' H ' ' A' ' 25' ' ' LEU . 1.9 pt? -96.68 -12.58 23.64 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.721 176.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.462 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 6.1 p -136.9 25.44 3.04 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.257 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -52.06 -65.55 0.54 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.543 1.137 . . . . 0.0 111.754 -176.002 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 95.6 m -89.2 -4.47 58.21 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.334 177.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 76.2 ttt180 -94.61 5.75 50.91 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.639 -173.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -118.59 167.1 11.94 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.419 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 m -67.39 -9.45 41.64 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -87.28 -4.12 59.06 Favored 'General case' 0 C--O 1.244 0.798 0 O-C-N 121.903 -0.498 . . . . 0.0 110.823 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 45.1 t -89.43 120.52 69.67 Favored Pre-proline 0 N--CA 1.424 -1.731 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.67 -15.62 49.83 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 123.055 2.503 . . . . 0.0 112.7 -176.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 77.6 m -82.7 -58.28 2.96 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.275 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 75.1 t80 -48.53 -59.91 3.12 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.782 1.233 . . . . 0.0 112.609 -178.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -71.09 -18.04 62.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.911 -173.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.405 ' HB2' HD22 ' A' ' 40' ' ' ASN . 18.0 m -104.14 11.85 34.61 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 120.999 0.428 . . . . 0.0 110.61 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 63.65 28.49 15.04 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.069 0.948 . . . . 0.0 112.709 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.405 HD22 ' HB2' ' A' ' 38' ' ' SER . 52.4 m-80 -100.09 165.84 11.31 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-O 121.534 0.683 . . . . 0.0 110.992 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -101.47 150.92 22.55 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.439 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.448 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 89.2 m -87.21 71.21 10.1 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 121.789 0.804 . . . . 0.0 110.545 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.76 108.49 16.4 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 113.82 -1.536 . . . . 0.0 108.348 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.94 3.2 45.72 Favored Glycine 0 C--N 1.308 -1.015 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 73.8 m -86.49 163.51 17.48 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.39 -0.405 . . . . 0.0 110.343 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -112.02 29.28 8.02 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 8.0 p -79.23 131.55 36.21 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.946 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.6 t -118.09 115.88 49.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.4 41.57 5.74 Favored Glycine 0 C--N 1.3 -1.461 0 N-CA-C 108.058 -2.017 . . . . 0.0 108.058 -173.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 6.7 t -81.05 109.41 15.6 Favored 'General case' 0 N--CA 1.42 -1.949 0 CA-C-N 114.338 -0.931 . . . . 0.0 111.171 -176.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -111.4 93.26 4.38 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 170.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -111.78 116.52 49.87 Favored Pre-proline 0 C--N 1.293 -1.851 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -75.47 1.04 8.4 Favored 'Trans proline' 0 C--N 1.326 -0.623 0 C-N-CA 122.318 2.012 . . . . 0.0 112.978 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -97.3 94.28 6.99 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' HD2' ' O ' ' A' ' 55' ' ' LYS . 1.9 pptp? -89.34 128.03 35.86 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 172.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -90.05 136.89 32.77 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -175.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -136.8 -170.82 2.78 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -106.81 109.76 21.75 Favored 'General case' 0 N--CA 1.411 -2.382 0 CA-C-O 121.234 0.54 . . . . 0.0 110.189 -176.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.3 t . . . . . 0 C--N 1.291 -1.957 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 179.233 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.443 -0.805 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.22 160.4 23.28 Favored 'Trans proline' 0 C--O 1.249 1.043 0 C-N-CA 122.134 1.889 . . . . 0.0 110.746 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.4 127.52 25.81 Favored 'Trans proline' 0 C--O 1.25 1.085 0 C-N-CA 122.272 1.982 . . . . 0.0 111.799 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -77.37 158.42 79.23 Favored Pre-proline 0 C--N 1.31 -1.114 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.92 140.61 96.0 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.163 1.909 . . . . 0.0 111.634 177.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -133.53 152.4 51.9 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.067 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 p -122.4 163.28 20.08 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.674 -176.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -127.44 37.31 4.25 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.031 0.932 . . . . 0.0 109.857 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 35.2 m -64.5 149.02 49.44 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.806 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.58 -27.61 10.5 Favored Glycine 0 C--N 1.294 -1.771 0 C-N-CA 119.544 -1.312 . . . . 0.0 112.895 174.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.4 mt -69.79 -48.32 65.07 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 N-CA-C 105.429 -2.064 . . . . 0.0 105.429 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 t -103.59 122.38 44.85 Favored 'General case' 0 N--CA 1.404 -2.729 0 N-CA-C 103.929 -2.619 . . . . 0.0 103.929 168.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.98 1.54 44.55 Favored Glycine 0 C--N 1.305 -1.16 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.905 -177.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -85.72 -3.26 58.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.921 0.867 . . . . 0.0 110.515 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 p -77.59 -50.85 11.69 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 173.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -177.13 150.82 0.77 Allowed 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 105.801 -1.925 . . . . 0.0 105.801 172.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.8 m -110.77 -60.56 1.8 Allowed 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -177.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.4 mt -88.27 -9.75 51.87 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -169.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 p -131.92 36.73 3.66 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 176.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -41.12 -65.3 0.44 Allowed 'General case' 0 C--O 1.214 -0.786 0 C-N-CA 125.201 1.4 . . . . 0.0 113.634 -176.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.527 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 71.0 m -88.99 -5.02 58.24 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -95.21 -15.13 23.48 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 120.892 0.377 . . . . 0.0 111.634 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -92.87 162.06 14.24 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.502 -177.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 m -66.66 -15.78 63.73 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -173.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -78.38 -11.1 59.92 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.679 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' A' ' 28' ' ' CYS . 53.6 t -88.57 123.31 68.32 Favored Pre-proline 0 N--CA 1.415 -2.183 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 173.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.65 -32.92 96.64 Favored 'Trans proline' 0 CA--C 1.517 -0.371 0 C-N-CA 122.771 2.314 . . . . 0.0 111.586 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.542 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 65.5 m -60.62 -51.34 69.82 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -176.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.505 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 67.1 t80 -61.07 -46.67 89.71 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.081 0.467 . . . . 0.0 111.136 -177.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -75.4 -26.66 58.59 Favored 'General case' 0 N--CA 1.419 -2.007 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -102.85 3.08 36.23 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.691 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 63.9 39.85 7.85 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.656 1.182 . . . . 0.0 110.587 177.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.542 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 11.9 m120 -95.07 151.78 18.9 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.764 -178.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -99.17 148.93 23.58 Favored 'General case' 0 N--CA 1.408 -2.526 0 CA-C-N 115.37 -0.832 . . . . 0.0 108.807 177.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.689 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 67.4 m -87.54 24.72 1.61 Allowed 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -175.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.29 105.66 12.66 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.56 -4.92 34.93 Favored Glycine 0 N--CA 1.43 -1.707 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -176.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.689 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 97.0 m -79.09 156.92 28.11 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -105.49 19.22 20.93 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.594 0.711 . . . . 0.0 111.179 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 6.0 p -72.05 132.58 44.43 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.92 176.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.0 118.15 49.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.895 -177.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.42 52.42 35.54 Favored Glycine 0 N--CA 1.435 -1.403 0 O-C-N 123.961 0.788 . . . . 0.0 111.14 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.4 p -85.77 134.87 33.92 Favored 'General case' 0 N--CA 1.425 -1.68 0 C-N-CA 120.028 -0.669 . . . . 0.0 109.782 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -101.08 93.25 5.39 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 172.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -112.18 118.24 46.29 Favored Pre-proline 0 C--N 1.301 -1.503 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -60.0 -26.89 83.66 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 122.612 2.208 . . . . 0.0 111.884 174.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -80.7 145.53 31.53 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -124.95 148.3 48.45 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.75 134.68 54.67 Favored 'General case' 0 C--O 1.25 1.122 0 O-C-N 123.529 0.518 . . . . 0.0 109.709 176.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -144.72 141.94 29.66 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -58.53 109.69 0.84 Allowed 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -171.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 79.4 t . . . . . 0 C--N 1.304 -1.389 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 173.474 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.0 t . . . . . 0 N--CA 1.44 -0.955 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.86 117.84 4.64 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.021 2.481 . . . . 0.0 112.383 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -68.03 141.6 53.63 Favored 'Trans proline' 0 C--O 1.255 1.346 0 C-N-CA 122.697 2.265 . . . . 0.0 112.122 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' HB2' ' OD1' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -76.14 147.55 80.07 Favored Pre-proline 0 C--N 1.308 -1.213 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.513 177.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HD2' ' OD1' ' A' ' 40' ' ' ASN . 31.6 Cg_exo -57.1 138.92 88.43 Favored 'Trans proline' 0 C--O 1.243 0.764 0 C-N-CA 122.494 2.129 . . . . 0.0 111.229 174.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -135.98 152.32 50.83 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.9 p -137.6 157.02 47.4 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.289 0.566 . . . . 0.0 111.807 -174.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -119.77 38.23 3.97 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.03 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 59.4 m -67.13 161.11 25.33 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.861 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.31 -19.91 31.18 Favored Glycine 0 CA--C 1.494 -1.256 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.963 174.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.4 mt -69.35 -28.63 39.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 122.119 0.961 . . . . 0.0 108.717 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -116.19 89.94 3.22 Favored 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 173.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.4 37.69 2.38 Favored Glycine 0 N--CA 1.429 -1.829 0 C-N-CA 120.188 -1.006 . . . . 0.0 112.809 -175.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.3 m -64.47 -63.97 1.0 Allowed 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.6 t -104.45 -16.89 14.95 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 176.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.474 ' ND2' ' HA ' ' A' ' 27' ' ' THR . 10.7 t30 -94.01 65.47 3.47 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.905 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 m -105.22 -33.95 8.07 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.859 -175.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 7.3 mp -107.59 -37.22 6.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.965 0.888 . . . . 0.0 109.197 177.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -82.87 8.47 12.38 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.852 -176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.474 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 6.8 m -51.37 -66.72 0.34 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.999 1.32 . . . . 0.0 113.375 -173.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 65.2 m -90.58 -5.18 56.23 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 71.0 ttt180 -96.81 23.35 7.17 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.746 -171.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -128.78 164.23 23.47 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.3 m -69.35 -8.97 51.17 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -173.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.498 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.1 mmp_? -86.32 -1.18 57.29 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.688 -0.632 . . . . 0.0 110.995 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.2 t -94.46 118.11 66.98 Favored Pre-proline 0 N--CA 1.43 -1.428 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.66 -34.19 97.77 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.639 2.226 . . . . 0.0 112.532 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.5 m -63.36 -51.2 66.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.743 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -60.02 -44.98 94.25 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.318 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.509 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -78.01 -34.01 50.89 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -177.192 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.1 m -90.95 12.78 18.51 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 120.796 0.331 . . . . 0.0 111.44 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.505 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 31.0 m-85 59.49 54.57 4.54 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.558 ' OD1' ' HD2' ' A' ' 12' ' ' PRO . 1.3 m-80 -128.92 156.94 42.92 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 121.321 0.581 . . . . 0.0 111.703 176.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.14 160.07 14.86 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.876 175.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.4 m -90.28 73.26 7.1 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-O 122.037 0.922 . . . . 0.0 113.028 -173.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.39 123.89 51.28 Favored 'General case' 0 C--N 1.286 -2.196 0 CA-C-N 113.676 -1.602 . . . . 0.0 107.321 172.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.29 14.12 59.22 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.428 -0.891 . . . . 0.0 111.271 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 77.9 m -97.0 170.19 9.32 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.197 0.522 . . . . 0.0 110.805 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -114.88 19.06 16.13 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 16.5 p -70.78 125.18 26.11 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -176.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.8 t -99.29 128.25 51.18 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 113.657 -1.61 . . . . 0.0 108.267 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.89 41.39 72.82 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.453 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 8.7 t -75.09 109.64 8.73 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -176.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 25' ' ' LEU . 12.3 mptt -107.18 92.14 3.95 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 166.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.434 ' ND2' ' HB2' ' A' ' 54' ' ' HIS . 51.6 t30 -112.85 115.96 48.03 Favored Pre-proline 0 C--N 1.281 -2.394 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 176.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.81 -9.3 25.75 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 121.89 1.727 . . . . 0.0 110.884 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.505 ' CE1' ' HA ' ' A' ' 39' ' ' TYR . 22.4 m-70 -74.83 105.75 6.03 Favored 'General case' 0 N--CA 1.422 -1.861 0 CA-C-O 122.166 0.984 . . . . 0.0 113.071 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.506 ' HD2' ' O ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -140.7 110.21 6.33 Favored 'General case' 0 C--N 1.263 -3.153 0 N-CA-C 102.884 -3.006 . . . . 0.0 102.884 167.347 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -68.03 138.84 56.15 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.399 -172.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -71.84 -25.33 61.93 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.909 -171.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -64.57 120.44 12.35 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.915 0.864 . . . . 0.0 110.897 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.0 m . . . . . 0 C--N 1.284 -2.241 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.649 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.461 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 14.8 m . . . . . 0 N--CA 1.443 -0.782 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 8' ' ' SER . 39.1 Cg_endo -91.8 120.03 0.55 Allowed 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 122.591 2.194 . . . . 0.0 112.932 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -77.23 155.78 33.08 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.375 2.05 . . . . 0.0 109.968 174.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -108.83 113.84 59.15 Favored Pre-proline 0 C--N 1.31 -1.129 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.91 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -72.91 159.48 48.05 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.688 2.258 . . . . 0.0 111.682 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 60.2 mttp -128.07 153.02 47.27 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.182 -176.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 p -129.53 170.91 13.14 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 121.171 0.51 . . . . 0.0 111.533 -175.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -129.3 25.17 5.49 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.867 -1.06 . . . . 0.0 108.813 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.435 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 82.1 m -52.19 117.85 3.1 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.266 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.06 -37.08 2.46 Favored Glycine 0 C--N 1.298 -1.583 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.7 mt -103.58 -13.75 8.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.403 ' OG ' ' HA ' ' A' ' 16' ' ' CYS . 2.7 p -56.36 -44.58 80.25 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 126.114 1.766 . . . . 0.0 114.161 -176.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.31 -85.07 0.38 Allowed Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -77.93 86.9 4.12 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 121.467 0.651 . . . . 0.0 110.325 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.9 m -154.87 128.52 8.6 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.869 -1.159 . . . . 0.0 107.869 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -71.47 159.46 34.46 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.853 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 m -67.38 -40.78 85.73 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.102 -175.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.575 HD23 ' H ' ' A' ' 25' ' ' LEU . 2.3 pt? -91.42 -44.79 8.92 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.336 0.588 . . . . 0.0 110.494 176.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m -89.25 43.34 1.14 Allowed 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 122.923 0.489 . . . . 0.0 110.14 -176.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 m -64.23 -65.38 0.69 Allowed 'General case' 0 C--O 1.213 -0.827 0 CA-C-O 120.95 0.405 . . . . 0.0 110.844 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 57.1 m -89.6 -5.26 57.33 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 173.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -94.57 3.89 54.54 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 121.234 0.54 . . . . 0.0 111.531 -174.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -97.1 165.91 11.84 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.905 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.556 ' O ' ' HD2' ' A' ' 37' ' ' LYS . 4.4 p -65.66 -15.24 62.59 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -174.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtp-105 -85.46 0.59 51.85 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.953 -0.467 . . . . 0.0 110.921 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.2 t -89.47 110.89 42.24 Favored Pre-proline 0 N--CA 1.432 -1.356 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 174.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.74 -29.03 88.49 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.197 2.598 . . . . 0.0 112.581 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.0 m -67.76 -60.09 2.8 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -52.83 -50.17 64.26 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 124.761 1.225 . . . . 0.0 111.458 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.556 ' HD2' ' O ' ' A' ' 31' ' ' SER . 77.7 tttt -68.52 -25.12 64.78 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.678 -175.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.6 m -100.13 8.91 43.55 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 66.75 29.38 8.6 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.024 0.93 . . . . 0.0 112.93 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -109.28 159.83 16.63 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 120.913 0.387 . . . . 0.0 110.532 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.2 p -87.33 164.86 16.02 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.934 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 69.0 m -92.89 77.86 4.74 Favored 'General case' 0 N--CA 1.417 -2.077 0 CA-C-O 122.01 0.91 . . . . 0.0 109.471 177.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.94 105.86 13.75 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 113.871 -1.513 . . . . 0.0 109.297 174.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.414 ' O ' ' HD3' ' A' ' 13' ' ' LYS . . . 99.75 13.85 36.29 Favored Glycine 0 CA--C 1.499 -0.917 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.128 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.2 m -85.51 177.59 7.7 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.297 0.57 . . . . 0.0 110.204 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -119.66 24.4 10.63 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.479 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 13.7 p -71.46 141.53 50.22 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 114.269 -1.332 . . . . 0.0 110.569 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.9 t -119.08 113.91 42.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -176.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.68 52.33 4.46 Favored Glycine 0 N--CA 1.429 -1.811 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 -177.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.479 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 10.1 t -81.16 117.64 21.87 Favored 'General case' 0 N--CA 1.418 -2.074 0 C-N-CA 123.72 0.808 . . . . 0.0 112.092 -175.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 9.1 mptt -115.01 93.39 4.29 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 105.512 -2.032 . . . . 0.0 105.512 168.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -111.15 121.04 41.65 Favored Pre-proline 0 C--N 1.292 -1.908 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -66.68 -16.36 50.23 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 174.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -82.27 87.16 6.57 Favored 'General case' 0 CA--C 1.491 -1.305 0 CA-C-O 122.104 0.954 . . . . 0.0 110.688 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -141.83 163.3 33.28 Favored 'General case' 0 C--N 1.277 -2.565 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.81 110.35 6.28 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-O 121.307 0.575 . . . . 0.0 111.313 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -75.14 82.53 2.32 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 175.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -130.06 115.83 17.67 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 113.816 -1.538 . . . . 0.0 109.299 -171.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 C--N 1.299 -1.597 0 CA-C-O 118.608 -0.71 . . . . 0.0 110.257 177.281 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.445 -0.721 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -89.27 131.76 2.15 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 122.001 1.8 . . . . 0.0 112.035 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -70.72 132.54 21.99 Favored 'Trans proline' 0 N--CA 1.445 -1.361 0 C-N-CA 121.513 1.475 . . . . 0.0 109.695 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -66.59 143.1 97.99 Favored Pre-proline 0 C--N 1.311 -1.087 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.125 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.45 151.13 38.91 Favored 'Trans proline' 0 C--O 1.247 0.956 0 C-N-CA 122.274 1.982 . . . . 0.0 111.499 175.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 20.1 pttp -130.64 116.59 18.3 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 121.92 0.867 . . . . 0.0 110.351 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.3 p -110.01 158.28 18.42 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.186 -174.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 15' ' ' ARG . 6.4 mpt_? -111.55 30.35 7.04 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.495 ' HB3' HG22 ' A' ' 27' ' ' THR . 69.4 m -56.73 132.51 52.29 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.687 179.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.7 -44.1 1.5 Allowed Glycine 0 C--N 1.285 -2.254 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -175.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.3 mt -82.02 -41.93 18.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.9 m -152.44 147.61 26.47 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.49 166.25 14.87 Favored Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.044 -1.074 . . . . 0.0 113.01 176.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.5 p -95.88 144.98 25.75 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m 60.72 30.0 19.4 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.828 0.823 . . . . 0.0 108.868 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -74.15 -16.87 60.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.103 -1.408 . . . . 0.0 112.134 -171.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.8 p -66.9 -60.54 2.56 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-N 114.89 -1.05 . . . . 0.0 113.185 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 mp -108.07 -51.63 2.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.671 0.748 . . . . 0.0 111.712 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p -103.04 53.2 0.77 Allowed 'General case' 0 C--N 1.292 -1.913 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.315 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 16' ' ' CYS . 3.7 m -49.39 -66.04 0.46 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.349 1.06 . . . . 0.0 112.111 -174.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 56.5 m -90.29 -4.99 56.8 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 174.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -93.98 -4.05 50.38 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -171.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -89.98 162.89 15.17 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.427 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.6 m -70.64 -0.56 8.95 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -174.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.536 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 3.2 mmp_? -103.7 4.06 34.95 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.415 -0.803 . . . . 0.0 111.072 177.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.1 t -88.88 120.02 69.97 Favored Pre-proline 0 C--O 1.244 0.808 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 174.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.93 -36.7 97.98 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 123.475 2.783 . . . . 0.0 112.976 -175.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 68.1 m -68.12 -57.31 6.28 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.134 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -52.41 -51.94 56.4 Favored 'General case' 0 C--N 1.312 -1.049 0 O-C-N 124.588 1.18 . . . . 0.0 112.155 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -66.83 -31.61 72.33 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 123.592 0.558 . . . . 0.0 109.876 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 t -89.56 6.39 41.32 Favored 'General case' 0 CA--C 1.554 1.1 0 O-C-N 122.176 -0.328 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 69.23 23.43 6.32 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.716 0.807 . . . . 0.0 113.014 176.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -103.5 152.99 21.03 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.771 0.32 . . . . 0.0 111.703 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 p -84.52 154.01 22.94 Favored 'General case' 0 C--O 1.253 1.241 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.706 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 49.3 m -92.99 14.17 18.49 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.25 111.1 4.95 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 173.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.96 10.67 25.92 Favored Glycine 0 C--N 1.309 -0.952 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.159 -176.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.432 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 77.7 m -98.7 177.29 5.35 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 175.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -107.85 23.27 14.73 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' A' ' 50' ' ' CYS . 18.6 p -78.64 140.25 38.43 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.528 -179.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.6 t -117.67 121.07 66.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.408 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.86 37.76 43.56 Favored Glycine 0 CA--C 1.498 -0.982 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.567 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 2.7 t -68.64 109.91 4.01 Favored 'General case' 0 N--CA 1.426 -1.666 0 CA-C-N 114.177 -1.012 . . . . 0.0 111.815 -178.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -101.05 93.49 5.52 Favored 'General case' 0 N--CA 1.422 -1.845 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 170.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -111.77 116.21 50.25 Favored Pre-proline 0 C--N 1.298 -1.649 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -66.68 -12.83 37.49 Favored 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 122.482 2.121 . . . . 0.0 112.545 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -79.21 94.98 5.51 Favored 'General case' 0 CA--C 1.485 -1.524 0 CA-C-O 121.849 0.833 . . . . 0.0 112.833 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -140.39 67.34 1.37 Allowed 'General case' 0 N--CA 1.405 -2.703 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -69.01 131.0 44.36 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 173.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -90.52 81.94 5.9 Favored 'General case' 0 C--N 1.289 -2.042 0 C-N-CA 118.131 -1.428 . . . . 0.0 111.839 -173.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -104.38 134.18 48.01 Favored 'General case' 0 C--N 1.266 -3.038 0 CA-C-N 113.459 -1.7 . . . . 0.0 107.383 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.287 -2.152 0 CA-C-O 118.512 -0.756 . . . . 0.0 109.065 -176.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -74.09 114.92 4.15 Favored 'Trans proline' 0 C--O 1.241 0.659 0 C-N-CA 122.526 2.15 . . . . 0.0 111.168 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -88.63 158.27 6.38 Favored 'Trans proline' 0 N--CA 1.428 -2.377 0 C-N-CA 121.998 1.799 . . . . 0.0 110.872 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -79.01 134.32 60.06 Favored Pre-proline 0 C--N 1.298 -1.672 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 171.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -48.64 132.21 25.21 Favored 'Trans proline' 0 CA--C 1.502 -1.091 0 C-N-CA 123.552 2.834 . . . . 0.0 113.652 -174.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -132.77 152.63 51.73 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.331 -176.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.6 p -133.88 175.31 9.57 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.103 0.478 . . . . 0.0 110.893 -174.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.508 ' HB2' HD12 ' A' ' 18' ' ' ILE . 34.2 ptt180 -137.12 37.4 2.55 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.112 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 61.8 m -61.0 146.89 45.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.139 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.95 -19.16 55.41 Favored Glycine 0 C--N 1.304 -1.233 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.507 178.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.508 HD12 ' HB2' ' A' ' 15' ' ' ARG . 33.7 mt -79.44 -50.55 17.96 Favored 'Isoleucine or valine' 0 C--O 1.246 0.91 0 N-CA-C 111.546 0.202 . . . . 0.0 111.546 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -128.93 77.78 1.81 Allowed 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 120.847 0.356 . . . . 0.0 111.624 -175.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.96 -64.24 2.35 Favored Glycine 0 C--O 1.251 1.174 0 CA-C-N 115.696 -0.684 . . . . 0.0 114.496 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 m 67.76 179.02 0.23 Allowed 'General case' 0 C--O 1.245 0.829 0 C-N-CA 124.874 1.27 . . . . 0.0 110.831 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -72.45 -38.14 68.37 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.555 0.693 . . . . 0.0 109.698 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -149.79 128.39 12.34 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 105.212 -2.144 . . . . 0.0 105.212 175.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.7 m -75.63 -26.46 57.8 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 120.895 0.379 . . . . 0.0 111.809 -176.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 mp -85.52 -44.24 12.86 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.506 0.67 . . . . 0.0 109.41 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.3 m -107.09 45.59 0.98 Allowed 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.414 -1.266 . . . . 0.0 108.34 -172.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 p -52.15 -65.99 0.46 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.32 -1.309 . . . . 0.0 113.395 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.454 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 71.9 m -89.33 -4.7 58.0 Favored 'General case' 0 C--N 1.281 -2.383 0 CA-C-N 114.244 -1.344 . . . . 0.0 113.817 -176.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -96.72 -5.37 38.85 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.078 0.466 . . . . 0.0 111.646 -175.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -102.21 159.29 15.53 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.203 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.3 m -67.67 -6.96 23.09 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -173.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -89.04 -6.08 57.43 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 121.434 -0.791 . . . . 0.0 110.873 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' SG ' ' HA ' ' A' ' 28' ' ' CYS . 53.7 t -83.46 124.96 75.11 Favored Pre-proline 0 N--CA 1.441 -0.921 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 175.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -57.84 -34.69 98.62 Favored 'Trans proline' 0 C--O 1.208 -1.015 0 C-N-CA 123.057 2.505 . . . . 0.0 112.307 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 79.6 m -64.8 -55.18 21.23 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 65.7 t80 -57.67 -49.2 77.29 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.136 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -70.83 -28.62 64.74 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.396 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -102.31 21.95 14.17 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.82 -0.55 . . . . 0.0 112.253 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 62.07 31.66 17.8 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 169.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -119.29 152.89 35.94 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -80.4 176.24 9.95 Favored 'General case' 0 N--CA 1.409 -2.488 0 CA-C-N 114.75 -1.113 . . . . 0.0 109.834 175.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.409 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 67.4 m -107.47 19.57 20.07 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -176.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.63 107.82 1.86 Allowed 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 172.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.59 14.0 22.77 Favored Glycine 0 N--CA 1.433 -1.514 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.562 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 75.2 m -99.8 172.71 7.08 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 117.231 0.516 . . . . 0.0 111.472 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -106.26 13.95 28.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.486 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 17.9 p -77.59 135.91 38.21 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.387 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.0 t -120.48 130.65 74.22 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.42 28.48 32.94 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 -176.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.445 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 2.9 t -75.87 113.73 13.69 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.858 1.263 . . . . 0.0 113.105 -175.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -106.46 94.18 5.0 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 104.624 -2.361 . . . . 0.0 104.624 168.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -110.78 111.81 56.48 Favored Pre-proline 0 C--N 1.287 -2.123 0 C-N-CA 119.126 -1.03 . . . . 0.0 108.849 175.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -65.41 -10.27 25.46 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.756 2.304 . . . . 0.0 112.279 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -90.2 95.86 10.4 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 176.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -75.29 144.04 42.66 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.508 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 2.0 pm0 -70.49 116.43 10.81 Favored 'General case' 0 C--N 1.28 -2.44 0 CA-C-O 121.482 0.658 . . . . 0.0 110.408 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -69.98 -26.24 63.99 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.095 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -94.63 103.36 15.29 Favored 'General case' 0 C--N 1.284 -2.259 0 CA-C-N 114.546 -1.206 . . . . 0.0 108.656 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.291 -1.977 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.922 177.714 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.1 t . . . . . 0 N--CA 1.433 -1.279 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.14 146.31 86.52 Favored 'Trans proline' 0 C--O 1.252 1.181 0 C-N-CA 121.967 1.778 . . . . 0.0 110.165 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -48.93 127.48 17.08 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.134 2.556 . . . . 0.0 112.251 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.28 163.51 67.81 Favored Pre-proline 0 C--N 1.306 -1.3 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.565 ' HB2' ' HB2' ' A' ' 34' ' ' PRO . 4.0 Cg_exo -71.16 126.8 12.75 Favored 'Trans proline' 0 N--CA 1.43 -2.262 0 C-N-CA 120.645 0.897 . . . . 0.0 110.249 175.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -111.62 116.4 30.74 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.296 -174.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 25.5 p -79.21 157.01 27.91 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.383 -1.281 . . . . 0.0 112.49 -172.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -125.97 27.9 6.24 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.669 -1.15 . . . . 0.0 108.445 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 38.8 m -55.56 126.69 26.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.117 -1.402 . . . . 0.0 111.418 -177.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.82 -43.44 1.7 Allowed Glycine 0 C--N 1.296 -1.646 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.7 mt -84.75 -43.3 17.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 174.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -106.61 139.92 40.3 Favored 'General case' 0 N--CA 1.414 -2.257 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 175.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.02 168.29 48.73 Favored Glycine 0 C--O 1.247 0.934 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.365 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' A' ' 32' ' ' ARG . 3.1 t -155.92 -53.74 0.09 Allowed 'General case' 0 C--O 1.249 1.07 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.3 p -146.47 -74.14 0.22 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.721 0.772 . . . . 0.0 109.13 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -142.92 161.15 38.88 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.3 m -69.6 -31.59 69.82 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 121.4 0.619 . . . . 0.0 109.653 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.76 -26.93 66.36 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.417 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.9 p -121.97 36.32 4.65 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -176.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.7 -64.08 0.86 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.782 0.833 . . . . 0.0 113.154 -178.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.523 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 93.8 m -89.71 -4.79 57.55 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 176.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -98.91 29.94 3.59 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.64 0.733 . . . . 0.0 111.082 -171.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -132.29 161.96 32.19 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.2 m -69.01 -5.07 19.48 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -174.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' HB2' ' OG ' ' A' ' 21' ' ' SER . 79.6 mtp180 -96.52 0.69 50.55 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.352 0.596 . . . . 0.0 110.013 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.1 t -92.32 122.59 64.38 Favored Pre-proline 0 N--CA 1.43 -1.453 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.649 ' O ' ' HB2' ' A' ' 38' ' ' SER . 16.2 Cg_endo -62.92 -9.78 17.91 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.383 2.722 . . . . 0.0 113.048 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 87.8 m -88.85 -50.35 6.27 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.024 175.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.523 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 59.9 t80 -63.16 -57.34 10.86 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.359 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 8.8 tmtm? -80.9 -37.92 28.88 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.92 -171.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.649 ' HB2' ' O ' ' A' ' 34' ' ' PRO . 19.2 m -87.07 1.31 53.35 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.159 0.504 . . . . 0.0 111.297 -177.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 62.27 63.89 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.356 1.062 . . . . 0.0 113.075 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.415 ' HB2' ' HA ' ' A' ' 35' ' ' CYS . 58.0 m-80 -128.77 160.19 33.34 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.583 174.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 p -101.87 156.02 17.78 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 177.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.497 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 80.2 m -83.2 68.11 9.47 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.737 0.78 . . . . 0.0 111.589 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.5 96.28 7.03 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.165 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.21 10.83 59.2 Favored Glycine 0 C--N 1.31 -0.902 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.822 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 79.3 m -76.82 152.17 35.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -105.29 27.14 8.57 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 121.547 0.689 . . . . 0.0 111.317 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 p -76.04 146.32 39.53 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.222 174.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.6 t -104.82 116.74 49.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.498 -174.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.82 37.76 94.18 Favored Glycine 0 C--O 1.243 0.699 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.951 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 16.4 p -64.97 139.63 58.78 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.317 0.58 . . . . 0.0 111.598 -173.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -106.84 94.99 5.41 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 172.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -110.0 117.49 51.81 Favored Pre-proline 0 C--N 1.296 -1.726 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 177.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.28 -36.52 78.47 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.931 2.421 . . . . 0.0 112.828 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -114.94 101.18 8.78 Favored 'General case' 0 N--CA 1.42 -1.934 0 CA-C-O 122.143 0.973 . . . . 0.0 112.571 -177.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -167.39 -178.37 3.99 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 114.067 -1.424 . . . . 0.0 107.762 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -87.09 102.03 14.04 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.708 0.766 . . . . 0.0 110.948 -176.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -85.23 128.68 34.77 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.738 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -94.42 110.91 22.65 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-O 122.086 0.946 . . . . 0.0 111.775 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.416 -2.143 0 CA-C-N 113.608 -1.633 . . . . 0.0 108.198 -179.773 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.2 p . . . . . 0 N--CA 1.439 -1.004 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 59.1 Cg_endo -80.52 130.11 7.75 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.128 1.885 . . . . 0.0 110.732 175.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 9' ' ' PRO . 16.6 Cg_exo -65.83 127.11 17.16 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.455 2.103 . . . . 0.0 112.078 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -112.61 132.33 22.27 Favored Pre-proline 0 C--N 1.299 -1.589 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD2' HD22 ' A' ' 40' ' ' ASN . 15.2 Cg_exo -67.65 132.05 25.98 Favored 'Trans proline' 0 N--CA 1.442 -1.504 0 C-N-CA 121.48 1.453 . . . . 0.0 109.54 173.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -102.24 110.34 22.27 Favored 'General case' 0 C--N 1.278 -2.539 0 CA-C-O 122.143 0.973 . . . . 0.0 110.894 -173.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.69 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 11.5 p -85.19 139.92 31.3 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-N 114.356 -1.293 . . . . 0.0 111.482 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -113.7 38.4 2.96 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -175.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.69 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 50.2 m -63.11 153.37 34.4 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 113.157 -1.838 . . . . 0.0 110.988 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . 92.44 -36.48 3.67 Favored Glycine 0 CA--C 1.496 -1.156 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.614 176.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.9 mt -76.83 -25.22 15.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.6 t -139.55 122.01 16.15 Favored 'General case' 0 N--CA 1.406 -2.64 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 177.78 121.4 0.69 Allowed Glycine 0 N--CA 1.432 -1.573 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.3 m -77.44 95.69 4.52 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 t 71.35 -38.61 0.43 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 125.208 1.403 . . . . 0.0 113.968 173.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -75.23 93.77 2.89 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.376 0.608 . . . . 0.0 109.536 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.7 t -110.87 1.96 17.93 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 114.794 -1.093 . . . . 0.0 109.499 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 25' ' ' LEU . 2.3 pt? -105.52 -29.21 10.32 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.236 -175.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m -125.47 25.58 7.01 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.2 OUTLIER -46.36 -64.15 0.83 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.055 1.742 . . . . 0.0 112.257 -176.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 60.0 m -86.67 -3.6 59.06 Favored 'General case' 0 C--O 1.205 -1.273 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 178.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 77.6 ttt180 -102.6 16.58 26.0 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 121.676 0.751 . . . . 0.0 111.182 -176.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -128.82 165.27 21.32 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.683 -1.26 . . . . 0.0 110.929 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 m -64.28 -11.37 31.08 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -173.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.2 mtt85 -80.3 -12.13 59.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 50.3 t -90.04 116.47 66.44 Favored Pre-proline 0 N--CA 1.436 -1.146 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.74 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.17 -12.23 31.73 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.116 2.544 . . . . 0.0 112.325 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.425 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 11.1 t -85.55 -46.48 10.79 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.506 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 78.9 t80 -66.79 -47.3 72.54 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.916 -178.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -73.58 -11.62 60.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.28 0.562 . . . . 0.0 110.551 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -99.32 4.72 46.54 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 61.65 27.22 16.7 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 125.498 1.519 . . . . 0.0 111.31 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.438 HD22 ' HD2' ' A' ' 12' ' ' PRO . 87.7 m-20 -96.44 155.74 16.64 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.23 -177.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 p -89.87 152.79 21.08 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.062 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.523 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 80.5 m -85.1 73.76 10.6 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 122.163 0.983 . . . . 0.0 110.901 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.47 107.78 18.97 Favored 'General case' 0 C--N 1.275 -2.636 0 CA-C-N 113.75 -1.568 . . . . 0.0 108.543 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.02 2.75 68.61 Favored Glycine 0 C--N 1.31 -0.889 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.819 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 65.7 m -78.58 150.38 32.78 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -103.0 27.86 6.75 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.747 0.784 . . . . 0.0 110.204 -178.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 16' ' ' CYS . 14.3 p -76.14 139.32 41.24 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.818 -1.083 . . . . 0.0 112.67 -177.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.479 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 43.2 t -115.0 141.15 32.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 178.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.7 48.21 63.31 Favored Glycine 0 C--O 1.238 0.4 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.4 t -100.21 125.03 46.32 Favored 'General case' 0 N--CA 1.411 -2.389 0 CA-C-N 114.902 -0.649 . . . . 0.0 111.442 -174.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 95.3 mttt -124.39 94.9 4.34 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 169.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -109.18 112.08 59.81 Favored Pre-proline 0 C--N 1.299 -1.599 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.53 -25.99 54.84 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.417 2.078 . . . . 0.0 111.472 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -79.13 132.34 36.53 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.182 0.515 . . . . 0.0 110.173 -176.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' H ' ' HB2' ' A' ' 58' ' ' TYR . 47.8 mmtm -122.06 -164.93 1.2 Allowed 'General case' 0 C--N 1.285 -2.227 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 178.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -74.33 98.62 3.28 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 175.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.3 t70 68.54 115.2 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.516 1.526 . . . . 0.0 109.744 -171.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.436 ' HB2' ' H ' ' A' ' 55' ' ' LYS . 69.1 t80 -140.12 110.21 6.52 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.141 -173.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 C--N 1.31 -1.114 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 173.872 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.434 -1.25 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 11.8 Cg_exo -72.01 142.28 38.22 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.143 1.895 . . . . 0.0 110.341 178.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 9' ' ' PRO . 4.4 Cg_exo -78.23 146.78 22.72 Favored 'Trans proline' 0 C--O 1.248 1.007 0 C-N-CA 122.123 1.882 . . . . 0.0 110.889 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -86.99 150.24 49.53 Favored Pre-proline 0 C--N 1.299 -1.61 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -61.9 150.77 84.85 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.204 1.936 . . . . 0.0 111.48 176.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -135.92 152.95 51.52 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.001 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.0 p -141.31 160.99 38.97 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-O 121.063 0.459 . . . . 0.0 111.0 -172.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -123.28 34.82 5.01 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.8 m -54.49 142.94 25.64 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.547 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.66 -37.02 3.58 Favored Glycine 0 C--N 1.298 -1.551 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.9 mt -86.62 -47.33 16.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 p -72.16 -39.66 68.57 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.776 -178.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.18 151.38 23.54 Favored Glycine 0 N--CA 1.43 -1.744 0 C-N-CA 120.472 -0.871 . . . . 0.0 111.431 -178.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.9 m -122.1 19.37 10.77 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 123.215 0.606 . . . . 0.0 109.853 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.3 m -64.81 -35.77 82.17 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 122.017 0.913 . . . . 0.0 108.576 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.435 ' O ' HG23 ' A' ' 27' ' ' THR . 44.4 m-80 -110.9 118.61 36.58 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.9 p -100.41 -41.96 6.81 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.108 0.48 . . . . 0.0 111.078 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.2 tt -100.62 -39.22 7.99 Favored 'General case' 0 N--CA 1.412 -2.336 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.442 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 9.4 p -88.01 23.09 2.17 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.713 -178.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -51.11 -66.49 0.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.428 1.491 . . . . 0.0 111.499 -175.119 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 94.6 m -90.53 -4.24 57.05 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.912 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 33.8 ttt180 -95.72 -2.45 47.86 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.951 -171.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -103.56 161.5 13.84 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.644 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -64.78 -8.67 15.91 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -174.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 35.3 mmt180 -93.89 3.95 54.63 Favored 'General case' 0 C--O 1.244 0.806 0 O-C-N 121.957 -0.464 . . . . 0.0 111.498 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.6 t -90.0 119.77 69.33 Favored Pre-proline 0 N--CA 1.427 -1.581 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 171.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.03 -23.97 78.56 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 C-N-CA 122.778 2.319 . . . . 0.0 112.754 -173.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 80.8 m -75.02 -58.39 3.31 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -49.24 -55.33 12.95 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 124.957 1.303 . . . . 0.0 112.912 -176.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -72.92 -16.38 61.55 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.442 -174.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.2 m -103.81 15.62 28.29 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 70.22 21.96 5.68 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.237 1.015 . . . . 0.0 113.229 175.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -111.41 152.53 27.25 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.628 ' HB2' ' OE2' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -90.99 178.07 6.11 Favored 'General case' 0 N--CA 1.396 -3.169 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.834 178.268 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 96.4 m -111.42 19.11 18.54 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -173.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.22 116.26 12.44 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.39 -0.924 . . . . 0.0 108.71 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.03 -10.4 34.13 Favored Glycine 0 C--N 1.308 -0.989 0 C-N-CA 121.463 -0.399 . . . . 0.0 112.502 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.9 m -78.88 179.46 7.25 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -116.69 18.64 14.86 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-O 121.415 0.626 . . . . 0.0 109.996 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.4 p -67.78 140.66 56.67 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.885 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -116.1 130.47 70.78 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.203 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.54 42.91 31.69 Favored Glycine 0 CA--C 1.492 -1.368 0 N-CA-C 109.156 -1.578 . . . . 0.0 109.156 -175.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.3 t -82.69 109.31 16.75 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -174.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -105.79 93.92 4.9 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 166.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.579 ' OD1' ' HA ' ' A' ' 41' ' ' SER . 26.1 t-20 -111.05 115.38 52.92 Favored Pre-proline 0 C--N 1.29 -1.999 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 176.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 52' ' ' ASN . 35.8 Cg_exo -65.86 -6.81 15.02 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.149 2.566 . . . . 0.0 114.526 -178.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -94.92 135.73 36.08 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.43 0.633 . . . . 0.0 110.656 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -95.06 154.66 17.07 Favored 'General case' 0 C--N 1.284 -2.279 0 N-CA-C 105.05 -2.204 . . . . 0.0 105.05 174.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.628 ' OE2' ' HB2' ' A' ' 41' ' ' SER . 57.2 mm-40 -61.71 109.95 1.37 Allowed 'General case' 0 C--O 1.242 0.703 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 174.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.74 80.02 0.44 Allowed 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 122.114 0.959 . . . . 0.0 112.434 -171.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -148.16 84.31 1.51 Allowed 'General case' 0 C--N 1.263 -3.183 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 174.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 C--N 1.298 -1.66 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.322 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.244 0.799 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -78.51 133.14 11.54 Favored 'Trans proline' 0 N--CA 1.444 -1.43 0 C-N-CA 121.779 1.652 . . . . 0.0 109.82 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -64.57 126.54 17.02 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 121.491 1.461 . . . . 0.0 109.899 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -104.37 154.23 38.49 Favored Pre-proline 0 C--N 1.295 -1.79 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.976 -176.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.92 146.35 87.08 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.838 2.359 . . . . 0.0 112.025 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HA ' ' SG ' ' A' ' 45' ' ' CYS . 51.6 pttt -123.19 147.49 46.81 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.23 164.79 26.59 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.019 -172.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.72 26.11 9.93 Favored 'General case' 0 C--O 1.249 1.041 0 C-N-CA 124.126 0.97 . . . . 0.0 108.878 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' HB3' HG22 ' A' ' 27' ' ' THR . 70.8 m -55.14 134.71 49.6 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.03 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . 104.46 -37.47 3.76 Favored Glycine 0 C--N 1.299 -1.481 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.9 mt -84.74 -53.01 11.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.4 m -137.48 106.73 6.05 Favored 'General case' 0 N--CA 1.423 -1.816 0 CA-C-N 114.143 -1.39 . . . . 0.0 108.142 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.25 64.78 0.01 OUTLIER Glycine 0 N--CA 1.428 -1.853 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.7 p -75.28 99.87 4.2 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-O 121.297 0.57 . . . . 0.0 110.639 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.9 m -144.06 37.47 1.28 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 73.85 135.35 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.6 1.56 . . . . 0.0 111.621 -176.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 m -70.09 -11.4 60.86 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-O 121.779 0.799 . . . . 0.0 111.275 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -83.76 -19.42 35.13 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.157 0.504 . . . . 0.0 110.232 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.621 ' HA ' ' HB3' ' A' ' 29' ' ' ARG . 1.4 p -133.94 22.4 3.86 Favored 'General case' 0 N--CA 1.428 -1.544 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -175.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.486 HG22 ' HB3' ' A' ' 16' ' ' CYS . 0.2 OUTLIER -53.84 -65.16 0.62 Allowed 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 123.631 0.773 . . . . 0.0 111.689 -176.058 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 95.6 m -89.02 -3.9 58.56 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 177.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.621 ' HB3' ' HA ' ' A' ' 26' ' ' THR . 62.4 ttt180 -99.54 8.81 44.17 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.386 -173.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -115.96 171.1 7.99 Favored 'General case' 0 C--N 1.31 -1.125 0 O-C-N 121.379 -0.826 . . . . 0.0 109.342 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -70.53 -7.03 40.64 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -172.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -87.29 -11.61 49.05 Favored 'General case' 0 CA--C 1.505 -0.777 0 O-C-N 121.909 -0.494 . . . . 0.0 110.375 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.4 t -86.88 114.92 60.55 Favored Pre-proline 0 N--CA 1.417 -2.098 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 176.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.08 -25.26 77.23 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.311 2.674 . . . . 0.0 111.992 -175.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.8 m -70.83 -58.89 3.16 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.408 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.515 ' HB2' ' O ' ' A' ' 28' ' ' CYS . 83.5 t80 -56.28 -45.11 80.3 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.947 0.899 . . . . 0.0 111.797 -178.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -74.13 -10.2 59.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.705 0.764 . . . . 0.0 110.462 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 t -106.01 3.64 28.5 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 176.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 64.82 22.45 12.53 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.102 0.961 . . . . 0.0 111.889 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -103.28 160.8 14.36 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.403 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 p -86.0 176.05 8.25 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.628 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 95.6 m -103.76 70.44 1.01 Allowed 'General case' 0 N--CA 1.418 -2.026 0 CA-C-O 121.578 0.704 . . . . 0.0 110.959 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.64 105.28 15.07 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.628 175.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.44 13.83 23.46 Favored Glycine 0 N--CA 1.437 -1.252 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.119 -177.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 83.8 m -95.58 169.22 10.19 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-O 121.309 0.576 . . . . 0.0 109.96 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -117.56 25.51 10.36 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.4 p -75.3 145.26 41.96 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.451 -1.25 . . . . 0.0 112.256 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.471 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 87.4 t -119.28 135.22 60.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 C-N-CA 125.178 1.391 . . . . 0.0 107.622 -179.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.41 40.69 91.46 Favored Glycine 0 C--O 1.245 0.794 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -178.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.6 t -76.86 109.76 10.92 Favored 'General case' 0 N--CA 1.413 -2.307 0 CA-C-N 114.213 -0.993 . . . . 0.0 111.626 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 29' ' ' ARG . 34.4 mmtp -108.36 93.24 4.42 Favored 'General case' 0 N--CA 1.413 -2.29 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 168.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -112.7 118.87 44.32 Favored Pre-proline 0 C--N 1.286 -2.191 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 175.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.18 -25.73 79.15 Favored 'Trans proline' 0 C--O 1.242 0.703 0 C-N-CA 122.366 2.044 . . . . 0.0 111.499 174.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -84.55 149.6 25.79 Favored 'General case' 0 N--CA 1.435 -1.2 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.934 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -156.02 176.28 12.85 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.7 -171.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -81.92 85.03 6.75 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -143.45 123.14 13.33 Favored 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 -177.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -63.72 118.01 7.68 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 123.635 0.585 . . . . 0.0 111.171 -176.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.313 -1.017 0 CA-C-O 118.282 -0.866 . . . . 0.0 112.349 -178.629 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.435 -1.218 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -70.0 140.27 41.37 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.601 2.201 . . . . 0.0 111.112 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -70.79 155.99 61.52 Favored 'Trans proline' 0 C--O 1.251 1.144 0 C-N-CA 122.116 1.877 . . . . 0.0 111.764 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -125.24 168.52 13.36 Favored Pre-proline 0 C--N 1.305 -1.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.744 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.91 150.97 43.44 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.695 2.263 . . . . 0.0 113.384 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -132.58 150.86 52.09 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 115.203 -0.908 . . . . 0.0 108.694 179.666 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.2 p -144.62 167.44 22.53 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 -125.43 24.85 7.21 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -176.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m -57.22 107.75 0.45 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.55 -1.204 . . . . 0.0 110.277 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 48' ' ' VAL . . . 130.56 -29.11 3.66 Favored Glycine 0 C--N 1.297 -1.626 0 C-N-CA 119.76 -1.21 . . . . 0.0 112.557 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.466 HD11 ' HD2' ' A' ' 46' ' ' HIS . 42.0 mm -62.74 -43.03 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 175.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.8 t -124.59 86.58 2.58 Favored 'General case' 0 N--CA 1.405 -2.682 0 N-CA-C 104.567 -2.383 . . . . 0.0 104.567 169.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.55 39.27 1.3 Allowed Glycine 0 N--CA 1.426 -1.988 0 C-N-CA 120.027 -1.082 . . . . 0.0 112.487 -174.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -80.38 -33.27 37.28 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 173.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.7 m -86.83 111.27 20.6 Favored 'General case' 0 N--CA 1.418 -2.029 0 N-CA-C 104.679 -2.341 . . . . 0.0 104.679 167.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.516 ' O ' HG23 ' A' ' 27' ' ' THR . 93.3 m-20 74.03 84.03 0.11 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.044 0.938 . . . . 0.0 110.481 -173.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.7 m -105.1 -19.28 13.87 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-O 121.504 0.668 . . . . 0.0 110.369 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mp -106.63 -37.61 6.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.503 0.668 . . . . 0.0 109.395 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -97.62 29.67 3.23 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -56.17 -66.04 0.5 Allowed 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 124.742 1.217 . . . . 0.0 110.543 -178.412 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.6 m -90.4 -5.56 56.01 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.044 -0.98 . . . . 0.0 113.543 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -96.33 -1.68 47.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.25 0.547 . . . . 0.0 112.422 -174.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -87.34 160.21 18.47 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.009 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -71.82 -2.36 17.45 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -99.72 3.73 45.13 Favored 'General case' 0 N--CA 1.438 -1.026 0 O-C-N 121.981 -0.449 . . . . 0.0 110.545 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.2 t -85.92 118.34 70.33 Favored Pre-proline 0 N--CA 1.435 -1.192 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 173.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.82 -33.19 94.0 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.804 2.336 . . . . 0.0 112.659 -174.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.9 m -68.76 -54.09 18.05 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.602 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -53.52 -51.47 62.75 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 124.414 1.086 . . . . 0.0 111.765 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -26.59 63.37 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.854 0.359 . . . . 0.0 111.211 -177.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.8 t -84.99 -3.49 58.79 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.519 ' HD1' ' CE1' ' A' ' 54' ' ' HIS . 47.6 m-85 68.48 21.09 8.29 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.675 1.19 . . . . 0.0 111.265 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -97.6 166.26 11.59 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.127 -178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 p -90.51 165.46 13.78 Favored 'General case' 0 N--CA 1.418 -2.062 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.868 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 96.7 m -95.02 69.56 3.25 Favored 'General case' 0 N--CA 1.429 -1.52 0 CA-C-O 122.057 0.932 . . . . 0.0 110.764 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.61 113.35 25.91 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 113.888 -1.505 . . . . 0.0 108.01 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.02 14.17 40.41 Favored Glycine 0 N--CA 1.435 -1.416 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 13' ' ' LYS . 71.6 m -95.42 168.63 10.59 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-O 121.119 0.485 . . . . 0.0 110.744 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.466 ' HD2' HD11 ' A' ' 18' ' ' ILE . 2.9 t60 -119.76 26.13 9.54 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.0 p -80.71 143.68 32.8 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.567 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.484 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 60.7 t -130.44 116.97 37.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -175.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.57 39.3 6.74 Favored Glycine 0 C--N 1.303 -1.285 0 N-CA-C 108.526 -1.83 . . . . 0.0 108.526 -173.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.6 t -81.59 109.85 16.42 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 114.222 -0.989 . . . . 0.0 112.765 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -109.24 92.61 4.12 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 168.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -113.04 112.71 49.84 Favored Pre-proline 0 C--N 1.306 -1.313 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.686 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.22 -13.58 33.68 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.245 1.963 . . . . 0.0 111.683 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.519 ' CE1' ' HD1' ' A' ' 39' ' ' TYR . 86.3 m-70 -85.05 105.31 15.7 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-O 121.916 0.865 . . . . 0.0 110.908 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -98.4 162.65 13.05 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 106.32 -1.734 . . . . 0.0 106.32 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -83.18 84.45 7.48 Favored 'General case' 0 N--CA 1.426 -1.641 0 C-N-CA 117.921 -1.511 . . . . 0.0 109.604 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -103.44 -17.66 15.14 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 112.441 -2.163 . . . . 0.0 108.156 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -84.56 102.59 12.99 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.617 -1.629 . . . . 0.0 109.942 -174.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.301 -1.531 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.901 179.797 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_