data_2n25_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 2n25 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 32' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 109.514 -0.55 . . . . 2.13 109.514 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.552 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 20.5 t -128.91 130.58 46.99 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.806 0.336 . . . . 1.77 110.507 -179.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 43.2 t -73.9 108.05 6.49 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.53 -0.545 . . . . 1.01 109.53 174.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -66.12 -33.28 75.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.956 -0.565 . . . . 5.57 111.102 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -53.88 30.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.35 0.595 . . . . 2.64 111.498 -174.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.403 ' C ' ' HG ' ' A' ' 38' ' ' SER . 1.8 p -116.57 12.8 15.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.349 -0.841 . . . . 0.89 111.992 -172.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.403 ' HG ' ' C ' ' A' ' 37' ' ' CYS . 83.5 p 56.86 31.82 20.32 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 114.597 -1.183 . . . . 1.96 113.604 173.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -101.56 107.91 19.32 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.931 -0.396 . . . . 3.36 109.931 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.552 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -92.8 156.83 16.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.904 0.383 . . . . 1.15 111.631 -177.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -136.26 159.61 41.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.805 -0.634 . . . . 1.14 111.006 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.6 m -107.69 -8.92 15.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.172 -0.922 . . . . 2.11 109.596 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.591 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 7.1 t70 -100.76 125.38 38.89 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.461 -0.79 . . . . 1.54 109.61 176.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.02 -21.38 56.56 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.608 2.205 . . . . 0.88 112.171 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.1 -33.54 14.72 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.641 0.257 . . . . 1.12 110.347 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.591 ' CB ' ' HB3' ' A' ' 43' ' ' ASP . . . -59.67 -43.73 93.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.193 0.52 . . . . 1.13 109.768 175.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.4 t -69.9 -28.6 65.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.472 -0.785 . . . . 1.28 110.385 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 16.8 tppt? -71.31 -41.34 70.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.422 -0.354 . . . . 2.8 110.21 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.09 68.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.462 0.648 . . . . 1.1 110.063 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -73.73 -30.37 62.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.043 -0.98 . . . . 1.12 110.238 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.23 -41.03 99.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 115.457 -0.792 . . . . 3.27 110.123 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 71.9 mmtt -77.31 -9.15 58.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.198 -0.91 . . . . 3.43 111.595 -174.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.9 p -96.55 -20.63 18.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.891 0.377 . . . . 1.22 111.093 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -86.94 -19.38 28.87 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.302 0.572 . . . . 1.61 109.638 170.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.3 m -128.59 81.9 69.72 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.36 -0.836 . . . . 1.89 109.368 173.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo . . . . . 0 C--N 1.348 0.54 0 C-N-CA 123.583 2.855 . . . . 1.18 112.968 -174.73 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 121.178 0.513 . . . . 2.13 110.62 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.4 m -97.55 101.9 13.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.741 -0.663 . . . . 1.77 110.78 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.414 ' SG ' ' OE2' ' A' ' 51' ' ' GLU . 42.2 t -86.28 99.71 11.76 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.299 -0.63 . . . . 1.01 109.299 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -65.85 -21.14 66.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.298 -0.41 . . . . 5.57 111.798 -174.344 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.452 ' N ' ' HD3' ' A' ' 35' ' ' ARG . 8.4 tp10 -67.05 -47.29 71.77 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 111.91 0.337 . . . . 2.64 111.91 -175.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.602 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 28.8 p -104.72 -1.72 25.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.959 0.409 . . . . 0.89 110.354 -178.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.4 t 70.82 19.12 5.97 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.206 -0.906 . . . . 1.96 111.41 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -101.67 134.72 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 3.36 110.369 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.44 115.84 24.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.226 -0.443 . . . . 1.15 110.303 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -104.16 149.96 24.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.11 0.481 . . . . 1.14 111.015 -175.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.3 m -99.62 -9.32 23.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.621 -0.718 . . . . 2.11 109.722 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.573 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 6.1 t70 -99.44 126.64 36.86 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.687 -0.688 . . . . 1.54 109.25 175.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.438 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 24.8 Cg_endo -62.41 -26.88 76.91 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.594 2.196 . . . . 0.88 112.092 177.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . . . -91.12 -29.01 17.53 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.43 -0.35 . . . . 1.12 110.312 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.573 ' CB ' ' HB3' ' A' ' 43' ' ' ASP . . . -63.37 -38.58 91.7 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.087 -0.708 . . . . 1.13 109.087 174.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.8 t -65.54 -44.88 85.49 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 114.972 -1.013 . . . . 1.28 109.59 173.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 44' ' ' PRO . 28.8 mmtp -65.64 -43.72 88.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.579 -0.282 . . . . 2.8 111.668 -175.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.96 -50.17 67.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.268 0.556 . . . . 1.1 110.336 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.602 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 50.8 t60 -64.6 -43.04 95.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.153 -0.931 . . . . 1.12 111.616 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' OE2' ' SG ' ' A' ' 34' ' ' CYS . 46.7 mm-40 -67.17 -30.3 70.23 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.603 -0.685 . . . . 3.27 111.147 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 52' ' ' LYS . 53.4 mmtt -78.07 5.59 9.67 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.797 -0.638 . . . . 3.43 112.061 173.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.7 p -99.79 -23.1 15.09 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.471 -0.566 . . . . 1.22 109.471 166.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 51' ' ' GLU . 48.6 m-70 -61.93 -41.86 98.43 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.451 -0.944 . . . . 1.61 108.451 169.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 p -115.3 81.8 8.69 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 114.751 -1.113 . . . . 1.89 108.689 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo . . . . . 0 C--N 1.343 0.287 0 C-N-CA 122.921 2.414 . . . . 1.18 112.621 -171.794 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' A' ' 40' ' ' ALA . 95.3 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 121.214 0.531 . . . . 2.13 110.177 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.5 m -84.38 99.93 10.96 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.404 -0.817 . . . . 1.77 110.761 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.599 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 0.5 OUTLIER -87.64 79.95 8.12 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.727 -0.842 . . . . 1.01 108.727 177.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -69.66 -25.79 64.08 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.376 -0.829 . . . . 5.57 113.168 -166.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -24.69 62.41 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.884 -0.726 . . . . 2.64 110.991 -177.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.479 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 28.4 p -114.95 2.38 14.25 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 119.901 -0.72 . . . . 0.89 110.809 174.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.0 m 65.8 27.88 11.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.028 -0.987 . . . . 1.96 112.081 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -101.6 163.28 12.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.658 0.266 . . . . 3.36 110.529 175.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 32' ' ' PHE . . . -142.52 134.61 27.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.823 0.345 . . . . 1.15 110.096 174.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -120.19 154.98 34.05 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.341 -0.391 . . . . 1.14 110.88 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 m -110.61 -10.1 14.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.366 0.603 . . . . 2.11 109.721 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -101.93 120.59 53.52 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.438 -0.801 . . . . 1.54 109.913 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.16 -29.69 87.43 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 123.091 2.527 . . . . 0.88 113.026 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.78 -23.63 22.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.119 0.485 . . . . 1.12 110.286 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.46 -40.95 76.82 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.347 -0.612 . . . . 1.13 109.347 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 50.1 t -68.59 -33.47 74.12 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.411 -0.813 . . . . 1.28 109.537 173.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -63.04 -43.13 99.51 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.674 -0.694 . . . . 2.8 110.339 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.89 -42.14 70.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.606 -0.725 . . . . 1.1 110.123 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.599 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 71.0 t60 -61.74 -41.01 97.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.141 -0.936 . . . . 1.12 110.486 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 39.1 mt-10 -55.89 -37.52 68.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.135 0.493 . . . . 3.27 110.907 175.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 52' ' ' LYS . 41.0 mmtm -78.97 -2.66 41.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.755 -0.657 . . . . 3.43 112.144 -176.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.5 p -94.51 -29.34 14.97 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.549 -0.461 . . . . 1.22 109.782 171.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.506 ' NE2' ' NE2' ' A' ' 50' ' ' HIS . 67.0 m-70 -76.28 -37.61 57.31 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.194 -0.669 . . . . 1.61 109.194 174.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 m -115.05 79.0 5.9 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.292 -0.867 . . . . 1.89 109.068 172.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo . . . . . 0 C--N 1.347 0.487 0 C-N-CA 123.074 2.516 . . . . 1.18 112.536 -172.703 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 91.4 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.157 0.503 . . . . 2.13 109.797 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.3 t -114.63 107.55 15.63 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.582 -0.735 . . . . 1.77 109.891 -177.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 36' ' ' GLU . 40.4 t -89.64 94.94 10.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.751 -0.659 . . . . 1.01 109.807 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -69.39 -9.1 52.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 5.57 111.238 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 11.3 tp10 -68.21 -42.22 80.15 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 116.391 -0.368 . . . . 2.64 110.584 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.552 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 25.9 p -117.91 -3.89 11.14 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 121.002 -0.279 . . . . 0.89 111.345 -178.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 69.5 m 72.78 19.61 3.87 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.319 0.648 . . . . 1.96 112.181 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -100.77 149.74 23.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.172 -0.307 . . . . 3.36 110.172 175.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.53 140.94 51.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.839 0.352 . . . . 1.15 110.686 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 55.0 m-85 -132.56 156.12 47.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.153 -0.476 . . . . 1.14 109.791 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.7 m -110.06 -0.42 18.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.113 0.483 . . . . 2.11 110.157 176.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.571 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 7.2 t70 -104.36 124.74 36.24 Favored Pre-proline 0 C--O 1.235 0.334 0 N-CA-C 108.903 -0.777 . . . . 1.54 108.903 176.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.65 -24.22 77.98 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.92 2.414 . . . . 0.88 112.257 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.69 -25.33 18.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.846 0.355 . . . . 1.12 111.127 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.571 ' CB ' ' HB3' ' A' ' 43' ' ' ASP . . . -67.46 -47.66 69.46 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.139 0.495 . . . . 1.13 109.788 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 15.6 p -67.4 -34.51 77.4 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.663 -0.699 . . . . 1.28 109.459 175.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.461 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 87.0 tttt -61.76 -46.35 89.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.05 -0.523 . . . . 2.8 110.171 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.81 -42.34 90.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.201 0.525 . . . . 1.1 110.857 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.552 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 31.1 t60 -72.71 -30.77 64.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.396 -0.82 . . . . 1.12 111.93 -178.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 48.9 mm-40 -78.11 -30.09 49.27 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.359 0.599 . . . . 3.27 110.391 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 30.2 mtpp -64.27 -23.88 67.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.554 -0.748 . . . . 3.43 110.902 172.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.4 p -90.31 -10.39 44.3 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.86 -0.336 . . . . 1.22 110.769 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 5.5 m-70 -67.4 -42.28 83.56 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.232 0.539 . . . . 1.61 109.555 170.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.4 t -127.58 98.54 28.38 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.406 -0.815 . . . . 1.89 109.111 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo . . . . . 0 C--O 1.234 0.304 0 C-N-CA 122.771 2.314 . . . . 1.18 112.397 -177.09 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 110.039 -0.356 . . . . 2.13 110.039 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 57.6 m -147.52 120.72 8.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.067 -0.515 . . . . 1.77 110.611 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.53 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 0.5 OUTLIER -76.39 95.83 3.89 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.79 -1.189 . . . . 1.01 107.79 173.192 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -79.42 0.05 30.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.064 0.764 . . . . 5.57 113.064 -164.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.3 -22.92 11.83 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.484 -0.486 . . . . 2.64 111.23 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.431 ' HB3' ' HE1' ' A' ' 54' ' ' HIS . 14.6 p -109.59 -9.67 14.87 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 120.523 -0.471 . . . . 0.89 109.92 172.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.9 t 74.48 24.14 1.83 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.076 -0.965 . . . . 1.96 111.924 173.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -102.16 122.74 44.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.693 -0.23 . . . . 3.36 110.664 177.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -93.42 161.17 14.49 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.219 -0.301 . . . . 1.15 111.234 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -139.68 147.63 41.24 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.151 -0.477 . . . . 1.14 110.795 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 p -94.33 -15.13 24.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.732 -0.667 . . . . 2.11 110.987 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.46 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 4.8 m-20 -114.41 131.42 23.31 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.511 . . . . 1.54 110.985 -172.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 21.0 Cg_exo -65.75 -34.23 41.23 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.439 2.759 . . . . 0.88 112.713 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.526 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . . . -84.79 -24.57 28.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.19 0.519 . . . . 1.12 110.08 -177.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.97 -45.07 71.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.615 -0.721 . . . . 1.13 109.142 175.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.461 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 44.5 t -67.45 -28.45 67.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.44 -0.8 . . . . 1.28 109.886 174.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.526 ' HB2' ' HA ' ' A' ' 45' ' ' ALA . 7.2 tptp -69.23 -45.7 69.15 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.117 -0.492 . . . . 2.8 110.019 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.99 -32.76 69.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.772 -0.649 . . . . 1.1 109.939 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.53 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 20.4 t60 -74.1 -29.64 61.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.141 -0.936 . . . . 1.12 110.325 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 28.4 mt-10 -59.18 -38.68 80.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.138 0.494 . . . . 3.27 109.767 171.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.573 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 10.4 mmpt? -80.12 -5.67 56.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.447 -0.797 . . . . 3.43 111.861 -175.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.7 p -92.47 -22.97 19.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.044 0.45 . . . . 1.22 110.321 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.573 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 28.6 m-70 -88.28 -35.47 17.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.353 0.597 . . . . 1.61 109.673 170.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.7 t -109.02 80.46 1.32 Allowed Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.324 -0.991 . . . . 1.89 108.324 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.573 ' HD3' ' O ' ' A' ' 54' ' ' HIS . 13.9 Cg_exo . . . . . 0 N--CA 1.46 -0.46 0 C-N-CA 123.024 2.482 . . . . 1.18 111.935 -172.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.536 ' CE1' ' HG3' ' A' ' 44' ' ' PRO . 1.3 m-85 . . . . . 0 CA--C 1.517 -0.313 0 N-CA-C 108.497 -0.927 . . . . 2.13 108.497 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -99.88 137.54 38.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.673 -1.149 . . . . 1.77 111.052 -175.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.1 t -110.07 138.55 46.29 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.438 -0.801 . . . . 1.01 109.382 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 30.2 ptt180 -90.19 -40.73 12.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.455 -0.339 . . . . 5.57 111.712 -173.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 2.2 pm0 -75.86 -35.56 59.86 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.555 0.576 . . . . 2.64 112.555 -172.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.532 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 13.1 p -99.87 -8.05 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.578 -0.849 . . . . 0.89 109.882 176.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 m 66.87 11.28 8.21 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.794 -1.094 . . . . 1.96 112.372 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.696 ' HB2' ' HZ3' ' A' ' 39' ' ' LYS . 4.3 ttmp? -100.9 126.38 47.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.514 -0.312 . . . . 3.36 110.707 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -109.6 144.45 37.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.313 -0.403 . . . . 1.15 110.291 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.531 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 60.6 m-85 -115.33 158.09 22.9 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.227 -0.442 . . . . 1.14 110.748 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.0 t -96.33 -3.36 43.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.274 0.559 . . . . 2.11 109.695 175.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -117.71 118.58 34.87 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.719 -0.673 . . . . 1.54 109.923 178.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 32.4 Cg_exo -58.39 -31.78 94.75 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 123.225 2.617 . . . . 0.88 113.077 -177.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.96 -24.76 22.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.816 0.341 . . . . 1.12 110.521 -177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.78 78.29 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.339 -0.615 . . . . 1.13 109.339 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.531 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 44.2 t -68.09 -33.39 74.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.546 -0.752 . . . . 1.28 109.604 174.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -66.04 -39.29 90.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.941 -0.572 . . . . 2.8 110.328 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.68 -44.49 66.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.942 -0.572 . . . . 1.1 110.33 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.532 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 29.2 t60 -62.02 -43.44 98.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.41 -0.814 . . . . 1.12 111.351 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 49.8 mm-40 -66.83 -27.63 67.71 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.143 0.497 . . . . 3.27 111.145 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -65.97 -22.34 66.47 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.766 -0.652 . . . . 3.43 111.826 172.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.5 p -82.42 -21.14 35.86 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.38 -0.528 . . . . 1.22 110.406 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 29.7 m-70 -63.4 -40.96 98.61 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.325 0.583 . . . . 1.61 109.756 170.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.5 m -122.03 76.75 40.81 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.527 -0.76 . . . . 1.89 109.246 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo . . . . . 0 C--N 1.346 0.412 0 C-N-CA 123.1 2.534 . . . . 1.18 113.03 -170.689 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.063 0.459 . . . . 2.13 110.066 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.2 t -97.81 99.17 10.49 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.883 -0.599 . . . . 1.77 109.695 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.513 ' SG ' ' HB3' ' A' ' 36' ' ' GLU . 53.6 t -77.94 105.12 8.93 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.536 -0.757 . . . . 1.01 109.682 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -68.02 -26.38 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 5.57 110.305 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 7.7 tp10 -54.63 -46.66 73.94 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.653 -0.703 . . . . 2.64 111.453 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.56 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 27.5 p -115.16 -0.36 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.89 111.342 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 m 65.03 19.85 11.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.481 -0.782 . . . . 1.96 111.796 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -101.25 148.86 24.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 3.36 109.916 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.19 136.65 54.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.874 0.368 . . . . 1.15 111.146 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -127.51 155.61 43.49 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.007 -0.738 . . . . 1.14 109.007 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.3 p -110.03 -7.17 14.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.098 0.475 . . . . 2.11 110.449 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -120.94 125.23 27.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.619 -0.719 . . . . 1.54 110.968 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.551 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 34.1 Cg_exo -60.15 -26.01 81.42 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.596 2.864 . . . . 0.88 113.546 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.92 -24.88 20.05 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.156 0.503 . . . . 1.12 110.541 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.06 -47.66 57.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.778 -0.646 . . . . 1.13 109.747 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 28.4 p -67.92 -25.21 65.36 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.605 -0.725 . . . . 1.28 109.365 174.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 41.8 tttp -64.33 -48.52 75.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.011 -0.541 . . . . 2.8 109.679 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 53' ' ' THR . . . -61.17 -43.57 98.68 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.512 0.672 . . . . 1.1 110.013 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.56 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 49.6 t60 -64.02 -49.39 72.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.744 -1.116 . . . . 1.12 111.471 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 62.4 mm-40 -66.09 -30.64 71.19 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.998 0.428 . . . . 3.27 111.041 -177.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 30.1 mtpp -64.7 -21.29 66.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.026 -0.533 . . . . 3.43 111.196 173.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 49' ' ' ALA . 33.1 p -88.92 -20.16 24.89 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.212 -0.595 . . . . 1.22 110.55 175.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 1.6 m-70 -61.0 -41.39 96.41 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.359 0.6 . . . . 1.61 110.24 172.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.7 m -121.43 88.65 46.36 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.232 -0.895 . . . . 1.89 109.191 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--N 1.343 0.256 0 C-N-CA 123.229 2.62 . . . . 1.18 113.133 -174.376 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 120.968 0.414 . . . . 2.13 110.42 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -100.93 99.76 10.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.165 -0.471 . . . . 1.77 110.155 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.14 136.42 55.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.871 -0.604 . . . . 1.01 109.93 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -90.15 -35.59 15.31 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.89 -0.595 . . . . 5.57 111.96 -170.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -33.14 56.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.03 0.381 . . . . 2.64 112.03 -173.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.448 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 19.5 p -110.1 -2.2 17.08 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 119.857 -0.737 . . . . 0.89 111.209 -177.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.2 m 65.28 14.52 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.409 -0.814 . . . . 1.96 111.96 175.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -100.51 121.92 42.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.843 0.354 . . . . 3.36 110.519 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.09 143.1 27.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.948 -0.569 . . . . 1.15 110.853 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -123.46 142.63 50.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.23 0.538 . . . . 1.14 110.8 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 p -84.49 -16.17 43.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.551 -0.75 . . . . 2.11 110.483 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -121.63 124.37 27.17 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.621 -0.718 . . . . 1.54 110.462 -173.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -59.64 -31.81 94.91 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 123.159 2.573 . . . . 0.88 112.879 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.78 -21.94 29.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.28 0.562 . . . . 1.12 110.185 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.3 -40.26 70.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.504 -0.771 . . . . 1.13 109.248 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 48.1 t -72.21 -25.61 61.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.615 -0.72 . . . . 1.28 109.728 174.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 48' ' ' LYS . 19.9 ttmm -72.17 -40.32 68.03 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.344 0.592 . . . . 2.8 110.48 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.552 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . . . -65.12 -32.46 74.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.753 0.787 . . . . 1.1 109.334 173.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.448 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 86.2 t60 -72.09 -27.49 62.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.735 -1.121 . . . . 1.12 110.717 177.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 48.4 mt-10 -58.25 -37.83 75.68 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.052 -0.722 . . . . 3.27 109.052 172.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 49' ' ' ALA . 49.7 mtmt -76.28 -9.46 58.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.213 -0.903 . . . . 3.43 111.68 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.5 p -92.83 -23.89 18.68 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.359 -0.536 . . . . 1.22 110.359 174.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -77.2 -40.41 45.3 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.246 -0.649 . . . . 1.61 109.246 172.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 m -111.97 87.74 9.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.114 -0.698 . . . . 1.89 109.114 172.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 N--CA 1.477 0.545 0 C-N-CA 123.855 3.037 . . . . 1.18 113.911 -170.313 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 121.096 0.474 . . . . 2.13 110.611 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 p -93.76 136.9 33.57 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.757 -0.656 . . . . 1.77 110.669 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.4 t -129.4 102.82 6.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.97 -0.559 . . . . 1.01 110.114 -175.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -64.2 -32.87 74.62 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.778 0.288 . . . . 5.57 111.778 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -51.17 -46.39 62.05 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 122.972 0.509 . . . . 2.64 111.908 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.621 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 27.2 p -110.72 -0.43 17.09 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.727 -0.389 . . . . 0.89 111.061 -177.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 m 66.98 17.39 10.5 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.57 -0.741 . . . . 1.96 111.468 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.49 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 74.8 mmtt -101.2 154.67 18.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.988 0.423 . . . . 3.36 110.797 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.59 132.02 20.87 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.761 -0.654 . . . . 1.15 109.855 177.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.563 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 85.0 m-85 -124.76 150.73 45.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.068 0.461 . . . . 1.14 110.844 -176.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 m -102.42 -2.3 29.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.632 -0.713 . . . . 2.11 110.137 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 16.5 m-20 -111.59 124.3 32.83 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.671 -0.695 . . . . 1.54 109.949 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 32.4 Cg_exo -58.29 -34.85 99.01 Favored 'Trans proline' 0 CA--C 1.521 -0.147 0 C-N-CA 123.583 2.856 . . . . 0.88 113.216 -175.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.4 -23.9 20.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.835 0.35 . . . . 1.12 110.626 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -67.9 -45.65 73.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.698 -0.482 . . . . 1.13 109.698 176.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.563 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 42.6 t -67.49 -35.73 79.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.706 -0.679 . . . . 1.28 109.363 174.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 54.8 tttp -65.96 -29.86 70.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.648 -0.705 . . . . 2.8 110.634 -177.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.66 -50.81 19.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.301 0.572 . . . . 1.1 110.295 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.621 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 29.1 t60 -59.94 -46.21 90.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.284 -0.871 . . . . 1.12 111.399 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -65.03 -25.18 67.73 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.237 0.541 . . . . 3.27 110.834 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 30.9 mtmm -69.78 -16.08 63.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.865 -0.607 . . . . 3.43 111.669 172.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.3 p -84.77 -27.66 26.74 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.088 -0.645 . . . . 1.22 109.765 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -61.33 -41.75 97.55 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.212 0.529 . . . . 1.61 110.068 172.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 p -123.06 89.76 50.63 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.797 -0.638 . . . . 1.89 109.484 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo . . . . . 0 C--N 1.348 0.547 0 C-N-CA 123.4 2.734 . . . . 1.18 113.051 -174.682 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 44' ' ' PRO . 91.1 m-85 . . . . . 0 CA--C 1.516 -0.354 0 N-CA-C 109.764 -0.458 . . . . 2.13 109.764 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.538 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 49.9 m -136.3 126.64 26.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.179 0.514 . . . . 1.77 111.413 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.8 t -80.69 82.51 6.68 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.742 -0.836 . . . . 1.01 108.742 173.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -55.35 -23.34 23.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 5.57 111.944 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.6 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 2.2 mm-40 -59.31 -38.13 79.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.457 -0.338 . . . . 2.64 110.896 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.6 p -127.85 1.42 6.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.104 0.478 . . . . 0.89 111.383 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.4 t 71.2 25.24 3.64 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.287 -0.87 . . . . 1.96 111.891 176.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -100.87 120.78 40.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.687 0.28 . . . . 3.36 110.57 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -95.84 158.99 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.914 0.387 . . . . 1.15 111.681 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -139.78 156.59 46.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.83 -0.623 . . . . 1.14 110.545 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.1 m -104.64 -4.42 22.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.902 -0.59 . . . . 2.11 109.879 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.412 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 14.4 m-20 -117.38 122.6 30.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.713 -0.676 . . . . 1.54 110.015 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 19.6 Cg_endo -60.22 -33.76 94.52 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.29 2.66 . . . . 0.88 113.335 -177.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.01 -25.83 24.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 1.12 110.208 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -67.51 -39.04 85.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.141 -0.689 . . . . 1.13 109.141 174.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 39.9 t -68.18 -37.1 80.6 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.153 -0.931 . . . . 1.28 109.892 173.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -65.96 -39.05 90.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.183 0.516 . . . . 2.8 110.587 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 53' ' ' THR . . . -69.62 -41.05 76.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.767 -0.651 . . . . 1.1 109.602 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -64.51 -43.27 94.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.801 -1.091 . . . . 1.12 111.07 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 44.1 mt-10 -58.26 -39.42 79.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.346 0.593 . . . . 3.27 110.301 176.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -83.24 9.91 9.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.691 -0.686 . . . . 3.43 112.534 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 49' ' ' ALA . 69.8 p -96.72 -24.51 15.92 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.689 -0.856 . . . . 1.22 108.689 166.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.6 ' CE1' ' HB2' ' A' ' 36' ' ' GLU . 11.0 m-70 -74.09 -36.91 64.3 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 108.816 -0.809 . . . . 1.61 108.816 169.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.0 t -107.33 86.35 2.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 114.992 -1.003 . . . . 1.89 109.0 172.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 54' ' ' HIS . 73.2 Cg_exo . . . . . 0 C--N 1.348 0.529 0 C-N-CA 123.304 2.669 . . . . 1.18 113.222 -173.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 CA--C 1.518 -0.251 0 N-CA-C 109.74 -0.467 . . . . 2.13 109.74 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.3 m -124.66 131.7 53.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.388 0.613 . . . . 1.77 111.375 -175.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.436 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 1.9 t -94.57 82.02 3.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.183 -0.917 . . . . 1.01 108.875 178.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -46.3 -43.05 15.47 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.939 0.718 . . . . 5.57 112.939 -173.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.506 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 12.6 mm-40 -61.97 -30.52 70.98 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.4 0.519 . . . . 2.64 112.4 -173.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 14.6 p -124.28 6.11 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.285 -0.566 . . . . 0.89 111.231 -174.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.5 p 54.66 33.01 18.38 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.825 1.25 . . . . 1.96 113.596 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 5.8 tmtt? -101.34 157.52 16.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.475 -0.565 . . . . 3.36 109.475 174.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.18 149.53 46.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.679 0.276 . . . . 1.15 110.743 176.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' A' ' 34' ' ' CYS . 59.1 m-85 -113.76 137.42 51.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.362 -0.381 . . . . 1.14 110.976 -175.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.1 p -90.21 -7.89 52.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.906 -0.588 . . . . 2.11 110.722 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 30.7 m-20 -123.94 133.86 24.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.036 -0.529 . . . . 1.54 110.612 -178.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 21.1 Cg_exo -66.07 -28.98 48.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.244 2.629 . . . . 0.88 112.745 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.04 -24.46 26.36 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.027 0.441 . . . . 1.12 109.93 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.98 -38.87 92.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.736 -0.665 . . . . 1.13 109.754 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 47.3 t -67.08 -40.3 86.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.701 -0.682 . . . . 1.28 109.673 173.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 84.0 tttt -63.41 -49.85 72.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.533 -0.758 . . . . 2.8 110.701 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.66 -33.69 76.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.45 -0.796 . . . . 1.1 110.425 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.415 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 23.1 t60 -78.24 -28.33 47.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.658 -0.701 . . . . 1.12 110.752 -177.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 37.6 mt-10 -56.41 -35.81 68.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.749 0.785 . . . . 3.27 109.195 169.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 62.1 mmtt -82.59 -7.47 59.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.773 -1.103 . . . . 3.43 111.591 -177.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.2 p -99.65 -32.74 10.92 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.756 -0.378 . . . . 1.22 111.1 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.506 ' CE1' ' HB2' ' A' ' 36' ' ' GLU . 3.0 m-70 -72.08 -35.81 69.35 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.28 0.562 . . . . 1.61 109.559 173.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.3 t -119.43 88.41 38.25 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.307 -0.997 . . . . 1.89 108.307 170.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 18.0 Cg_exo . . . . . 0 C--O 1.236 0.376 0 C-N-CA 123.224 2.616 . . . . 1.18 113.846 -170.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.456 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 95.6 m-85 . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 121.473 0.654 . . . . 2.13 110.714 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.2 m -84.63 100.83 11.69 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.047 -0.979 . . . . 1.77 110.174 177.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 36' ' ' GLU . 47.5 t -97.22 108.1 20.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.055 -0.52 . . . . 1.01 110.453 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 35' ' ' ARG . 39.1 mtm180 -79.25 -14.04 59.29 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.882 -0.327 . . . . 5.57 111.13 -179.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.458 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 9.3 tp10 -61.32 -43.59 98.62 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.216 0.531 . . . . 2.64 110.885 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.563 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 25.4 p -113.59 0.19 14.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.833 -0.621 . . . . 0.89 110.088 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 m 68.2 11.25 8.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.233 -0.894 . . . . 1.96 111.749 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 62.2 mttp -102.75 142.43 33.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.356 -0.383 . . . . 3.36 110.646 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.22 128.42 52.41 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.213 -0.449 . . . . 1.15 110.445 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.538 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 79.4 m-85 -113.31 154.04 27.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.34 -0.391 . . . . 1.14 110.468 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.09 -5.25 14.81 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.942 -0.572 . . . . 2.11 109.662 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.454 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 7.7 m-20 -106.02 120.24 49.59 Favored Pre-proline 0 C--O 1.234 0.265 0 CA-C-N 115.751 -0.659 . . . . 1.54 109.503 178.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 52.6 Cg_exo -55.99 -34.89 93.5 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.663 2.909 . . . . 0.88 113.582 -174.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.2 -23.8 21.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.874 0.369 . . . . 1.12 110.902 -176.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -71.98 -40.86 68.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.713 -0.477 . . . . 1.13 109.713 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.538 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 51.9 t -69.61 -34.21 73.76 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.784 -0.644 . . . . 1.28 109.6 173.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.659 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 47.9 tttp -64.92 -50.3 67.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.962 -0.563 . . . . 2.8 109.966 -177.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.418 ' O ' HG22 ' A' ' 53' ' ' THR . . . -62.04 -42.6 99.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.347 0.594 . . . . 1.1 110.252 -178.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.563 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 55.6 t60 -62.77 -48.08 80.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.073 -0.967 . . . . 1.12 111.278 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 56.7 mm-40 -67.54 -32.37 73.1 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.924 0.392 . . . . 3.27 111.381 -177.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.659 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 32.6 mmmt -55.97 -37.23 68.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.057 -0.52 . . . . 3.43 110.796 172.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 49' ' ' ALA . 28.9 p -78.02 -24.63 47.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.602 -0.272 . . . . 1.22 111.463 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.414 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -58.82 -43.02 90.53 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.171 0.51 . . . . 1.61 110.396 176.158 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 t -113.44 78.07 3.4 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 107.786 -1.19 . . . . 1.89 107.786 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo . . . . . 0 N--CA 1.462 -0.356 0 C-N-CA 122.775 2.317 . . . . 1.18 112.714 -168.227 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.488 -0.56 . . . . 2.13 109.488 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.543 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 10.4 t -148.45 154.5 39.96 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.238 0.542 . . . . 1.77 110.655 -178.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.7 t -104.8 103.55 13.18 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.96 -0.756 . . . . 1.01 108.96 176.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -59.72 -44.46 93.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.571 -0.74 . . . . 5.57 111.387 -172.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.31 -37.37 85.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.275 -0.875 . . . . 2.64 113.279 -172.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.4 p -115.32 -3.08 12.5 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.574 -0.85 . . . . 0.89 111.852 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t 72.41 21.12 3.81 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.585 0.754 . . . . 1.96 112.509 172.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -101.41 137.95 39.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.119 -0.363 . . . . 3.36 110.029 175.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.543 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -108.03 159.39 16.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.991 0.424 . . . . 1.15 111.867 -176.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.61 147.84 45.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.681 -0.69 . . . . 1.14 110.604 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.8 p -96.35 -8.48 32.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.982 -0.554 . . . . 2.11 110.698 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 9.7 m-20 -113.53 128.72 25.38 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 1.54 110.52 -177.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 24.5 Cg_exo -63.13 -35.12 66.41 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.464 2.776 . . . . 0.88 113.162 -176.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.84 -21.47 23.69 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.935 0.398 . . . . 1.12 110.104 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.12 -39.05 79.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.259 -0.645 . . . . 1.13 109.259 173.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 45.1 t -68.43 -38.88 81.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.526 -0.761 . . . . 1.28 109.763 174.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -64.12 -43.4 95.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.043 0.449 . . . . 2.8 110.465 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 52' ' ' LYS . . . -69.09 -32.18 71.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.517 0.675 . . . . 1.1 110.208 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -69.7 -39.39 76.94 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.061 -0.972 . . . . 1.12 110.264 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 46.0 mt-10 -64.79 -24.62 67.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.543 0.687 . . . . 3.27 110.313 176.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 29.4 mmtp -72.85 -21.32 60.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.188 -0.914 . . . . 3.43 111.176 175.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.6 p -87.7 -29.14 21.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.369 -0.532 . . . . 1.22 111.335 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -75.51 -17.99 59.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.333 0.587 . . . . 1.61 109.95 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 m -118.61 76.19 13.28 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.631 -0.878 . . . . 1.89 108.631 169.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo . . . . . 0 C--O 1.237 0.43 0 C-N-CA 122.682 2.255 . . . . 1.18 112.716 -171.215 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.9 t80 . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 108.931 -0.766 . . . . 2.13 108.931 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.7 m -126.45 98.83 5.58 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.227 -0.442 . . . . 1.77 110.477 -177.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.424 ' SG ' ' OE2' ' A' ' 51' ' ' GLU . 44.4 t -77.2 89.05 3.66 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.643 -0.873 . . . . 1.01 108.643 174.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -74.59 -6.46 48.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.204 -0.453 . . . . 5.57 110.582 -175.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.39 -47.35 76.64 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.841 -0.618 . . . . 2.64 110.495 173.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 21.7 p -107.6 -2.8 19.92 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.33 0.586 . . . . 0.89 110.185 177.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 t 68.51 19.23 8.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.626 -1.17 . . . . 1.96 111.008 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.525 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 64.3 mttp -101.34 121.03 41.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.913 -0.403 . . . . 3.36 109.913 176.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.51 149.6 26.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.138 -0.483 . . . . 1.15 110.597 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.578 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 96.1 m-85 -137.94 148.13 44.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 1.14 110.636 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.1 p -88.11 -15.0 37.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.641 -0.709 . . . . 2.11 110.956 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 45.1 m-20 -107.63 118.68 52.63 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.398 -0.365 . . . . 1.54 110.025 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 31.4 Cg_exo -59.9 -28.65 87.65 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 123.547 2.831 . . . . 0.88 113.718 -176.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.64 -22.53 21.15 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.524 -0.47 . . . . 1.12 110.585 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.403 ' CB ' ' HB2' ' A' ' 43' ' ' ASP . . . -69.36 -43.44 73.6 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.045 -0.525 . . . . 1.13 109.629 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.578 ' HB3' ' HB2' ' A' ' 41' ' ' PHE . 7.4 p -71.26 -29.13 64.71 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.754 -0.657 . . . . 1.28 110.143 175.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 1.5 tmtp? -66.31 -43.43 86.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.899 -0.592 . . . . 2.8 109.621 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.81 -34.45 77.83 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.475 0.655 . . . . 1.1 110.047 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.514 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 39.5 t60 -68.35 -42.0 79.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.282 -0.872 . . . . 1.12 110.998 176.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 28.7 mm-40 -67.05 -24.86 66.03 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.475 0.655 . . . . 3.27 110.386 178.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 33.9 mtpt -71.56 -14.81 62.2 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.426 -0.806 . . . . 3.43 111.37 172.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.5 p -87.08 -20.9 26.45 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 119.827 -0.749 . . . . 1.22 109.655 173.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 31.3 m-70 -62.05 -34.26 75.92 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 109.185 -0.672 . . . . 1.61 109.185 169.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.8 p -115.85 79.72 8.17 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.401 -0.818 . . . . 1.89 109.691 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo . . . . . 0 C--N 1.351 0.686 0 C-N-CA 124.224 3.282 . . . . 1.18 113.951 -170.576 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.277 0.561 . . . . 2.13 110.82 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.1 t -100.95 99.07 9.48 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.523 -0.762 . . . . 1.77 109.964 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.402 ' SG ' ' OE2' ' A' ' 51' ' ' GLU . 43.2 t -78.65 107.65 11.49 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.214 -0.661 . . . . 1.01 109.214 176.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -71.72 -32.08 67.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.554 -0.294 . . . . 5.57 111.017 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -57.54 -50.19 73.9 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.948 -0.569 . . . . 2.64 112.002 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.503 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 19.7 p -101.84 -4.18 26.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.361 0.6 . . . . 0.89 110.044 178.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.1 m 67.53 15.46 9.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.755 -1.112 . . . . 1.96 111.963 177.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -100.8 119.71 39.05 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.82 -0.437 . . . . 3.36 109.82 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.95 146.53 25.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.363 -0.38 . . . . 1.15 110.416 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.538 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 61.2 m-85 -128.14 155.2 44.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.249 -0.432 . . . . 1.14 110.51 177.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 p -106.38 -4.56 19.82 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.833 -0.621 . . . . 2.11 110.234 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.45 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 39.9 m-20 -106.6 116.61 58.68 Favored Pre-proline 0 N--CA 1.451 -0.407 0 N-CA-C 109.272 -0.64 . . . . 1.54 109.272 177.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.85 -34.21 90.77 Favored 'Trans proline' 0 CA--C 1.52 -0.177 0 C-N-CA 123.578 2.852 . . . . 0.88 113.682 -174.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.501 ' HA ' ' HB3' ' A' ' 48' ' ' LYS . . . -90.36 -21.74 21.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 1.12 110.765 -176.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -70.53 -42.72 70.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.324 0.583 . . . . 1.13 109.513 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.538 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 42.5 t -68.83 -34.64 75.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.45 -0.796 . . . . 1.28 109.558 173.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.501 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 1.8 tmtp? -66.91 -45.12 78.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.951 -0.568 . . . . 2.8 110.588 -177.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.68 -43.32 84.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.26 0.552 . . . . 1.1 110.189 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.503 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 44.0 t60 -62.05 -43.18 99.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.125 -0.943 . . . . 1.12 111.507 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 49.8 mm-40 -68.96 -28.92 67.06 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.239 0.542 . . . . 3.27 111.408 -178.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -70.23 -14.73 62.75 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.781 -0.645 . . . . 3.43 111.555 174.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.6 p -90.64 -19.73 23.32 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.384 -0.526 . . . . 1.22 110.33 172.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.509 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 8.9 m-70 -60.69 -40.98 94.19 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.213 0.53 . . . . 1.61 109.786 170.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -102.59 90.32 2.16 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.289 -0.868 . . . . 1.89 109.052 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo . . . . . 0 C--N 1.35 0.636 0 C-N-CA 123.177 2.585 . . . . 1.18 112.758 -170.535 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 CA--C 1.514 -0.441 0 N-CA-C 109.364 -0.606 . . . . 2.13 109.364 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -131.26 118.84 20.95 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.972 0.415 . . . . 1.77 111.059 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.523 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 0.5 OUTLIER -77.49 85.09 3.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.269 -1.012 . . . . 1.01 108.269 172.672 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -49.85 -45.89 50.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.964 -1.017 . . . . 5.57 113.473 -170.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.805 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 1.4 pm0 -71.28 -18.22 62.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.767 0.655 . . . . 2.64 112.767 -172.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.805 ' SG ' ' HG2' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -137.77 23.82 2.87 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.128 0.418 . . . . 0.89 112.128 -174.844 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 p 48.54 28.06 1.64 Allowed 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.439 1.274 . . . . 1.96 114.439 170.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 37' ' ' CYS . 42.4 mmtm -102.69 103.18 13.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.037 -0.414 . . . . 3.36 111.26 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.05 152.24 18.5 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.993 -0.283 . . . . 1.15 110.612 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -135.04 157.0 48.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.126 -0.488 . . . . 1.14 110.625 -178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.6 t -108.12 -10.73 15.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.612 -0.722 . . . . 2.11 109.188 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.413 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 12.9 m-20 -102.77 118.95 57.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.436 -0.802 . . . . 1.54 109.893 178.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.97 -32.86 94.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 123.035 2.49 . . . . 0.88 112.801 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.18 -23.48 30.55 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.209 0.528 . . . . 1.12 110.329 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' ' 43' ' ' ASP . . . -69.37 -43.4 73.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.7 -0.682 . . . . 1.13 109.561 175.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.0 t -72.12 -24.28 61.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.678 -0.692 . . . . 1.28 109.627 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -69.73 -47.78 61.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.054 -0.521 . . . . 2.8 110.005 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.86 -39.57 79.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.753 -0.658 . . . . 1.1 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.523 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 17.2 t60 -65.4 -33.08 75.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.767 -0.651 . . . . 1.12 110.282 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -66.95 -32.27 73.4 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.011 0.434 . . . . 3.27 110.204 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -71.15 -25.4 62.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.021 -0.536 . . . . 3.43 110.932 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.2 p -84.2 -8.6 59.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.962 0.41 . . . . 1.22 111.144 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -102.36 8.7 40.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.552 0.691 . . . . 1.61 109.575 170.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.1 m -149.83 69.12 9.19 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.145 -0.934 . . . . 1.89 108.676 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo . . . . . 0 C--N 1.349 0.579 0 C-N-CA 123.28 2.654 . . . . 1.18 113.297 -171.058 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.44 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 77.0 m-85 . . . . . 0 C--O 1.236 0.365 0 CA-C-O 121.746 0.784 . . . . 2.13 110.592 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -76.02 99.84 4.72 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.442 -1.253 . . . . 1.77 110.831 -178.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.5 t -72.38 124.31 24.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.78 -0.645 . . . . 1.01 110.38 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 35' ' ' ARG . 1.7 ptm180 -77.01 -20.43 56.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.355 -0.384 . . . . 5.57 111.902 -176.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.488 ' HG2' ' CD2' ' A' ' 54' ' ' HIS . 8.9 tp10 -73.94 -50.45 19.99 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 120.62 0.248 . . . . 2.64 111.342 -175.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.557 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 28.3 p -104.34 -1.98 26.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.09 0.472 . . . . 0.89 110.593 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.5 m 66.08 11.72 7.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.037 -0.983 . . . . 1.96 111.179 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.431 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 56.2 tptt -101.08 131.97 46.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 3.36 110.374 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.92 145.65 28.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.555 -0.293 . . . . 1.15 110.4 176.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.545 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 56.1 m-85 -128.99 122.39 29.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.373 -0.376 . . . . 1.14 110.575 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 p -78.5 11.8 2.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.13 -0.486 . . . . 2.11 111.485 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.503 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 26.9 m-20 -125.98 112.02 24.42 Favored Pre-proline 0 N--CA 1.453 -0.307 0 N-CA-C 109.233 -0.655 . . . . 1.54 109.233 176.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.37 -29.01 82.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.981 2.454 . . . . 0.88 113.386 -175.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.29 -25.53 20.48 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.812 -0.355 . . . . 1.12 110.693 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -71.42 -41.48 69.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.335 -0.617 . . . . 1.13 109.335 176.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.545 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 36.3 t -66.13 -33.27 75.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.111 -0.949 . . . . 1.28 109.166 174.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HB3' ' HE2' ' A' ' 48' ' ' LYS . 35.2 ttpt -63.64 -48.76 75.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 2.8 110.407 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.429 ' O ' HG21 ' A' ' 53' ' ' THR . . . -65.59 -41.28 92.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.454 0.645 . . . . 1.1 110.433 -178.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.557 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 37.7 t60 -64.97 -45.42 85.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.233 -0.894 . . . . 1.12 111.152 178.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -66.1 -32.73 74.36 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.107 0.479 . . . . 3.27 111.19 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -66.13 -16.26 63.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.99 -0.55 . . . . 3.43 111.752 175.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.429 HG21 ' O ' ' A' ' 49' ' ' ALA . 35.2 p -92.19 -20.39 21.25 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.285 -0.566 . . . . 1.22 110.799 176.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.488 ' CD2' ' HG2' ' A' ' 36' ' ' GLU . 2.1 m-70 -62.61 -41.76 99.18 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.357 0.599 . . . . 1.61 109.572 171.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -112.36 91.26 16.04 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 114.96 -1.018 . . . . 1.89 108.654 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo . . . . . 0 C--N 1.349 0.573 0 C-N-CA 124.698 3.599 . . . . 1.18 114.508 -171.771 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 CA--C 1.52 -0.193 0 N-CA-C 109.732 -0.47 . . . . 2.13 109.732 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.9 m -146.07 128.48 15.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.122 0.487 . . . . 1.77 110.877 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.1 t -74.98 104.02 5.41 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.736 -0.839 . . . . 1.01 108.736 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 35' ' ' ARG . 41.0 mtp180 -62.43 -40.56 96.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.298 -0.41 . . . . 5.57 112.085 -171.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 2.0 pm0 -64.04 -50.23 69.24 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.605 0.594 . . . . 2.64 112.605 -175.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.9 p -104.96 -6.29 20.23 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 119.973 -0.691 . . . . 0.89 111.368 -173.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m 69.42 31.49 3.79 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.159 -0.928 . . . . 1.96 112.421 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -100.13 135.14 42.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.113 -0.699 . . . . 3.36 109.113 173.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.09 154.78 30.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.209 0.528 . . . . 1.15 112.184 -173.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -142.82 158.52 43.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.345 -0.843 . . . . 1.14 109.588 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.0 m -109.89 -5.06 15.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.133 0.492 . . . . 2.11 110.361 175.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.05 120.53 51.99 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 1.54 110.534 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.91 -26.25 82.8 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 123.413 2.742 . . . . 0.88 112.969 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.0 -26.71 22.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.258 0.551 . . . . 1.12 110.264 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.89 -40.88 78.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.718 -0.674 . . . . 1.13 109.349 175.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -73.05 -22.81 60.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.597 -0.728 . . . . 1.28 109.83 175.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 31.7 tttp -70.11 -45.79 66.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.599 -0.728 . . . . 2.8 109.526 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.32 69.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.75 -0.659 . . . . 1.1 110.107 176.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -65.8 -36.2 82.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.334 -0.848 . . . . 1.12 110.132 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' HB3' ' O ' ' A' ' 48' ' ' LYS . 6.3 tp10 -60.55 -33.77 73.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.679 -0.692 . . . . 3.27 110.189 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 99.7 mttt -75.63 -15.0 60.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.439 -0.801 . . . . 3.43 111.701 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.5 p -92.78 -29.01 16.22 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.813 -0.355 . . . . 1.22 111.253 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -84.32 -28.18 27.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.106 0.479 . . . . 1.61 109.817 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.7 t -120.53 78.93 29.17 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 108.205 -1.035 . . . . 1.89 108.205 169.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.496 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 26.9 Cg_exo . . . . . 0 C--O 1.234 0.281 0 C-N-CA 122.864 2.376 . . . . 1.18 112.999 -171.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.363 -0.606 . . . . 2.13 109.363 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 p -105.11 117.2 33.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.947 -0.57 . . . . 1.77 111.458 -175.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.412 ' SG ' ' HG2' ' A' ' 36' ' ' GLU . 28.8 t -80.06 85.72 5.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.669 -0.863 . . . . 1.01 108.669 175.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.479 ' NE ' ' HA ' ' A' ' 35' ' ' ARG . 2.6 tpm_? -58.08 -29.66 65.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.454 -0.794 . . . . 5.57 111.871 -173.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.412 ' HG2' ' SG ' ' A' ' 34' ' ' CYS . 1.6 pm0 -68.43 -32.69 72.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.022 0.749 . . . . 2.64 113.022 -175.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.5 p -119.56 -0.4 10.84 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 119.86 -0.736 . . . . 0.89 111.853 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.1 t 78.69 7.08 2.27 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.547 -0.751 . . . . 1.96 112.711 172.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -97.75 134.68 40.59 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.89 -0.506 . . . . 3.36 110.644 176.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.9 151.5 46.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.406 -0.361 . . . . 1.15 111.399 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -131.73 166.08 22.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.076 -0.511 . . . . 1.14 110.071 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t -110.17 -1.23 17.52 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.081 -0.711 . . . . 2.11 109.081 174.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.482 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 7.5 m-20 -99.53 115.53 65.58 Favored Pre-proline 0 N--CA 1.451 -0.421 0 CA-C-N 115.705 -0.68 . . . . 1.54 109.326 178.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.0 -29.78 90.09 Favored 'Trans proline' 0 N--CA 1.466 -0.11 0 C-N-CA 122.933 2.422 . . . . 0.88 112.856 -177.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.39 -25.65 20.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.954 0.406 . . . . 1.12 110.413 -177.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -70.72 -37.22 73.51 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.068 -0.716 . . . . 1.13 109.068 176.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.96 -26.46 59.61 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.02 -0.991 . . . . 1.28 109.828 174.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -70.23 -40.69 74.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.127 0.489 . . . . 2.8 110.019 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.44 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . . . -70.81 -28.26 64.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.643 0.735 . . . . 1.1 110.039 175.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -75.9 -29.52 58.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.887 -1.051 . . . . 1.12 110.151 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -70.81 -42.96 69.58 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.496 -0.774 . . . . 3.27 110.336 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.44 ' HG2' ' HA ' ' A' ' 49' ' ' ALA . 19.2 ptpt -76.44 -5.01 45.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.172 -0.467 . . . . 3.43 111.297 -177.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.42 HG22 ' O ' ' A' ' 49' ' ' ALA . 40.5 p -94.02 -21.33 19.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.207 -0.308 . . . . 1.22 110.75 173.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -86.02 -40.79 15.43 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.178 0.513 . . . . 1.61 109.782 169.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.8 m -106.94 84.75 1.65 Allowed Pre-proline 0 N--CA 1.448 -0.553 0 CA-C-N 115.491 -0.777 . . . . 1.89 109.141 171.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo . . . . . 0 N--CA 1.459 -0.512 0 C-N-CA 122.582 2.188 . . . . 1.18 112.541 -173.203 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 120.889 0.376 . . . . 2.13 111.22 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.9 m -105.38 117.14 33.26 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.96 -0.564 . . . . 1.77 110.193 175.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.3 t -76.79 92.48 3.59 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.458 -0.571 . . . . 1.01 109.458 176.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -62.81 -20.36 64.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 5.57 110.937 -175.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -63.15 -34.95 78.72 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.811 -0.631 . . . . 2.64 111.466 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.3 p -134.11 5.86 3.59 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.757 -0.377 . . . . 0.89 111.798 -176.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 t 74.65 0.89 3.68 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.56 0.744 . . . . 1.96 112.139 174.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.618 ' HZ1' ' HB2' ' A' ' 39' ' ' LYS . 4.7 ttmp? -90.24 127.52 36.16 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.003 -0.436 . . . . 3.36 110.623 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.38 160.3 16.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.854 0.359 . . . . 1.15 111.353 -178.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -141.69 154.47 45.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 1.14 110.7 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.0 t -97.24 -11.63 23.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.7 -0.682 . . . . 2.11 109.55 176.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -97.62 118.74 63.85 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.886 -0.597 . . . . 1.54 110.421 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 34.7 Cg_exo -60.59 -29.29 88.19 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 123.163 2.575 . . . . 0.88 113.102 -178.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.12 -22.55 22.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.126 0.489 . . . . 1.12 110.184 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.17 -41.05 70.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.862 -0.608 . . . . 1.13 109.845 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.94 -23.04 58.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.316 0.579 . . . . 1.28 109.697 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 79.9 tttt -71.68 -47.43 54.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.409 -0.814 . . . . 2.8 109.706 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.23 -24.57 61.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.514 0.673 . . . . 1.1 109.857 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.429 ' HE1' ' HD2' ' A' ' 39' ' ' LYS . 30.2 t60 -63.89 -36.5 84.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.976 -1.011 . . . . 1.12 110.241 176.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -68.05 -38.77 82.84 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.082 0.468 . . . . 3.27 109.884 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 46.5 mttp -62.5 -24.84 67.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.798 -0.637 . . . . 3.43 111.504 177.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.4 p -88.14 -14.75 37.92 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.737 -0.385 . . . . 1.22 111.855 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -83.37 -39.75 20.29 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.735 -0.469 . . . . 1.61 109.735 172.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -118.25 82.22 18.1 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.423 -0.954 . . . . 1.89 108.423 173.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 24.0 Cg_exo . . . . . 0 C--N 1.345 0.39 0 C-N-CA 123.273 2.649 . . . . 1.18 113.449 -169.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.1 mptt . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 120.617 0.246 . . . . 5.55 110.352 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -81.09 -3.95 12.41 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.804 2.336 . . . . 2.27 111.605 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -132.79 114.92 14.68 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.61 -0.723 . . . . 2.13 109.514 -177.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.552 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 20.5 t -128.91 130.58 46.99 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.806 0.336 . . . . 1.77 110.507 -179.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 43.2 t -73.9 108.05 6.49 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.53 -0.545 . . . . 1.01 109.53 174.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -66.12 -33.28 75.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.956 -0.565 . . . . 5.57 111.102 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -53.88 30.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.35 0.595 . . . . 2.64 111.498 -174.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.403 ' C ' ' HG ' ' A' ' 38' ' ' SER . 1.8 p -116.57 12.8 15.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.349 -0.841 . . . . 0.89 111.992 -172.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.403 ' HG ' ' C ' ' A' ' 37' ' ' CYS . 83.5 p 56.86 31.82 20.32 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 114.597 -1.183 . . . . 1.96 113.604 173.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -101.56 107.91 19.32 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.931 -0.396 . . . . 3.36 109.931 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.552 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -92.8 156.83 16.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.904 0.383 . . . . 1.15 111.631 -177.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -136.26 159.61 41.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.805 -0.634 . . . . 1.14 111.006 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.6 m -107.69 -8.92 15.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.172 -0.922 . . . . 2.11 109.596 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.591 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 7.1 t70 -100.76 125.38 38.89 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.461 -0.79 . . . . 1.54 109.61 176.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.02 -21.38 56.56 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.608 2.205 . . . . 0.88 112.171 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.1 -33.54 14.72 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.641 0.257 . . . . 1.12 110.347 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.591 ' CB ' ' HB3' ' A' ' 43' ' ' ASP . . . -59.67 -43.73 93.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.193 0.52 . . . . 1.13 109.768 175.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.4 t -69.9 -28.6 65.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.472 -0.785 . . . . 1.28 110.385 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 16.8 tppt? -71.31 -41.34 70.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.422 -0.354 . . . . 2.8 110.21 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.09 68.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.462 0.648 . . . . 1.1 110.063 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -73.73 -30.37 62.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.043 -0.98 . . . . 1.12 110.238 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.23 -41.03 99.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 115.457 -0.792 . . . . 3.27 110.123 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.779 ' HD2' HD23 ' A' ' 57' ' ' LEU . 71.9 mmtt -77.31 -9.15 58.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.198 -0.91 . . . . 3.43 111.595 -174.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.9 p -96.55 -20.63 18.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.891 0.377 . . . . 1.22 111.093 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -86.94 -19.38 28.87 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.302 0.572 . . . . 1.61 109.638 170.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.3 m -128.59 81.9 69.72 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.36 -0.836 . . . . 1.89 109.368 173.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -48.82 135.16 28.58 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.583 2.855 . . . . 1.18 112.968 -174.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.779 HD23 ' HD2' ' A' ' 52' ' ' LYS . 21.5 mt -82.83 -29.68 29.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.372 -0.831 . . . . 2.69 110.508 -175.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm . . . . . 0 C--O 1.246 0.871 0 CA-C-N 115.358 -0.837 . . . . 4.1 110.302 178.476 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.494 ' HD2' ' HB3' ' A' ' 40' ' ' ALA . 36.4 mtmm . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.739 -0.467 . . . . 5.55 109.739 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.86 -24.48 21.11 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.138 2.559 . . . . 2.27 114.046 -170.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -111.77 82.61 1.65 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.178 0.513 . . . . 2.13 110.62 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.4 m -97.55 101.9 13.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.741 -0.663 . . . . 1.77 110.78 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.2 t -86.28 99.71 11.76 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.299 -0.63 . . . . 1.01 109.299 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -65.85 -21.14 66.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.298 -0.41 . . . . 5.57 111.798 -174.344 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.452 ' N ' ' HD3' ' A' ' 35' ' ' ARG . 8.4 tp10 -67.05 -47.29 71.77 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 111.91 0.337 . . . . 2.64 111.91 -175.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -104.72 -1.72 25.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.959 0.409 . . . . 0.89 110.354 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.4 t 70.82 19.12 5.97 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.206 -0.906 . . . . 1.96 111.41 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -101.67 134.72 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 3.36 110.369 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.494 ' HB3' ' HD2' ' A' ' 30' ' ' LYS . . . -120.44 115.84 24.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.226 -0.443 . . . . 1.15 110.303 177.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -104.16 149.96 24.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.11 0.481 . . . . 1.14 111.015 -175.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.3 m -99.62 -9.32 23.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.621 -0.718 . . . . 2.11 109.722 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.573 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 6.1 t70 -99.44 126.64 36.86 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.687 -0.688 . . . . 1.54 109.25 175.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.438 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 24.8 Cg_endo -62.41 -26.88 76.91 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.594 2.196 . . . . 0.88 112.092 177.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . . . -91.12 -29.01 17.53 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.43 -0.35 . . . . 1.12 110.312 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.573 ' CB ' ' HB3' ' A' ' 43' ' ' ASP . . . -63.37 -38.58 91.7 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.087 -0.708 . . . . 1.13 109.087 174.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.8 t -65.54 -44.88 85.49 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 114.972 -1.013 . . . . 1.28 109.59 173.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 44' ' ' PRO . 28.8 mmtp -65.64 -43.72 88.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.579 -0.282 . . . . 2.8 111.668 -175.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.96 -50.17 67.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.268 0.556 . . . . 1.1 110.336 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -64.6 -43.04 95.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.153 -0.931 . . . . 1.12 111.616 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 54' ' ' HIS . 46.7 mm-40 -67.17 -30.3 70.23 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.603 -0.685 . . . . 3.27 111.147 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 52' ' ' LYS . 53.4 mmtt -78.07 5.59 9.67 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.797 -0.638 . . . . 3.43 112.061 173.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.7 p -99.79 -23.1 15.09 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.471 -0.566 . . . . 1.22 109.471 166.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 51' ' ' GLU . 48.6 m-70 -61.93 -41.86 98.43 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.451 -0.944 . . . . 1.61 108.451 169.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 p -115.3 81.8 8.69 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 114.751 -1.113 . . . . 1.89 108.689 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -65.92 136.95 47.03 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.921 2.414 . . . . 1.18 112.621 -171.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.01 -23.28 63.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.415 -0.811 . . . . 2.69 110.086 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.8 tptp . . . . . 0 C--O 1.243 0.756 0 CA-C-O 118.447 -0.787 . . . . 4.1 109.569 175.698 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 91.8 mttt . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 121.228 0.537 . . . . 5.55 109.92 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 21.9 Cg_exo -64.53 -49.26 3.47 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 124.035 3.157 . . . . 2.27 114.18 -167.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' A' ' 40' ' ' ALA . 95.3 m-85 -92.83 82.73 4.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.214 0.531 . . . . 2.13 110.177 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.5 m -84.38 99.93 10.96 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.404 -0.817 . . . . 1.77 110.761 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 0.5 OUTLIER -87.64 79.95 8.12 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.727 -0.842 . . . . 1.01 108.727 177.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -69.66 -25.79 64.08 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.376 -0.829 . . . . 5.57 113.168 -166.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -24.69 62.41 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.884 -0.726 . . . . 2.64 110.991 -177.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.4 p -114.95 2.38 14.25 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 119.901 -0.72 . . . . 0.89 110.809 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.0 m 65.8 27.88 11.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.028 -0.987 . . . . 1.96 112.081 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -101.6 163.28 12.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.658 0.266 . . . . 3.36 110.529 175.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 32' ' ' PHE . . . -142.52 134.61 27.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.823 0.345 . . . . 1.15 110.096 174.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -120.19 154.98 34.05 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.341 -0.391 . . . . 1.14 110.88 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 m -110.61 -10.1 14.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.366 0.603 . . . . 2.11 109.721 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -101.93 120.59 53.52 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.438 -0.801 . . . . 1.54 109.913 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.16 -29.69 87.43 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 123.091 2.527 . . . . 0.88 113.026 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.78 -23.63 22.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.119 0.485 . . . . 1.12 110.286 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.46 -40.95 76.82 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.347 -0.612 . . . . 1.13 109.347 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 50.1 t -68.59 -33.47 74.12 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.411 -0.813 . . . . 1.28 109.537 173.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -63.04 -43.13 99.51 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.674 -0.694 . . . . 2.8 110.339 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.89 -42.14 70.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.606 -0.725 . . . . 1.1 110.123 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.591 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 71.0 t60 -61.74 -41.01 97.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.141 -0.936 . . . . 1.12 110.486 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 39.1 mt-10 -55.89 -37.52 68.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.135 0.493 . . . . 3.27 110.907 175.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 52' ' ' LYS . 41.0 mmtm -78.97 -2.66 41.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.755 -0.657 . . . . 3.43 112.144 -176.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.5 p -94.51 -29.34 14.97 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.549 -0.461 . . . . 1.22 109.782 171.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -76.28 -37.61 57.31 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.194 -0.669 . . . . 1.61 109.194 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 m -115.05 79.0 5.9 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.292 -0.867 . . . . 1.89 109.068 172.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -63.18 153.5 73.64 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.074 2.516 . . . . 1.18 112.536 -172.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 57' ' ' LEU . 5.1 mp -95.99 -40.05 9.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.628 -0.715 . . . . 2.69 109.102 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.567 ' HZ1' ' HB2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.944 0 CA-C-N 114.92 -1.037 . . . . 4.1 109.272 173.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 61.2 mttp . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 109.866 -0.42 . . . . 5.55 109.866 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.489 ' HG2' ' HA ' ' A' ' 42' ' ' SER . 14.7 Cg_endo -57.2 -38.05 96.29 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.408 2.739 . . . . 2.27 113.095 -175.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 91.4 m-85 -132.76 96.92 3.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.157 0.503 . . . . 2.13 109.797 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.3 t -114.63 107.55 15.63 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.582 -0.735 . . . . 1.77 109.891 -177.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 36' ' ' GLU . 40.4 t -89.64 94.94 10.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.751 -0.659 . . . . 1.01 109.807 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -69.39 -9.1 52.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 5.57 111.238 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 11.3 tp10 -68.21 -42.22 80.15 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 116.391 -0.368 . . . . 2.64 110.584 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 38' ' ' SER . 25.9 p -117.91 -3.89 11.14 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 121.002 -0.279 . . . . 0.89 111.345 -178.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 69.5 m 72.78 19.61 3.87 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.319 0.648 . . . . 1.96 112.181 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -100.77 149.74 23.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.172 -0.307 . . . . 3.36 110.172 175.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.53 140.94 51.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.839 0.352 . . . . 1.15 110.686 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 55.0 m-85 -132.56 156.12 47.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.153 -0.476 . . . . 1.14 109.791 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.489 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 48.7 m -110.06 -0.42 18.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.113 0.483 . . . . 2.11 110.157 176.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.571 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 7.2 t70 -104.36 124.74 36.24 Favored Pre-proline 0 C--O 1.235 0.334 0 N-CA-C 108.903 -0.777 . . . . 1.54 108.903 176.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.65 -24.22 77.98 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.92 2.414 . . . . 0.88 112.257 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.69 -25.33 18.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.846 0.355 . . . . 1.12 111.127 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.571 ' CB ' ' HB3' ' A' ' 43' ' ' ASP . . . -67.46 -47.66 69.46 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.139 0.495 . . . . 1.13 109.788 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 15.6 p -67.4 -34.51 77.4 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.663 -0.699 . . . . 1.28 109.459 175.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 87.0 tttt -61.76 -46.35 89.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.05 -0.523 . . . . 2.8 110.171 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.81 -42.34 90.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.201 0.525 . . . . 1.1 110.857 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -72.71 -30.77 64.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.396 -0.82 . . . . 1.12 111.93 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 48.9 mm-40 -78.11 -30.09 49.27 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.359 0.599 . . . . 3.27 110.391 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 30.2 mtpp -64.27 -23.88 67.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.554 -0.748 . . . . 3.43 110.902 172.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.4 p -90.31 -10.39 44.3 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.86 -0.336 . . . . 1.22 110.769 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 5.5 m-70 -67.4 -42.28 83.56 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.232 0.539 . . . . 1.61 109.555 170.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.4 t -127.58 98.54 28.38 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.406 -0.815 . . . . 1.89 109.111 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.22 119.59 6.95 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.771 2.314 . . . . 1.18 112.397 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -87.06 -40.83 14.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.532 -0.758 . . . . 2.69 109.384 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.076 -0.966 . . . . 4.1 109.982 174.778 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 109.74 -0.467 . . . . 5.55 109.74 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.02 -43.85 10.91 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 2.274 . . . . 2.27 112.25 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -135.39 142.01 45.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.369 -0.378 . . . . 2.13 110.039 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 57.6 m -147.52 120.72 8.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.067 -0.515 . . . . 1.77 110.611 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.53 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 0.5 OUTLIER -76.39 95.83 3.89 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.79 -1.189 . . . . 1.01 107.79 173.192 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -79.42 0.05 30.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.064 0.764 . . . . 5.57 113.064 -164.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.3 -22.92 11.83 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.484 -0.486 . . . . 2.64 111.23 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.431 ' HB3' ' HE1' ' A' ' 54' ' ' HIS . 14.6 p -109.59 -9.67 14.87 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 120.523 -0.471 . . . . 0.89 109.92 172.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.9 t 74.48 24.14 1.83 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.076 -0.965 . . . . 1.96 111.924 173.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -102.16 122.74 44.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.693 -0.23 . . . . 3.36 110.664 177.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -93.42 161.17 14.49 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.219 -0.301 . . . . 1.15 111.234 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -139.68 147.63 41.24 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.151 -0.477 . . . . 1.14 110.795 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 p -94.33 -15.13 24.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.732 -0.667 . . . . 2.11 110.987 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.46 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 4.8 m-20 -114.41 131.42 23.31 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.511 . . . . 1.54 110.985 -172.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 21.0 Cg_exo -65.75 -34.23 41.23 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.439 2.759 . . . . 0.88 112.713 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.526 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . . . -84.79 -24.57 28.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.19 0.519 . . . . 1.12 110.08 -177.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.97 -45.07 71.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.615 -0.721 . . . . 1.13 109.142 175.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.461 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 44.5 t -67.45 -28.45 67.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.44 -0.8 . . . . 1.28 109.886 174.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.526 ' HB2' ' HA ' ' A' ' 45' ' ' ALA . 7.2 tptp -69.23 -45.7 69.15 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.117 -0.492 . . . . 2.8 110.019 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.99 -32.76 69.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.772 -0.649 . . . . 1.1 109.939 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.53 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 20.4 t60 -74.1 -29.64 61.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.141 -0.936 . . . . 1.12 110.325 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 28.4 mt-10 -59.18 -38.68 80.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.138 0.494 . . . . 3.27 109.767 171.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.573 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 10.4 mmpt? -80.12 -5.67 56.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.447 -0.797 . . . . 3.43 111.861 -175.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.7 p -92.47 -22.97 19.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.044 0.45 . . . . 1.22 110.321 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.573 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 28.6 m-70 -88.28 -35.47 17.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.353 0.597 . . . . 1.61 109.673 170.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.7 t -109.02 80.46 1.32 Allowed Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.324 -0.991 . . . . 1.89 108.324 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.573 ' HD3' ' O ' ' A' ' 54' ' ' HIS . 13.9 Cg_exo -68.68 130.22 20.28 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.024 2.482 . . . . 1.18 111.935 -172.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 1.5 mm? -70.39 -37.95 74.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.472 -0.936 . . . . 2.69 108.472 177.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt . . . . . 0 C--O 1.247 0.944 0 CA-C-N 114.73 -1.123 . . . . 4.1 109.358 173.533 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 33' ' ' SER . 35.4 mmtp . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.145 -0.317 . . . . 5.55 110.145 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -89.37 -51.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 123.04 2.493 . . . . 2.27 112.714 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.536 ' CE1' ' HG3' ' A' ' 44' ' ' PRO . 1.3 m-85 -122.12 34.34 5.2 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.497 -0.927 . . . . 2.13 108.497 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.653 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . 3.2 m -99.88 137.54 38.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.673 -1.149 . . . . 1.77 111.052 -175.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.1 t -110.07 138.55 46.29 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.438 -0.801 . . . . 1.01 109.382 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 30.2 ptt180 -90.19 -40.73 12.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.455 -0.339 . . . . 5.57 111.712 -173.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 2.2 pm0 -75.86 -35.56 59.86 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.555 0.576 . . . . 2.64 112.555 -172.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.1 p -99.87 -8.05 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.578 -0.849 . . . . 0.89 109.882 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 m 66.87 11.28 8.21 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.794 -1.094 . . . . 1.96 112.372 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.696 ' HB2' ' HZ3' ' A' ' 39' ' ' LYS . 4.3 ttmp? -100.9 126.38 47.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.514 -0.312 . . . . 3.36 110.707 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -109.6 144.45 37.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.313 -0.403 . . . . 1.15 110.291 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.531 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 60.6 m-85 -115.33 158.09 22.9 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.227 -0.442 . . . . 1.14 110.748 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.0 t -96.33 -3.36 43.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.274 0.559 . . . . 2.11 109.695 175.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -117.71 118.58 34.87 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.719 -0.673 . . . . 1.54 109.923 178.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 32.4 Cg_exo -58.39 -31.78 94.75 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 123.225 2.617 . . . . 0.88 113.077 -177.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.96 -24.76 22.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.816 0.341 . . . . 1.12 110.521 -177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.78 78.29 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.339 -0.615 . . . . 1.13 109.339 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.531 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 44.2 t -68.09 -33.39 74.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.546 -0.752 . . . . 1.28 109.604 174.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -66.04 -39.29 90.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.941 -0.572 . . . . 2.8 110.328 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.68 -44.49 66.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.942 -0.572 . . . . 1.1 110.33 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -62.02 -43.44 98.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.41 -0.814 . . . . 1.12 111.351 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 49.8 mm-40 -66.83 -27.63 67.71 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.143 0.497 . . . . 3.27 111.145 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -65.97 -22.34 66.47 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.766 -0.652 . . . . 3.43 111.826 172.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.5 p -82.42 -21.14 35.86 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.38 -0.528 . . . . 1.22 110.406 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 29.7 m-70 -63.4 -40.96 98.61 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.325 0.583 . . . . 1.61 109.756 170.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.5 m -122.03 76.75 40.81 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.527 -0.76 . . . . 1.89 109.246 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -59.68 151.54 69.33 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.1 2.534 . . . . 1.18 113.03 -170.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 57' ' ' LEU . 5.2 mp -86.26 -40.98 14.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.888 -1.051 . . . . 2.69 109.332 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt . . . . . 0 C--O 1.252 1.223 0 CA-C-N 115.387 -0.824 . . . . 4.1 110.235 171.352 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 39.6 mmtm . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.15 0.5 . . . . 5.55 110.408 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 31.2 Cg_exo -60.2 -50.57 7.03 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.713 2.942 . . . . 2.27 113.306 -174.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -121.3 87.82 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.063 0.459 . . . . 2.13 110.066 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.2 t -97.81 99.17 10.49 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.883 -0.599 . . . . 1.77 109.695 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.513 ' SG ' ' HB3' ' A' ' 36' ' ' GLU . 53.6 t -77.94 105.12 8.93 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.536 -0.757 . . . . 1.01 109.682 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -68.02 -26.38 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 5.57 110.305 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 7.7 tp10 -54.63 -46.66 73.94 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.653 -0.703 . . . . 2.64 111.453 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 27.5 p -115.16 -0.36 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.89 111.342 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 m 65.03 19.85 11.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.481 -0.782 . . . . 1.96 111.796 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -101.25 148.86 24.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 3.36 109.916 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.19 136.65 54.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.874 0.368 . . . . 1.15 111.146 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -127.51 155.61 43.49 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.007 -0.738 . . . . 1.14 109.007 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.3 p -110.03 -7.17 14.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.098 0.475 . . . . 2.11 110.449 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -120.94 125.23 27.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.619 -0.719 . . . . 1.54 110.968 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.551 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 34.1 Cg_exo -60.15 -26.01 81.42 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.596 2.864 . . . . 0.88 113.546 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.92 -24.88 20.05 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.156 0.503 . . . . 1.12 110.541 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.06 -47.66 57.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.778 -0.646 . . . . 1.13 109.747 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 28.4 p -67.92 -25.21 65.36 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.605 -0.725 . . . . 1.28 109.365 174.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 41.8 tttp -64.33 -48.52 75.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.011 -0.541 . . . . 2.8 109.679 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 53' ' ' THR . . . -61.17 -43.57 98.68 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.512 0.672 . . . . 1.1 110.013 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -64.02 -49.39 72.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.744 -1.116 . . . . 1.12 111.471 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 62.4 mm-40 -66.09 -30.64 71.19 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.998 0.428 . . . . 3.27 111.041 -177.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 30.1 mtpp -64.7 -21.29 66.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.026 -0.533 . . . . 3.43 111.196 173.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 49' ' ' ALA . 33.1 p -88.92 -20.16 24.89 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.212 -0.595 . . . . 1.22 110.55 175.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 1.6 m-70 -61.0 -41.39 96.41 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.359 0.6 . . . . 1.61 110.24 172.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.7 m -121.43 88.65 46.36 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.232 -0.895 . . . . 1.89 109.191 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.05 135.51 69.06 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.229 2.62 . . . . 1.18 113.133 -174.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -87.84 2.79 50.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.694 -0.685 . . . . 2.69 109.715 177.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.25 1.086 0 CA-C-N 115.237 -0.892 . . . . 4.1 110.242 178.101 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 mttt . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.808 -0.441 . . . . 5.55 109.808 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -49.83 -52.99 7.8 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.631 2.221 . . . . 2.27 113.423 -169.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -147.93 94.01 2.27 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.467 0.48 . . . . 2.13 110.42 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -100.93 99.76 10.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.165 -0.471 . . . . 1.77 110.155 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.14 136.42 55.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.871 -0.604 . . . . 1.01 109.93 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -90.15 -35.59 15.31 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.89 -0.595 . . . . 5.57 111.96 -170.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -33.14 56.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.03 0.381 . . . . 2.64 112.03 -173.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.5 p -110.1 -2.2 17.08 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 119.857 -0.737 . . . . 0.89 111.209 -177.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.2 m 65.28 14.52 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.409 -0.814 . . . . 1.96 111.96 175.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -100.51 121.92 42.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.843 0.354 . . . . 3.36 110.519 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.09 143.1 27.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.948 -0.569 . . . . 1.15 110.853 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -123.46 142.63 50.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.23 0.538 . . . . 1.14 110.8 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 p -84.49 -16.17 43.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.551 -0.75 . . . . 2.11 110.483 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -121.63 124.37 27.17 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.621 -0.718 . . . . 1.54 110.462 -173.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -59.64 -31.81 94.91 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 123.159 2.573 . . . . 0.88 112.879 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.78 -21.94 29.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.28 0.562 . . . . 1.12 110.185 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.3 -40.26 70.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.504 -0.771 . . . . 1.13 109.248 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 48.1 t -72.21 -25.61 61.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.615 -0.72 . . . . 1.28 109.728 174.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 48' ' ' LYS . 19.9 ttmm -72.17 -40.32 68.03 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.344 0.592 . . . . 2.8 110.48 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.552 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . . . -65.12 -32.46 74.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.753 0.787 . . . . 1.1 109.334 173.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -72.09 -27.49 62.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.735 -1.121 . . . . 1.12 110.717 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 48.4 mt-10 -58.25 -37.83 75.68 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.052 -0.722 . . . . 3.27 109.052 172.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 49' ' ' ALA . 49.7 mtmt -76.28 -9.46 58.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.213 -0.903 . . . . 3.43 111.68 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.5 p -92.83 -23.89 18.68 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.359 -0.536 . . . . 1.22 110.359 174.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -77.2 -40.41 45.3 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.246 -0.649 . . . . 1.61 109.246 172.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 m -111.97 87.74 9.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.114 -0.698 . . . . 1.89 109.114 172.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.06 144.19 70.21 Favored 'Trans proline' 0 N--CA 1.477 0.545 0 C-N-CA 123.855 3.037 . . . . 1.18 113.911 -170.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 52' ' ' LYS . 2.1 mm? -72.8 -30.32 63.98 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.284 -0.871 . . . . 2.69 110.516 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.617 -0.706 . . . . 4.1 109.586 176.045 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.719 -0.474 . . . . 5.55 109.719 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.715 ' HG2' ' HA ' ' A' ' 42' ' ' SER . 6.4 Cg_endo -48.47 -50.94 11.14 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 123.567 2.845 . . . . 2.27 113.627 -170.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -127.2 82.54 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.096 0.474 . . . . 2.13 110.611 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 p -93.76 136.9 33.57 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.757 -0.656 . . . . 1.77 110.669 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.4 t -129.4 102.82 6.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.97 -0.559 . . . . 1.01 110.114 -175.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -64.2 -32.87 74.62 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.778 0.288 . . . . 5.57 111.778 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -51.17 -46.39 62.05 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 122.972 0.509 . . . . 2.64 111.908 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 27.2 p -110.72 -0.43 17.09 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.727 -0.389 . . . . 0.89 111.061 -177.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 m 66.98 17.39 10.5 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.57 -0.741 . . . . 1.96 111.468 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.49 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 74.8 mmtt -101.2 154.67 18.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.988 0.423 . . . . 3.36 110.797 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.59 132.02 20.87 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.761 -0.654 . . . . 1.15 109.855 177.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.563 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 85.0 m-85 -124.76 150.73 45.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.068 0.461 . . . . 1.14 110.844 -176.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.715 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 7.7 m -102.42 -2.3 29.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.632 -0.713 . . . . 2.11 110.137 -178.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 16.5 m-20 -111.59 124.3 32.83 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.671 -0.695 . . . . 1.54 109.949 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 32.4 Cg_exo -58.29 -34.85 99.01 Favored 'Trans proline' 0 CA--C 1.521 -0.147 0 C-N-CA 123.583 2.856 . . . . 0.88 113.216 -175.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.4 -23.9 20.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.835 0.35 . . . . 1.12 110.626 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -67.9 -45.65 73.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.698 -0.482 . . . . 1.13 109.698 176.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.563 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 42.6 t -67.49 -35.73 79.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.706 -0.679 . . . . 1.28 109.363 174.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 54.8 tttp -65.96 -29.86 70.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.648 -0.705 . . . . 2.8 110.634 -177.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.66 -50.81 19.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.301 0.572 . . . . 1.1 110.295 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -59.94 -46.21 90.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.284 -0.871 . . . . 1.12 111.399 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -65.03 -25.18 67.73 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.237 0.541 . . . . 3.27 110.834 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.78 ' HD2' HD12 ' A' ' 57' ' ' LEU . 30.9 mtmm -69.78 -16.08 63.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.865 -0.607 . . . . 3.43 111.669 172.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.3 p -84.77 -27.66 26.74 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.088 -0.645 . . . . 1.22 109.765 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -61.33 -41.75 97.55 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.212 0.529 . . . . 1.61 110.068 172.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 p -123.06 89.76 50.63 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.797 -0.638 . . . . 1.89 109.484 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.24 145.93 25.35 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.4 2.734 . . . . 1.18 113.051 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.78 HD12 ' HD2' ' A' ' 52' ' ' LYS . 2.2 mm? -67.96 -19.33 64.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.392 -0.822 . . . . 2.69 111.272 -176.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.0 mttp . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.711 -0.661 . . . . 4.1 109.677 175.864 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.499 ' H ' ' HD2' ' A' ' 30' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.684 -0.487 . . . . 5.55 109.684 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 49.3 Cg_exo -56.3 -35.98 96.46 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.818 3.012 . . . . 2.27 113.701 -170.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 44' ' ' PRO . 91.1 m-85 -128.51 126.02 39.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.764 -0.458 . . . . 2.13 109.764 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.538 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 49.9 m -136.3 126.64 26.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.179 0.514 . . . . 1.77 111.413 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.8 t -80.69 82.51 6.68 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.742 -0.836 . . . . 1.01 108.742 173.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -55.35 -23.34 23.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 5.57 111.944 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.6 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 2.2 mm-40 -59.31 -38.13 79.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.457 -0.338 . . . . 2.64 110.896 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.6 p -127.85 1.42 6.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.104 0.478 . . . . 0.89 111.383 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.4 t 71.2 25.24 3.64 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.287 -0.87 . . . . 1.96 111.891 176.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -100.87 120.78 40.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.687 0.28 . . . . 3.36 110.57 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -95.84 158.99 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.914 0.387 . . . . 1.15 111.681 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -139.78 156.59 46.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.83 -0.623 . . . . 1.14 110.545 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.1 m -104.64 -4.42 22.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.902 -0.59 . . . . 2.11 109.879 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.412 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 14.4 m-20 -117.38 122.6 30.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.713 -0.676 . . . . 1.54 110.015 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 19.6 Cg_endo -60.22 -33.76 94.52 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.29 2.66 . . . . 0.88 113.335 -177.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.01 -25.83 24.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 1.12 110.208 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -67.51 -39.04 85.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.141 -0.689 . . . . 1.13 109.141 174.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 39.9 t -68.18 -37.1 80.6 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.153 -0.931 . . . . 1.28 109.892 173.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -65.96 -39.05 90.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.183 0.516 . . . . 2.8 110.587 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 53' ' ' THR . . . -69.62 -41.05 76.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.767 -0.651 . . . . 1.1 109.602 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -64.51 -43.27 94.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.801 -1.091 . . . . 1.12 111.07 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 44.1 mt-10 -58.26 -39.42 79.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.346 0.593 . . . . 3.27 110.301 176.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' HB3' HD21 ' A' ' 57' ' ' LEU . 32.3 mmmt -83.24 9.91 9.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.691 -0.686 . . . . 3.43 112.534 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 49' ' ' ALA . 69.8 p -96.72 -24.51 15.92 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.689 -0.856 . . . . 1.22 108.689 166.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.6 ' CE1' ' HB2' ' A' ' 36' ' ' GLU . 11.0 m-70 -74.09 -36.91 64.3 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 108.816 -0.809 . . . . 1.61 108.816 169.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.0 t -107.33 86.35 2.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 114.992 -1.003 . . . . 1.89 109.0 172.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 54' ' ' HIS . 73.2 Cg_exo -51.82 138.2 51.13 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.304 2.669 . . . . 1.18 113.222 -173.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' ' 52' ' ' LYS . 28.4 mt -65.85 -33.28 75.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.054 -0.975 . . . . 2.69 110.822 -178.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.506 ' HZ2' ' HB3' ' A' ' 58' ' ' LYS . 8.0 mtpm? . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.629 -0.7 . . . . 4.1 109.978 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 1.025 ' HG3' ' HA ' ' A' ' 42' ' ' SER . 73.9 mmtt . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 110.021 -0.363 . . . . 5.55 110.021 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.83 19.35 1.14 Allowed 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 123.0 2.467 . . . . 2.27 113.132 -177.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -103.67 106.02 16.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.74 -0.467 . . . . 2.13 109.74 -178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.3 m -124.66 131.7 53.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.388 0.613 . . . . 1.77 111.375 -175.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.436 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 1.9 t -94.57 82.02 3.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.183 -0.917 . . . . 1.01 108.875 178.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -46.3 -43.05 15.47 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.939 0.718 . . . . 5.57 112.939 -173.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.506 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 12.6 mm-40 -61.97 -30.52 70.98 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.4 0.519 . . . . 2.64 112.4 -173.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 14.6 p -124.28 6.11 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.285 -0.566 . . . . 0.89 111.231 -174.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.5 p 54.66 33.01 18.38 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.825 1.25 . . . . 1.96 113.596 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 5.8 tmtt? -101.34 157.52 16.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.475 -0.565 . . . . 3.36 109.475 174.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.18 149.53 46.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.679 0.276 . . . . 1.15 110.743 176.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' A' ' 34' ' ' CYS . 59.1 m-85 -113.76 137.42 51.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.362 -0.381 . . . . 1.14 110.976 -175.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 1.025 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 19.1 p -90.21 -7.89 52.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.906 -0.588 . . . . 2.11 110.722 176.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 30.7 m-20 -123.94 133.86 24.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.036 -0.529 . . . . 1.54 110.612 -178.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 21.1 Cg_exo -66.07 -28.98 48.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.244 2.629 . . . . 0.88 112.745 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.04 -24.46 26.36 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.027 0.441 . . . . 1.12 109.93 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.98 -38.87 92.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.736 -0.665 . . . . 1.13 109.754 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 47.3 t -67.08 -40.3 86.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.701 -0.682 . . . . 1.28 109.673 173.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 84.0 tttt -63.41 -49.85 72.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.533 -0.758 . . . . 2.8 110.701 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.66 -33.69 76.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.45 -0.796 . . . . 1.1 110.425 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -78.24 -28.33 47.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.658 -0.701 . . . . 1.12 110.752 -177.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 37.6 mt-10 -56.41 -35.81 68.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.749 0.785 . . . . 3.27 109.195 169.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 62.1 mmtt -82.59 -7.47 59.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.773 -1.103 . . . . 3.43 111.591 -177.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.2 p -99.65 -32.74 10.92 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.756 -0.378 . . . . 1.22 111.1 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.506 ' CE1' ' HB2' ' A' ' 36' ' ' GLU . 3.0 m-70 -72.08 -35.81 69.35 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.28 0.562 . . . . 1.61 109.559 173.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.3 t -119.43 88.41 38.25 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.307 -0.997 . . . . 1.89 108.307 170.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 18.0 Cg_exo -66.97 140.08 53.49 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 123.224 2.616 . . . . 1.18 113.846 -170.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -110.49 -41.83 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.181 -0.918 . . . . 2.69 108.795 172.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp . . . . . 0 C--O 1.245 0.824 0 CA-C-N 115.004 -0.998 . . . . 4.1 109.845 175.124 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' HB2' ' OG ' ' A' ' 33' ' ' SER . 61.7 mttp . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 109.458 -0.571 . . . . 5.55 109.458 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.46 ' HG2' ' HA ' ' A' ' 42' ' ' SER . 18.3 Cg_endo -58.58 -41.26 66.22 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.6 2.866 . . . . 2.27 113.406 -170.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 95.6 m-85 -119.14 72.52 0.9 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.473 0.654 . . . . 2.13 110.714 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.4 ' OG ' ' HB2' ' A' ' 30' ' ' LYS . 62.2 m -84.63 100.83 11.69 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.047 -0.979 . . . . 1.77 110.174 177.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 36' ' ' GLU . 47.5 t -97.22 108.1 20.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.055 -0.52 . . . . 1.01 110.453 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 35' ' ' ARG . 39.1 mtm180 -79.25 -14.04 59.29 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.882 -0.327 . . . . 5.57 111.13 -179.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.458 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 9.3 tp10 -61.32 -43.59 98.62 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.216 0.531 . . . . 2.64 110.885 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 25.4 p -113.59 0.19 14.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.833 -0.621 . . . . 0.89 110.088 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 m 68.2 11.25 8.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.233 -0.894 . . . . 1.96 111.749 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 62.2 mttp -102.75 142.43 33.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.356 -0.383 . . . . 3.36 110.646 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.22 128.42 52.41 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.213 -0.449 . . . . 1.15 110.445 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.538 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 79.4 m-85 -113.31 154.04 27.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.34 -0.391 . . . . 1.14 110.468 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.46 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -111.09 -5.25 14.81 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.942 -0.572 . . . . 2.11 109.662 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.454 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 7.7 m-20 -106.02 120.24 49.59 Favored Pre-proline 0 C--O 1.234 0.265 0 CA-C-N 115.751 -0.659 . . . . 1.54 109.503 178.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 52.6 Cg_exo -55.99 -34.89 93.5 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.663 2.909 . . . . 0.88 113.582 -174.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.2 -23.8 21.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.874 0.369 . . . . 1.12 110.902 -176.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -71.98 -40.86 68.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.713 -0.477 . . . . 1.13 109.713 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.538 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 51.9 t -69.61 -34.21 73.76 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.784 -0.644 . . . . 1.28 109.6 173.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.659 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 47.9 tttp -64.92 -50.3 67.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.962 -0.563 . . . . 2.8 109.966 -177.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.418 ' O ' HG22 ' A' ' 53' ' ' THR . . . -62.04 -42.6 99.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.347 0.594 . . . . 1.1 110.252 -178.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -62.77 -48.08 80.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.073 -0.967 . . . . 1.12 111.278 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 56.7 mm-40 -67.54 -32.37 73.1 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.924 0.392 . . . . 3.27 111.381 -177.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.659 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 32.6 mmmt -55.97 -37.23 68.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.057 -0.52 . . . . 3.43 110.796 172.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 49' ' ' ALA . 28.9 p -78.02 -24.63 47.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.602 -0.272 . . . . 1.22 111.463 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.414 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -58.82 -43.02 90.53 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.171 0.51 . . . . 1.61 110.396 176.158 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 t -113.44 78.07 3.4 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 107.786 -1.19 . . . . 1.89 107.786 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.94 119.45 6.62 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.775 2.317 . . . . 1.18 112.714 -168.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.93 -42.48 19.42 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.333 -0.988 . . . . 2.69 108.333 174.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.783 ' HZ1' ' HB3' ' A' ' 58' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.244 0.788 0 CA-C-N 114.952 -1.022 . . . . 4.1 109.944 173.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.3 pttm . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.91 0.386 . . . . 5.55 110.772 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.85 -27.35 5.99 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.658 2.239 . . . . 2.27 112.336 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -136.82 148.43 47.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.488 -0.56 . . . . 2.13 109.488 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.543 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 10.4 t -148.45 154.5 39.96 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.238 0.542 . . . . 1.77 110.655 -178.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.7 t -104.8 103.55 13.18 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.96 -0.756 . . . . 1.01 108.96 176.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -59.72 -44.46 93.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.571 -0.74 . . . . 5.57 111.387 -172.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.31 -37.37 85.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.275 -0.875 . . . . 2.64 113.279 -172.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.4 p -115.32 -3.08 12.5 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.574 -0.85 . . . . 0.89 111.852 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t 72.41 21.12 3.81 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.585 0.754 . . . . 1.96 112.509 172.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -101.41 137.95 39.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.119 -0.363 . . . . 3.36 110.029 175.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.543 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -108.03 159.39 16.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.991 0.424 . . . . 1.15 111.867 -176.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.61 147.84 45.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.681 -0.69 . . . . 1.14 110.604 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.8 p -96.35 -8.48 32.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.982 -0.554 . . . . 2.11 110.698 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 9.7 m-20 -113.53 128.72 25.38 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 1.54 110.52 -177.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 24.5 Cg_exo -63.13 -35.12 66.41 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.464 2.776 . . . . 0.88 113.162 -176.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.84 -21.47 23.69 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.935 0.398 . . . . 1.12 110.104 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.12 -39.05 79.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.259 -0.645 . . . . 1.13 109.259 173.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 45.1 t -68.43 -38.88 81.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.526 -0.761 . . . . 1.28 109.763 174.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -64.12 -43.4 95.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.043 0.449 . . . . 2.8 110.465 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 52' ' ' LYS . . . -69.09 -32.18 71.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.517 0.675 . . . . 1.1 110.208 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -69.7 -39.39 76.94 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.061 -0.972 . . . . 1.12 110.264 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 46.0 mt-10 -64.79 -24.62 67.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.543 0.687 . . . . 3.27 110.313 176.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 29.4 mmtp -72.85 -21.32 60.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.188 -0.914 . . . . 3.43 111.176 175.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.6 p -87.7 -29.14 21.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.369 -0.532 . . . . 1.22 111.335 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -75.51 -17.99 59.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.333 0.587 . . . . 1.61 109.95 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 m -118.61 76.19 13.28 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.631 -0.878 . . . . 1.89 108.631 169.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.8 119.65 6.99 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 122.682 2.255 . . . . 1.18 112.716 -171.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.441 ' HB2' ' HD2' ' A' ' 58' ' ' LYS . 1.9 mm? -88.65 -34.48 17.23 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.226 -0.657 . . . . 2.69 109.226 176.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.486 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.244 0.799 0 CA-C-O 118.208 -0.901 . . . . 4.1 109.717 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' HD3' ' CB ' ' A' ' 40' ' ' ALA . 60.4 mttp . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.55 -0.537 . . . . 5.55 109.55 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.578 ' HG2' ' HA ' ' A' ' 42' ' ' SER . 57.5 Cg_exo -52.74 -43.12 58.32 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.817 3.011 . . . . 2.27 113.014 -175.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -130.8 129.87 42.96 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.931 -0.766 . . . . 2.13 108.931 174.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.7 m -126.45 98.83 5.58 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.227 -0.442 . . . . 1.77 110.477 -177.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.4 t -77.2 89.05 3.66 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.643 -0.873 . . . . 1.01 108.643 174.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -74.59 -6.46 48.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.204 -0.453 . . . . 5.57 110.582 -175.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.39 -47.35 76.64 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.841 -0.618 . . . . 2.64 110.495 173.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 21.7 p -107.6 -2.8 19.92 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.33 0.586 . . . . 0.89 110.185 177.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 t 68.51 19.23 8.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.626 -1.17 . . . . 1.96 111.008 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.525 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 64.3 mttp -101.34 121.03 41.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.913 -0.403 . . . . 3.36 109.913 176.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' CB ' ' HD3' ' A' ' 30' ' ' LYS . . . -105.51 149.6 26.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.138 -0.483 . . . . 1.15 110.597 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.578 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 96.1 m-85 -137.94 148.13 44.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 1.14 110.636 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.578 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 39.1 p -88.11 -15.0 37.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.641 -0.709 . . . . 2.11 110.956 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 45.1 m-20 -107.63 118.68 52.63 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.398 -0.365 . . . . 1.54 110.025 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 31.4 Cg_exo -59.9 -28.65 87.65 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 123.547 2.831 . . . . 0.88 113.718 -176.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.64 -22.53 21.15 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.524 -0.47 . . . . 1.12 110.585 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' CB ' ' HB2' ' A' ' 43' ' ' ASP . . . -69.36 -43.44 73.6 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.045 -0.525 . . . . 1.13 109.629 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.578 ' HB3' ' HB2' ' A' ' 41' ' ' PHE . 7.4 p -71.26 -29.13 64.71 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.754 -0.657 . . . . 1.28 110.143 175.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 1.5 tmtp? -66.31 -43.43 86.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.899 -0.592 . . . . 2.8 109.621 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.81 -34.45 77.83 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.475 0.655 . . . . 1.1 110.047 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -68.35 -42.0 79.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.282 -0.872 . . . . 1.12 110.998 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 28.7 mm-40 -67.05 -24.86 66.03 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.475 0.655 . . . . 3.27 110.386 178.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 33.9 mtpt -71.56 -14.81 62.2 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.426 -0.806 . . . . 3.43 111.37 172.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.5 p -87.08 -20.9 26.45 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 119.827 -0.749 . . . . 1.22 109.655 173.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 31.3 m-70 -62.05 -34.26 75.92 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 109.185 -0.672 . . . . 1.61 109.185 169.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.8 p -115.85 79.72 8.17 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.401 -0.818 . . . . 1.89 109.691 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -45.69 131.91 13.11 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 124.224 3.282 . . . . 1.18 113.951 -170.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 mp -75.73 -41.59 52.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.382 -0.826 . . . . 2.69 109.344 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.379 -0.819 . . . . 4.1 109.774 171.695 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.454 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 57.9 mttp . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 109.961 -0.385 . . . . 5.55 109.961 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 12.2 Cg_exo -70.89 -16.52 32.8 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.215 2.61 . . . . 2.27 113.288 -173.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -117.47 81.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.277 0.561 . . . . 2.13 110.82 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.1 t -100.95 99.07 9.48 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.523 -0.762 . . . . 1.77 109.964 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 43.2 t -78.65 107.65 11.49 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.214 -0.661 . . . . 1.01 109.214 176.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -71.72 -32.08 67.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.554 -0.294 . . . . 5.57 111.017 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -57.54 -50.19 73.9 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.948 -0.569 . . . . 2.64 112.002 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.7 p -101.84 -4.18 26.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.361 0.6 . . . . 0.89 110.044 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.1 m 67.53 15.46 9.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.755 -1.112 . . . . 1.96 111.963 177.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -100.8 119.71 39.05 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.82 -0.437 . . . . 3.36 109.82 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.95 146.53 25.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.363 -0.38 . . . . 1.15 110.416 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.538 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 61.2 m-85 -128.14 155.2 44.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.249 -0.432 . . . . 1.14 110.51 177.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 p -106.38 -4.56 19.82 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.833 -0.621 . . . . 2.11 110.234 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.45 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 39.9 m-20 -106.6 116.61 58.68 Favored Pre-proline 0 N--CA 1.451 -0.407 0 N-CA-C 109.272 -0.64 . . . . 1.54 109.272 177.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.85 -34.21 90.77 Favored 'Trans proline' 0 CA--C 1.52 -0.177 0 C-N-CA 123.578 2.852 . . . . 0.88 113.682 -174.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.501 ' HA ' ' HB3' ' A' ' 48' ' ' LYS . . . -90.36 -21.74 21.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 1.12 110.765 -176.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -70.53 -42.72 70.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.324 0.583 . . . . 1.13 109.513 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.538 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 42.5 t -68.83 -34.64 75.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.45 -0.796 . . . . 1.28 109.558 173.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.501 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 1.8 tmtp? -66.91 -45.12 78.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.951 -0.568 . . . . 2.8 110.588 -177.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.68 -43.32 84.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.26 0.552 . . . . 1.1 110.189 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -62.05 -43.18 99.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.125 -0.943 . . . . 1.12 111.507 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 49.8 mm-40 -68.96 -28.92 67.06 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.239 0.542 . . . . 3.27 111.408 -178.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.538 ' HE2' HD13 ' A' ' 57' ' ' LEU . 58.0 mtpt -70.23 -14.73 62.75 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.781 -0.645 . . . . 3.43 111.555 174.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.6 p -90.64 -19.73 23.32 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.384 -0.526 . . . . 1.22 110.33 172.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.509 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 8.9 m-70 -60.69 -40.98 94.19 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.213 0.53 . . . . 1.61 109.786 170.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -102.59 90.32 2.16 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.289 -0.868 . . . . 1.89 109.052 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -50.63 118.94 4.54 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.177 2.585 . . . . 1.18 112.758 -170.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.538 HD13 ' HE2' ' A' ' 52' ' ' LYS . 85.4 mt -76.57 -40.25 50.22 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.037 -0.983 . . . . 2.69 110.84 -178.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.465 ' HZ2' ' HB2' ' A' ' 58' ' ' LYS . 9.6 mtmp? . . . . . 0 C--O 1.25 1.128 0 CA-C-N 114.945 -1.025 . . . . 4.1 110.37 176.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.8 mttt . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.915 0.388 . . . . 5.55 109.978 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -61.51 -43.01 29.63 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.165 2.577 . . . . 2.27 112.906 -174.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -105.41 110.13 22.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.364 -0.606 . . . . 2.13 109.364 -176.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -131.26 118.84 20.95 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.972 0.415 . . . . 1.77 111.059 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.523 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 0.5 OUTLIER -77.49 85.09 3.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.269 -1.012 . . . . 1.01 108.269 172.672 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -49.85 -45.89 50.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.964 -1.017 . . . . 5.57 113.473 -170.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.805 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 1.4 pm0 -71.28 -18.22 62.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.767 0.655 . . . . 2.64 112.767 -172.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.805 ' SG ' ' HG2' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -137.77 23.82 2.87 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.128 0.418 . . . . 0.89 112.128 -174.844 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 p 48.54 28.06 1.64 Allowed 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.439 1.274 . . . . 1.96 114.439 170.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 37' ' ' CYS . 42.4 mmtm -102.69 103.18 13.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.037 -0.414 . . . . 3.36 111.26 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.05 152.24 18.5 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.993 -0.283 . . . . 1.15 110.612 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -135.04 157.0 48.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.126 -0.488 . . . . 1.14 110.625 -178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.6 t -108.12 -10.73 15.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.612 -0.722 . . . . 2.11 109.188 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.413 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 12.9 m-20 -102.77 118.95 57.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.436 -0.802 . . . . 1.54 109.893 178.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.97 -32.86 94.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 123.035 2.49 . . . . 0.88 112.801 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.18 -23.48 30.55 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.209 0.528 . . . . 1.12 110.329 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' ' 43' ' ' ASP . . . -69.37 -43.4 73.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.7 -0.682 . . . . 1.13 109.561 175.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.0 t -72.12 -24.28 61.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.678 -0.692 . . . . 1.28 109.627 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -69.73 -47.78 61.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.054 -0.521 . . . . 2.8 110.005 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.86 -39.57 79.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.753 -0.658 . . . . 1.1 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.523 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 17.2 t60 -65.4 -33.08 75.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.767 -0.651 . . . . 1.12 110.282 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -66.95 -32.27 73.4 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.011 0.434 . . . . 3.27 110.204 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HD2' HD13 ' A' ' 57' ' ' LEU . 74.5 mmtt -71.15 -25.4 62.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.021 -0.536 . . . . 3.43 110.932 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.2 p -84.2 -8.6 59.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.962 0.41 . . . . 1.22 111.144 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -102.36 8.7 40.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.552 0.691 . . . . 1.61 109.575 170.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.1 m -149.83 69.12 9.19 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.145 -0.934 . . . . 1.89 108.676 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -53.75 119.48 6.32 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.28 2.654 . . . . 1.18 113.297 -171.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.461 HD13 ' HD2' ' A' ' 52' ' ' LYS . 5.9 mp -72.2 -41.58 66.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.379 -0.828 . . . . 2.69 109.431 177.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.248 0.982 0 CA-C-N 115.389 -0.823 . . . . 4.1 109.413 174.219 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 mttp . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 110.164 -0.31 . . . . 5.55 110.164 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 61.2 Cg_endo -74.02 -21.55 18.14 Favored 'Trans proline' 0 N--CA 1.466 -0.117 0 C-N-CA 122.471 2.114 . . . . 2.27 112.223 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.44 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 77.0 m-85 53.87 63.47 2.18 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.746 0.784 . . . . 2.13 110.592 -178.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -76.02 99.84 4.72 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.442 -1.253 . . . . 1.77 110.831 -178.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.5 t -72.38 124.31 24.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.78 -0.645 . . . . 1.01 110.38 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 35' ' ' ARG . 1.7 ptm180 -77.01 -20.43 56.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.355 -0.384 . . . . 5.57 111.902 -176.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' HG2' ' CD2' ' A' ' 54' ' ' HIS . 8.9 tp10 -73.94 -50.45 19.99 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 120.62 0.248 . . . . 2.64 111.342 -175.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 39' ' ' LYS . 28.3 p -104.34 -1.98 26.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.09 0.472 . . . . 0.89 110.593 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.5 m 66.08 11.72 7.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.037 -0.983 . . . . 1.96 111.179 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.431 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 56.2 tptt -101.08 131.97 46.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 3.36 110.374 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 31' ' ' PRO . . . -101.92 145.65 28.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.555 -0.293 . . . . 1.15 110.4 176.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.545 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 56.1 m-85 -128.99 122.39 29.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.373 -0.376 . . . . 1.14 110.575 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 p -78.5 11.8 2.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.13 -0.486 . . . . 2.11 111.485 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.503 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 26.9 m-20 -125.98 112.02 24.42 Favored Pre-proline 0 N--CA 1.453 -0.307 0 N-CA-C 109.233 -0.655 . . . . 1.54 109.233 176.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.37 -29.01 82.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.981 2.454 . . . . 0.88 113.386 -175.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.29 -25.53 20.48 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.812 -0.355 . . . . 1.12 110.693 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -71.42 -41.48 69.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.335 -0.617 . . . . 1.13 109.335 176.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.545 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 36.3 t -66.13 -33.27 75.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.111 -0.949 . . . . 1.28 109.166 174.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HB3' ' HE2' ' A' ' 48' ' ' LYS . 35.2 ttpt -63.64 -48.76 75.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 2.8 110.407 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.429 ' O ' HG21 ' A' ' 53' ' ' THR . . . -65.59 -41.28 92.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.454 0.645 . . . . 1.1 110.433 -178.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -64.97 -45.42 85.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.233 -0.894 . . . . 1.12 111.152 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -66.1 -32.73 74.36 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.107 0.479 . . . . 3.27 111.19 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HB3' HD12 ' A' ' 57' ' ' LEU . 31.3 mmtp -66.13 -16.26 63.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.99 -0.55 . . . . 3.43 111.752 175.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.429 HG21 ' O ' ' A' ' 49' ' ' ALA . 35.2 p -92.19 -20.39 21.25 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.285 -0.566 . . . . 1.22 110.799 176.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.488 ' CD2' ' HG2' ' A' ' 36' ' ' GLU . 2.1 m-70 -62.61 -41.76 99.18 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.357 0.599 . . . . 1.61 109.572 171.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -112.36 91.26 16.04 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 114.96 -1.018 . . . . 1.89 108.654 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -34.4 120.71 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 124.698 3.599 . . . . 1.18 114.508 -171.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 52' ' ' LYS . 3.6 tp -74.49 -40.6 61.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.706 0.765 . . . . 2.69 109.732 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? . . . . . 0 C--O 1.251 1.157 0 CA-C-N 114.815 -1.084 . . . . 4.1 109.687 175.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 110.054 -0.35 . . . . 5.55 110.054 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.88 -22.8 48.32 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.895 2.396 . . . . 2.27 112.617 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -125.04 140.03 53.27 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.732 -0.47 . . . . 2.13 109.732 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.9 m -146.07 128.48 15.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.122 0.487 . . . . 1.77 110.877 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.1 t -74.98 104.02 5.41 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.736 -0.839 . . . . 1.01 108.736 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 35' ' ' ARG . 41.0 mtp180 -62.43 -40.56 96.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.298 -0.41 . . . . 5.57 112.085 -171.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 2.0 pm0 -64.04 -50.23 69.24 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.605 0.594 . . . . 2.64 112.605 -175.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.9 p -104.96 -6.29 20.23 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 119.973 -0.691 . . . . 0.89 111.368 -173.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m 69.42 31.49 3.79 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.159 -0.928 . . . . 1.96 112.421 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -100.13 135.14 42.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.113 -0.699 . . . . 3.36 109.113 173.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.09 154.78 30.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.209 0.528 . . . . 1.15 112.184 -173.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -142.82 158.52 43.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.345 -0.843 . . . . 1.14 109.588 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.0 m -109.89 -5.06 15.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.133 0.492 . . . . 2.11 110.361 175.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.05 120.53 51.99 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 1.54 110.534 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.91 -26.25 82.8 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 123.413 2.742 . . . . 0.88 112.969 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.0 -26.71 22.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.258 0.551 . . . . 1.12 110.264 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.89 -40.88 78.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.718 -0.674 . . . . 1.13 109.349 175.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -73.05 -22.81 60.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.597 -0.728 . . . . 1.28 109.83 175.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 31.7 tttp -70.11 -45.79 66.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.599 -0.728 . . . . 2.8 109.526 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.32 69.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.75 -0.659 . . . . 1.1 110.107 176.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -65.8 -36.2 82.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.334 -0.848 . . . . 1.12 110.132 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' HB3' ' O ' ' A' ' 48' ' ' LYS . 6.3 tp10 -60.55 -33.77 73.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.679 -0.692 . . . . 3.27 110.189 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 99.7 mttt -75.63 -15.0 60.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.439 -0.801 . . . . 3.43 111.701 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.5 p -92.78 -29.01 16.22 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.813 -0.355 . . . . 1.22 111.253 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -84.32 -28.18 27.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.106 0.479 . . . . 1.61 109.817 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.7 t -120.53 78.93 29.17 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 108.205 -1.035 . . . . 1.89 108.205 169.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.496 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 26.9 Cg_exo -61.48 119.32 6.4 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.864 2.376 . . . . 1.18 112.999 -171.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.77 -12.18 58.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.51 0.671 . . . . 2.69 109.331 173.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.331 -0.849 . . . . 4.1 109.764 178.588 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 74.1 mmtt . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 109.958 -0.386 . . . . 5.55 109.958 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -70.09 -25.16 27.38 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.473 2.115 . . . . 2.27 112.554 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -108.61 81.0 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.363 -0.606 . . . . 2.13 109.363 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 p -105.11 117.2 33.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.947 -0.57 . . . . 1.77 111.458 -175.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.412 ' SG ' ' HG2' ' A' ' 36' ' ' GLU . 28.8 t -80.06 85.72 5.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.669 -0.863 . . . . 1.01 108.669 175.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.479 ' NE ' ' HA ' ' A' ' 35' ' ' ARG . 2.6 tpm_? -58.08 -29.66 65.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.454 -0.794 . . . . 5.57 111.871 -173.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.412 ' HG2' ' SG ' ' A' ' 34' ' ' CYS . 1.6 pm0 -68.43 -32.69 72.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.022 0.749 . . . . 2.64 113.022 -175.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.5 p -119.56 -0.4 10.84 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 119.86 -0.736 . . . . 0.89 111.853 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.1 t 78.69 7.08 2.27 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.547 -0.751 . . . . 1.96 112.711 172.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -97.75 134.68 40.59 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.89 -0.506 . . . . 3.36 110.644 176.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' HB3' ' HB3' ' A' ' 30' ' ' LYS . . . -125.9 151.5 46.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.406 -0.361 . . . . 1.15 111.399 -178.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -131.73 166.08 22.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.076 -0.511 . . . . 1.14 110.071 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t -110.17 -1.23 17.52 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.081 -0.711 . . . . 2.11 109.081 174.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.482 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 7.5 m-20 -99.53 115.53 65.58 Favored Pre-proline 0 N--CA 1.451 -0.421 0 CA-C-N 115.705 -0.68 . . . . 1.54 109.326 178.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.0 -29.78 90.09 Favored 'Trans proline' 0 N--CA 1.466 -0.11 0 C-N-CA 122.933 2.422 . . . . 0.88 112.856 -177.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.39 -25.65 20.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.954 0.406 . . . . 1.12 110.413 -177.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -70.72 -37.22 73.51 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.068 -0.716 . . . . 1.13 109.068 176.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.96 -26.46 59.61 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.02 -0.991 . . . . 1.28 109.828 174.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -70.23 -40.69 74.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.127 0.489 . . . . 2.8 110.019 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.44 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . . . -70.81 -28.26 64.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.643 0.735 . . . . 1.1 110.039 175.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -75.9 -29.52 58.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.887 -1.051 . . . . 1.12 110.151 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -70.81 -42.96 69.58 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.496 -0.774 . . . . 3.27 110.336 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' HB2' HD23 ' A' ' 57' ' ' LEU . 19.2 ptpt -76.44 -5.01 45.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.172 -0.467 . . . . 3.43 111.297 -177.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.42 HG22 ' O ' ' A' ' 49' ' ' ALA . 40.5 p -94.02 -21.33 19.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.207 -0.308 . . . . 1.22 110.75 173.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -86.02 -40.79 15.43 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.178 0.513 . . . . 1.61 109.782 169.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.8 m -106.94 84.75 1.65 Allowed Pre-proline 0 N--CA 1.448 -0.553 0 CA-C-N 115.491 -0.777 . . . . 1.89 109.141 171.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.06 155.75 69.42 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.582 2.188 . . . . 1.18 112.541 -173.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.46 HD23 ' HB2' ' A' ' 52' ' ' LYS . 2.8 mm? -93.13 1.85 56.97 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.382 -0.826 . . . . 2.69 109.253 177.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm . . . . . 0 C--O 1.248 0.991 0 CA-C-N 115.202 -0.908 . . . . 4.1 109.134 175.173 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.47 ' H ' ' HD3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.087 0.47 . . . . 5.55 110.183 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.5 ' HD2' ' HA ' ' A' ' 42' ' ' SER . 55.2 Cg_endo -69.72 -27.93 26.05 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.628 2.219 . . . . 2.27 113.251 -174.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -127.9 102.31 6.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.889 0.376 . . . . 2.13 111.22 -176.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.9 m -105.38 117.14 33.26 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.96 -0.564 . . . . 1.77 110.193 175.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.3 t -76.79 92.48 3.59 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.458 -0.571 . . . . 1.01 109.458 176.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -62.81 -20.36 64.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 5.57 110.937 -175.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -63.15 -34.95 78.72 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.811 -0.631 . . . . 2.64 111.466 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.3 p -134.11 5.86 3.59 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.757 -0.377 . . . . 0.89 111.798 -176.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 t 74.65 0.89 3.68 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.56 0.744 . . . . 1.96 112.139 174.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.618 ' HZ1' ' HB2' ' A' ' 39' ' ' LYS . 4.7 ttmp? -90.24 127.52 36.16 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.003 -0.436 . . . . 3.36 110.623 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.38 160.3 16.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.854 0.359 . . . . 1.15 111.353 -178.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -141.69 154.47 45.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 1.14 110.7 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.5 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 10.0 t -97.24 -11.63 23.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.7 -0.682 . . . . 2.11 109.55 176.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -97.62 118.74 63.85 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.886 -0.597 . . . . 1.54 110.421 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 34.7 Cg_exo -60.59 -29.29 88.19 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 123.163 2.575 . . . . 0.88 113.102 -178.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.12 -22.55 22.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.126 0.489 . . . . 1.12 110.184 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.17 -41.05 70.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.862 -0.608 . . . . 1.13 109.845 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.94 -23.04 58.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.316 0.579 . . . . 1.28 109.697 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 79.9 tttt -71.68 -47.43 54.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.409 -0.814 . . . . 2.8 109.706 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.23 -24.57 61.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.514 0.673 . . . . 1.1 109.857 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.429 ' HE1' ' HD2' ' A' ' 39' ' ' LYS . 30.2 t60 -63.89 -36.5 84.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.976 -1.011 . . . . 1.12 110.241 176.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -68.05 -38.77 82.84 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.082 0.468 . . . . 3.27 109.884 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 46.5 mttp -62.5 -24.84 67.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.798 -0.637 . . . . 3.43 111.504 177.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.4 p -88.14 -14.75 37.92 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.737 -0.385 . . . . 1.22 111.855 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -83.37 -39.75 20.29 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.735 -0.469 . . . . 1.61 109.735 172.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -118.25 82.22 18.1 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.423 -0.954 . . . . 1.89 108.423 173.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 24.0 Cg_exo -62.97 124.88 14.77 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.273 2.649 . . . . 1.18 113.449 -169.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.422 HD11 ' HG2' ' A' ' 52' ' ' LYS . 6.2 mp -89.84 -41.19 11.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.917 -0.583 . . . . 2.69 109.88 177.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt . . . . . 0 C--O 1.252 1.191 0 CA-C-N 115.557 -0.747 . . . . 4.1 109.496 177.008 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 109.514 -0.55 . . . . 1.69 109.514 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.571 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 20.5 t -128.91 130.58 46.99 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.806 0.336 . . . . 1.39 110.507 -179.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 43.2 t -73.9 108.05 6.49 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.53 -0.545 . . . . 0.93 109.53 174.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -66.12 -33.28 75.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.956 -0.565 . . . . 4.92 111.102 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -53.88 30.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.35 0.595 . . . . 2.64 111.498 -174.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.57 12.8 15.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.349 -0.841 . . . . 0.89 111.992 -172.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.5 p 56.86 31.82 20.32 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 114.597 -1.183 . . . . 1.35 113.604 173.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -101.56 107.91 19.32 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.931 -0.396 . . . . 2.95 109.931 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.571 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -92.8 156.83 16.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.904 0.383 . . . . 0.46 111.631 -177.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -136.26 159.61 41.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.805 -0.634 . . . . 0.96 111.006 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.6 m -107.69 -8.92 15.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.172 -0.922 . . . . 1.65 109.596 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.615 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 7.1 t70 -100.76 125.38 38.89 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.461 -0.79 . . . . 1.54 109.61 176.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.02 -21.38 56.56 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.608 2.205 . . . . 0.52 112.171 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.1 -33.54 14.72 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.641 0.257 . . . . 0.35 110.347 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.615 ' CB ' ' HB3' ' A' ' 43' ' ' ASP . . . -59.67 -43.73 93.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.193 0.52 . . . . 0.31 109.768 175.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.4 t -69.9 -28.6 65.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.472 -0.785 . . . . 1.02 110.385 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 16.8 tppt? -71.31 -41.34 70.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.422 -0.354 . . . . 2.37 110.21 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.09 68.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.462 0.648 . . . . 0.31 110.063 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -73.73 -30.37 62.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.043 -0.98 . . . . 0.81 110.238 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.23 -41.03 99.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 115.457 -0.792 . . . . 3.27 110.123 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 71.9 mmtt -77.31 -9.15 58.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.198 -0.91 . . . . 2.9 111.595 -174.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.9 p -96.55 -20.63 18.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.891 0.377 . . . . 0.58 111.093 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -86.94 -19.38 28.87 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.302 0.572 . . . . 1.0 109.638 170.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.3 m -128.59 81.9 69.72 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.36 -0.836 . . . . 1.4 109.368 173.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo . . . . . 0 C--N 1.348 0.54 0 C-N-CA 123.583 2.855 . . . . 1.01 112.968 -174.73 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 40' ' ' ALA . 96.9 m-85 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 121.178 0.513 . . . . 1.69 110.62 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.4 m -97.55 101.9 13.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.741 -0.663 . . . . 1.39 110.78 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.2 t -86.28 99.71 11.76 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.299 -0.63 . . . . 0.93 109.299 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -65.85 -21.14 66.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.298 -0.41 . . . . 4.92 111.798 -174.344 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.449 ' N ' ' HD3' ' A' ' 35' ' ' ARG . 8.4 tp10 -67.05 -47.29 71.77 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 111.91 0.337 . . . . 2.64 111.91 -175.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -104.72 -1.72 25.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.959 0.409 . . . . 0.89 110.354 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.4 t 70.82 19.12 5.97 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.206 -0.906 . . . . 1.35 111.41 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -101.67 134.72 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 2.95 110.369 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 32' ' ' PHE . . . -120.44 115.84 24.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.226 -0.443 . . . . 0.46 110.303 177.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -104.16 149.96 24.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.11 0.481 . . . . 0.96 111.015 -175.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.3 m -99.62 -9.32 23.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.621 -0.718 . . . . 1.65 109.722 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.605 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 6.1 t70 -99.44 126.64 36.86 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.687 -0.688 . . . . 1.54 109.25 175.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.453 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 24.8 Cg_endo -62.41 -26.88 76.91 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.594 2.196 . . . . 0.52 112.092 177.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . . . -91.12 -29.01 17.53 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.43 -0.35 . . . . 0.35 110.312 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.605 ' CB ' ' HB3' ' A' ' 43' ' ' ASP . . . -63.37 -38.58 91.7 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.087 -0.708 . . . . 0.31 109.087 174.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.8 t -65.54 -44.88 85.49 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 114.972 -1.013 . . . . 1.02 109.59 173.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 44' ' ' PRO . 28.8 mmtp -65.64 -43.72 88.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.579 -0.282 . . . . 2.37 111.668 -175.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.96 -50.17 67.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.268 0.556 . . . . 0.31 110.336 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -64.6 -43.04 95.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.153 -0.931 . . . . 0.81 111.616 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 54' ' ' HIS . 46.7 mm-40 -67.17 -30.3 70.23 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.603 -0.685 . . . . 3.27 111.147 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 52' ' ' LYS . 53.4 mmtt -78.07 5.59 9.67 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.797 -0.638 . . . . 2.9 112.061 173.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.7 p -99.79 -23.1 15.09 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.471 -0.566 . . . . 0.58 109.471 166.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 51' ' ' GLU . 48.6 m-70 -61.93 -41.86 98.43 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.451 -0.944 . . . . 1.0 108.451 169.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 p -115.3 81.8 8.69 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 114.751 -1.113 . . . . 1.4 108.689 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo . . . . . 0 C--N 1.343 0.287 0 C-N-CA 122.921 2.414 . . . . 1.01 112.621 -171.794 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 40' ' ' ALA . 95.3 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 121.214 0.531 . . . . 1.69 110.177 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.5 m -84.38 99.93 10.96 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.404 -0.817 . . . . 1.39 110.761 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.599 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 0.5 OUTLIER -87.64 79.95 8.12 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.727 -0.842 . . . . 0.93 108.727 177.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -69.66 -25.79 64.08 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.376 -0.829 . . . . 4.92 113.168 -166.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -24.69 62.41 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.884 -0.726 . . . . 2.64 110.991 -177.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.467 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 28.4 p -114.95 2.38 14.25 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 119.901 -0.72 . . . . 0.89 110.809 174.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.0 m 65.8 27.88 11.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.028 -0.987 . . . . 1.35 112.081 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -101.6 163.28 12.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.658 0.266 . . . . 2.95 110.529 175.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 32' ' ' PHE . . . -142.52 134.61 27.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.823 0.345 . . . . 0.46 110.096 174.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -120.19 154.98 34.05 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.341 -0.391 . . . . 0.96 110.88 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 m -110.61 -10.1 14.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.366 0.603 . . . . 1.65 109.721 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 7.0 m-20 -101.93 120.59 53.52 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.438 -0.801 . . . . 1.54 109.913 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.16 -29.69 87.43 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 123.091 2.527 . . . . 0.52 113.026 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 48' ' ' LYS . . . -88.78 -23.63 22.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.119 0.485 . . . . 0.35 110.286 -178.021 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -69.46 -40.95 76.82 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.347 -0.612 . . . . 0.31 109.347 175.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 50.1 t -68.59 -33.47 74.12 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.411 -0.813 . . . . 1.02 109.537 173.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 86.5 tttt -63.04 -43.13 99.51 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.674 -0.694 . . . . 2.37 110.339 -178.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.89 -42.14 70.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.606 -0.725 . . . . 0.31 110.123 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.599 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 71.0 t60 -61.74 -41.01 97.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.141 -0.936 . . . . 0.81 110.486 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 39.1 mt-10 -55.89 -37.52 68.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.135 0.493 . . . . 3.27 110.907 175.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -78.97 -2.66 41.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.755 -0.657 . . . . 2.9 112.144 -176.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.5 p -94.51 -29.34 14.97 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.549 -0.461 . . . . 0.58 109.782 171.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.503 ' NE2' ' NE2' ' A' ' 50' ' ' HIS . 67.0 m-70 -76.28 -37.61 57.31 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 174.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 m -115.05 79.0 5.9 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.292 -0.867 . . . . 1.4 109.068 172.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 54' ' ' HIS . 25.5 Cg_exo . . . . . 0 C--N 1.347 0.487 0 C-N-CA 123.074 2.516 . . . . 1.01 112.536 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 91.4 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.157 0.503 . . . . 1.69 109.797 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.3 t -114.63 107.55 15.63 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.582 -0.735 . . . . 1.39 109.891 -177.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 36' ' ' GLU . 40.4 t -89.64 94.94 10.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.751 -0.659 . . . . 0.93 109.807 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -69.39 -9.1 52.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 4.92 111.238 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 11.3 tp10 -68.21 -42.22 80.15 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 116.391 -0.368 . . . . 2.64 110.584 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.545 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 25.9 p -117.91 -3.89 11.14 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 121.002 -0.279 . . . . 0.89 111.345 -178.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.5 m 72.78 19.61 3.87 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.319 0.648 . . . . 1.35 112.181 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -100.77 149.74 23.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.172 -0.307 . . . . 2.95 110.172 175.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.53 140.94 51.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.839 0.352 . . . . 0.46 110.686 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 55.0 m-85 -132.56 156.12 47.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.153 -0.476 . . . . 0.96 109.791 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.7 m -110.06 -0.42 18.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.113 0.483 . . . . 1.65 110.157 176.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.6 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 7.2 t70 -104.36 124.74 36.24 Favored Pre-proline 0 C--O 1.235 0.334 0 N-CA-C 108.903 -0.777 . . . . 1.54 108.903 176.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.65 -24.22 77.98 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.92 2.414 . . . . 0.52 112.257 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.4 ' HA ' ' HB3' ' A' ' 48' ' ' LYS . . . -92.69 -25.33 18.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.846 0.355 . . . . 0.35 111.127 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.6 ' CB ' ' HB3' ' A' ' 43' ' ' ASP . . . -67.46 -47.66 69.46 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.139 0.495 . . . . 0.31 109.788 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 15.6 p -67.4 -34.51 77.4 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.663 -0.699 . . . . 1.02 109.459 175.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 87.0 tttt -61.76 -46.35 89.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.05 -0.523 . . . . 2.37 110.171 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.81 -42.34 90.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.201 0.525 . . . . 0.31 110.857 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.545 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 31.1 t60 -72.71 -30.77 64.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.396 -0.82 . . . . 0.81 111.93 -178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 48.9 mm-40 -78.11 -30.09 49.27 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.359 0.599 . . . . 3.27 110.391 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 30.2 mtpp -64.27 -23.88 67.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.554 -0.748 . . . . 2.9 110.902 172.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.4 p -90.31 -10.39 44.3 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.86 -0.336 . . . . 0.58 110.769 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.521 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 5.5 m-70 -67.4 -42.28 83.56 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.232 0.539 . . . . 1.0 109.555 170.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.4 t -127.58 98.54 28.38 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.406 -0.815 . . . . 1.4 109.111 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo . . . . . 0 C--O 1.234 0.304 0 C-N-CA 122.771 2.314 . . . . 1.01 112.397 -177.09 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 110.039 -0.356 . . . . 1.69 110.039 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 57.6 m -147.52 120.72 8.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.067 -0.515 . . . . 1.39 110.611 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.39 95.83 3.89 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.79 -1.189 . . . . 0.93 107.79 173.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -79.42 0.05 30.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.064 0.764 . . . . 4.92 113.064 -164.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -109.3 -22.92 11.83 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.484 -0.486 . . . . 2.64 111.23 -179.044 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.6 p -109.59 -9.67 14.87 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 120.523 -0.471 . . . . 0.89 109.92 172.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.9 t 74.48 24.14 1.83 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.076 -0.965 . . . . 1.35 111.924 173.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -102.16 122.74 44.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.693 -0.23 . . . . 2.95 110.664 177.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -93.42 161.17 14.49 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.219 -0.301 . . . . 0.46 111.234 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -139.68 147.63 41.24 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.151 -0.477 . . . . 0.96 110.795 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 p -94.33 -15.13 24.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.732 -0.667 . . . . 1.65 110.987 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.463 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 4.8 m-20 -114.41 131.42 23.31 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.511 . . . . 1.54 110.985 -172.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 21.0 Cg_exo -65.75 -34.23 41.23 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.439 2.759 . . . . 0.52 112.713 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . . . -84.79 -24.57 28.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.19 0.519 . . . . 0.35 110.08 -177.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.97 -45.07 71.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.615 -0.721 . . . . 0.31 109.142 175.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 44.5 t -67.45 -28.45 67.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.44 -0.8 . . . . 1.02 109.886 174.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 45' ' ' ALA . 7.2 tptp -69.23 -45.7 69.15 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.117 -0.492 . . . . 2.37 110.019 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.99 -32.76 69.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.772 -0.649 . . . . 0.31 109.939 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -74.1 -29.64 61.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.141 -0.936 . . . . 0.81 110.325 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 28.4 mt-10 -59.18 -38.68 80.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.138 0.494 . . . . 3.27 109.767 171.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 10.4 mmpt? -80.12 -5.67 56.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.447 -0.797 . . . . 2.9 111.861 -175.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.7 p -92.47 -22.97 19.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.044 0.45 . . . . 0.58 110.321 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.586 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 52.8 m80 -88.28 -35.47 17.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.353 0.597 . . . . 1.0 109.673 170.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.7 t -109.02 80.46 1.32 Allowed Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.324 -0.991 . . . . 1.4 108.324 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.586 ' HD3' ' O ' ' A' ' 54' ' ' HIS . 13.9 Cg_exo . . . . . 0 N--CA 1.46 -0.46 0 C-N-CA 123.024 2.482 . . . . 1.01 111.935 -172.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.539 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 1.3 m-85 . . . . . 0 CA--C 1.517 -0.313 0 N-CA-C 108.497 -0.927 . . . . 1.69 108.497 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -99.88 137.54 38.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.673 -1.149 . . . . 1.39 111.052 -175.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.1 t -110.07 138.55 46.29 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.438 -0.801 . . . . 0.93 109.382 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 30.2 ptt180 -90.19 -40.73 12.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.455 -0.339 . . . . 4.92 111.712 -173.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.503 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 2.2 pm0 -75.86 -35.56 59.86 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.555 0.576 . . . . 2.64 112.555 -172.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.516 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 13.1 p -99.87 -8.05 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.578 -0.849 . . . . 0.89 109.882 176.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 m 66.87 11.28 8.21 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.794 -1.094 . . . . 1.35 112.372 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.487 ' NZ ' ' HB2' ' A' ' 39' ' ' LYS . 4.3 ttmp? -100.9 126.38 47.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.514 -0.312 . . . . 2.95 110.707 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -109.6 144.45 37.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.313 -0.403 . . . . 0.46 110.291 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.544 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 60.6 m-85 -115.33 158.09 22.9 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.227 -0.442 . . . . 0.96 110.748 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.0 t -96.33 -3.36 43.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.274 0.559 . . . . 1.65 109.695 175.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -117.71 118.58 34.87 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.719 -0.673 . . . . 1.54 109.923 178.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 32.4 Cg_exo -58.39 -31.78 94.75 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 123.225 2.617 . . . . 0.52 113.077 -177.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.96 -24.76 22.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.816 0.341 . . . . 0.35 110.521 -177.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.78 78.29 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.339 -0.615 . . . . 0.31 109.339 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 44.2 t -68.09 -33.39 74.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.546 -0.752 . . . . 1.02 109.604 174.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -66.04 -39.29 90.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.941 -0.572 . . . . 2.37 110.328 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.68 -44.49 66.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.942 -0.572 . . . . 0.31 110.33 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.516 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 29.2 t60 -62.02 -43.44 98.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.41 -0.814 . . . . 0.81 111.351 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 49.8 mm-40 -66.83 -27.63 67.71 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.143 0.497 . . . . 3.27 111.145 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -65.97 -22.34 66.47 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.766 -0.652 . . . . 2.9 111.826 172.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.5 p -82.42 -21.14 35.86 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.38 -0.528 . . . . 0.58 110.406 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 29.7 m-70 -63.4 -40.96 98.61 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.325 0.583 . . . . 1.0 109.756 170.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.5 m -122.03 76.75 40.81 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.527 -0.76 . . . . 1.4 109.246 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo . . . . . 0 C--N 1.346 0.412 0 C-N-CA 123.1 2.534 . . . . 1.01 113.03 -170.689 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.063 0.459 . . . . 1.69 110.066 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.2 t -97.81 99.17 10.49 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.883 -0.599 . . . . 1.39 109.695 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 36' ' ' GLU . 53.6 t -77.94 105.12 8.93 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.536 -0.757 . . . . 0.93 109.682 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -68.02 -26.38 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 4.92 110.305 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.518 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 7.7 tp10 -54.63 -46.66 73.94 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.653 -0.703 . . . . 2.64 111.453 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.518 ' HG ' ' CE1' ' A' ' 50' ' ' HIS . 27.5 p -115.16 -0.36 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.89 111.342 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 m 65.03 19.85 11.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.481 -0.782 . . . . 1.35 111.796 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -101.25 148.86 24.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 2.95 109.916 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.19 136.65 54.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.874 0.368 . . . . 0.46 111.146 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.401 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 44.3 m-85 -127.51 155.61 43.49 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.007 -0.738 . . . . 0.96 109.007 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.3 p -110.03 -7.17 14.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.098 0.475 . . . . 1.65 110.449 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -120.94 125.23 27.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.619 -0.719 . . . . 1.54 110.968 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.568 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 34.1 Cg_exo -60.15 -26.01 81.42 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.596 2.864 . . . . 0.52 113.546 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.92 -24.88 20.05 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.156 0.503 . . . . 0.35 110.541 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.06 -47.66 57.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.778 -0.646 . . . . 0.31 109.747 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 44' ' ' PRO . 28.4 p -67.92 -25.21 65.36 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.605 -0.725 . . . . 1.02 109.365 174.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 41.8 tttp -64.33 -48.52 75.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.011 -0.541 . . . . 2.37 109.679 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 53' ' ' THR . . . -61.17 -43.57 98.68 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.512 0.672 . . . . 0.31 110.013 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.518 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 49.6 t60 -64.02 -49.39 72.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.744 -1.116 . . . . 0.81 111.471 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 62.4 mm-40 -66.09 -30.64 71.19 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.998 0.428 . . . . 3.27 111.041 -177.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 30.1 mtpp -64.7 -21.29 66.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.026 -0.533 . . . . 2.9 111.196 173.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 49' ' ' ALA . 33.1 p -88.92 -20.16 24.89 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.212 -0.595 . . . . 0.58 110.55 175.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 9.3 m170 -61.0 -41.39 96.41 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.359 0.6 . . . . 1.0 110.24 172.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.7 m -121.43 88.65 46.36 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.232 -0.895 . . . . 1.4 109.191 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--N 1.343 0.256 0 C-N-CA 123.229 2.62 . . . . 1.01 113.133 -174.376 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 120.968 0.414 . . . . 1.69 110.42 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -100.93 99.76 10.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.165 -0.471 . . . . 1.39 110.155 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.14 136.42 55.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.871 -0.604 . . . . 0.93 109.93 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -90.15 -35.59 15.31 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.89 -0.595 . . . . 4.92 111.96 -170.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -33.14 56.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.03 0.381 . . . . 2.64 112.03 -173.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.443 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 19.5 p -110.1 -2.2 17.08 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 119.857 -0.737 . . . . 0.89 111.209 -177.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.2 m 65.28 14.52 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.409 -0.814 . . . . 1.35 111.96 175.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -100.51 121.92 42.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.843 0.354 . . . . 2.95 110.519 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.09 143.1 27.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.948 -0.569 . . . . 0.46 110.853 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -123.46 142.63 50.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.23 0.538 . . . . 0.96 110.8 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 p -84.49 -16.17 43.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.551 -0.75 . . . . 1.65 110.483 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -121.63 124.37 27.17 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.621 -0.718 . . . . 1.54 110.462 -173.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -59.64 -31.81 94.91 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 123.159 2.573 . . . . 0.52 112.879 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.78 -21.94 29.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.28 0.562 . . . . 0.35 110.185 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.3 -40.26 70.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.504 -0.771 . . . . 0.31 109.248 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.468 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 48.1 t -72.21 -25.61 61.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.615 -0.72 . . . . 1.02 109.728 174.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 48' ' ' LYS . 19.9 ttmm -72.17 -40.32 68.03 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.344 0.592 . . . . 2.37 110.48 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.587 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . . . -65.12 -32.46 74.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.753 0.787 . . . . 0.31 109.334 173.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.443 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 86.2 t60 -72.09 -27.49 62.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.735 -1.121 . . . . 0.81 110.717 177.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 48.4 mt-10 -58.25 -37.83 75.68 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.052 -0.722 . . . . 3.27 109.052 172.093 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' A' ' 49' ' ' ALA . 49.7 mtmt -76.28 -9.46 58.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.213 -0.903 . . . . 2.9 111.68 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.5 p -92.83 -23.89 18.68 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.359 -0.536 . . . . 0.58 110.359 174.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.402 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 3.4 m-70 -77.2 -40.41 45.3 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.246 -0.649 . . . . 1.0 109.246 172.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 m -111.97 87.74 9.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.114 -0.698 . . . . 1.4 109.114 172.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 N--CA 1.477 0.545 0 C-N-CA 123.855 3.037 . . . . 1.01 113.911 -170.313 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 121.096 0.474 . . . . 1.69 110.611 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 p -93.76 136.9 33.57 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.757 -0.656 . . . . 1.39 110.669 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.4 t -129.4 102.82 6.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.97 -0.559 . . . . 0.93 110.114 -175.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -64.2 -32.87 74.62 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.778 0.288 . . . . 4.92 111.778 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -51.17 -46.39 62.05 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 122.972 0.509 . . . . 2.64 111.908 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.539 ' HG ' ' CE1' ' A' ' 50' ' ' HIS . 27.2 p -110.72 -0.43 17.09 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.727 -0.389 . . . . 0.89 111.061 -177.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 m 66.98 17.39 10.5 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.57 -0.741 . . . . 1.35 111.468 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 74.8 mmtt -101.2 154.67 18.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.988 0.423 . . . . 2.95 110.797 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.59 132.02 20.87 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.761 -0.654 . . . . 0.46 109.855 177.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.574 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 85.0 m-85 -124.76 150.73 45.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.068 0.461 . . . . 0.96 110.844 -176.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 m -102.42 -2.3 29.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.632 -0.713 . . . . 1.65 110.137 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 16.5 m-20 -111.59 124.3 32.83 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.671 -0.695 . . . . 1.54 109.949 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 32.4 Cg_exo -58.29 -34.85 99.01 Favored 'Trans proline' 0 CA--C 1.521 -0.147 0 C-N-CA 123.583 2.856 . . . . 0.52 113.216 -175.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.4 -23.9 20.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.835 0.35 . . . . 0.35 110.626 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -67.9 -45.65 73.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.698 -0.482 . . . . 0.31 109.698 176.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.574 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 42.6 t -67.49 -35.73 79.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.706 -0.679 . . . . 1.02 109.363 174.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 54.8 tttp -65.96 -29.86 70.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.648 -0.705 . . . . 2.37 110.634 -177.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.66 -50.81 19.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.301 0.572 . . . . 0.31 110.295 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.539 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 29.1 t60 -59.94 -46.21 90.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.284 -0.871 . . . . 0.81 111.399 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -65.03 -25.18 67.73 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.237 0.541 . . . . 3.27 110.834 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 30.9 mtmm -69.78 -16.08 63.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.865 -0.607 . . . . 2.9 111.669 172.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.3 p -84.77 -27.66 26.74 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.088 -0.645 . . . . 0.58 109.765 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -61.33 -41.75 97.55 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.212 0.529 . . . . 1.0 110.068 172.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 p -123.06 89.76 50.63 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.797 -0.638 . . . . 1.4 109.484 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo . . . . . 0 C--N 1.348 0.547 0 C-N-CA 123.4 2.734 . . . . 1.01 113.051 -174.682 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 44' ' ' PRO . 91.1 m-85 . . . . . 0 CA--C 1.516 -0.354 0 N-CA-C 109.764 -0.458 . . . . 1.69 109.764 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.55 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 49.9 m -136.3 126.64 26.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.179 0.514 . . . . 1.39 111.413 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.8 t -80.69 82.51 6.68 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.742 -0.836 . . . . 0.93 108.742 173.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -55.35 -23.34 23.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 4.92 111.944 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.416 ' HB2' ' NE2' ' A' ' 54' ' ' HIS . 2.2 mm-40 -59.31 -38.13 79.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.457 -0.338 . . . . 2.64 110.896 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.6 p -127.85 1.42 6.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.104 0.478 . . . . 0.89 111.383 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.4 t 71.2 25.24 3.64 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.287 -0.87 . . . . 1.35 111.891 176.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -100.87 120.78 40.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.687 0.28 . . . . 2.95 110.57 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -95.84 158.99 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.914 0.387 . . . . 0.46 111.681 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -139.78 156.59 46.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.83 -0.623 . . . . 0.96 110.545 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.1 m -104.64 -4.42 22.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.902 -0.59 . . . . 1.65 109.879 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.459 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 14.4 m-20 -117.38 122.6 30.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.713 -0.676 . . . . 1.54 110.015 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 19.6 Cg_endo -60.22 -33.76 94.52 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.29 2.66 . . . . 0.52 113.335 -177.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.01 -25.83 24.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.35 110.208 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -67.51 -39.04 85.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.141 -0.689 . . . . 0.31 109.141 174.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 39.9 t -68.18 -37.1 80.6 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.153 -0.931 . . . . 1.02 109.892 173.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -65.96 -39.05 90.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.183 0.516 . . . . 2.37 110.587 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 53' ' ' THR . . . -69.62 -41.05 76.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.767 -0.651 . . . . 0.31 109.602 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -64.51 -43.27 94.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.801 -1.091 . . . . 0.81 111.07 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 44.1 mt-10 -58.26 -39.42 79.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.346 0.593 . . . . 3.27 110.301 176.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -83.24 9.91 9.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.691 -0.686 . . . . 2.9 112.534 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 49' ' ' ALA . 69.8 p -96.72 -24.51 15.92 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.689 -0.856 . . . . 0.58 108.689 166.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.49 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 16.2 m80 -74.09 -36.91 64.3 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 108.816 -0.809 . . . . 1.0 108.816 169.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.0 t -107.33 86.35 2.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 114.992 -1.003 . . . . 1.4 109.0 172.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 54' ' ' HIS . 73.2 Cg_exo . . . . . 0 C--N 1.348 0.529 0 C-N-CA 123.304 2.669 . . . . 1.01 113.222 -173.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 CA--C 1.518 -0.251 0 N-CA-C 109.74 -0.467 . . . . 1.69 109.74 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.3 m -124.66 131.7 53.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.388 0.613 . . . . 1.39 111.375 -175.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.436 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 1.9 t -94.57 82.02 3.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.183 -0.917 . . . . 0.93 108.875 178.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -46.3 -43.05 15.47 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.939 0.718 . . . . 4.92 112.939 -173.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.521 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 12.6 mm-40 -61.97 -30.52 70.98 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.4 0.519 . . . . 2.64 112.4 -173.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 14.6 p -124.28 6.11 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.285 -0.566 . . . . 0.89 111.231 -174.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.5 p 54.66 33.01 18.38 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.825 1.25 . . . . 1.35 113.596 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 5.8 tmtt? -101.34 157.52 16.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.475 -0.565 . . . . 2.95 109.475 174.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.18 149.53 46.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.679 0.276 . . . . 0.46 110.743 176.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' A' ' 34' ' ' CYS . 59.1 m-85 -113.76 137.42 51.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.362 -0.381 . . . . 0.96 110.976 -175.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.1 p -90.21 -7.89 52.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.906 -0.588 . . . . 1.65 110.722 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 30.7 m-20 -123.94 133.86 24.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.036 -0.529 . . . . 1.54 110.612 -178.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 21.1 Cg_exo -66.07 -28.98 48.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.244 2.629 . . . . 0.52 112.745 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.04 -24.46 26.36 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.027 0.441 . . . . 0.35 109.93 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.98 -38.87 92.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.736 -0.665 . . . . 0.31 109.754 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 47.3 t -67.08 -40.3 86.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.701 -0.682 . . . . 1.02 109.673 173.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 84.0 tttt -63.41 -49.85 72.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.533 -0.758 . . . . 2.37 110.701 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.66 -33.69 76.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.45 -0.796 . . . . 0.31 110.425 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.415 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 23.1 t60 -78.24 -28.33 47.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.658 -0.701 . . . . 0.81 110.752 -177.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 37.6 mt-10 -56.41 -35.81 68.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.749 0.785 . . . . 3.27 109.195 169.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 62.1 mmtt -82.59 -7.47 59.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.773 -1.103 . . . . 2.9 111.591 -177.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.2 p -99.65 -32.74 10.92 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.756 -0.378 . . . . 0.58 111.1 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 36' ' ' GLU . 3.0 m-70 -72.08 -35.81 69.35 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.28 0.562 . . . . 1.0 109.559 173.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.3 t -119.43 88.41 38.25 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.307 -0.997 . . . . 1.4 108.307 170.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.465 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 18.0 Cg_exo . . . . . 0 C--O 1.236 0.376 0 C-N-CA 123.224 2.616 . . . . 1.01 113.846 -170.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.467 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 95.6 m-85 . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 121.473 0.654 . . . . 1.69 110.714 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.2 m -84.63 100.83 11.69 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.047 -0.979 . . . . 1.39 110.174 177.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.47 ' SG ' ' HB3' ' A' ' 36' ' ' GLU . 47.5 t -97.22 108.1 20.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.055 -0.52 . . . . 0.93 110.453 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 35' ' ' ARG . 39.1 mtm180 -79.25 -14.04 59.29 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.882 -0.327 . . . . 4.92 111.13 -179.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 9.3 tp10 -61.32 -43.59 98.62 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.216 0.531 . . . . 2.64 110.885 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.407 ' HG ' ' CE1' ' A' ' 50' ' ' HIS . 25.4 p -113.59 0.19 14.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.833 -0.621 . . . . 0.89 110.088 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 m 68.2 11.25 8.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.233 -0.894 . . . . 1.35 111.749 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 62.2 mttp -102.75 142.43 33.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.356 -0.383 . . . . 2.95 110.646 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.22 128.42 52.41 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.213 -0.449 . . . . 0.46 110.445 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.544 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 79.4 m-85 -113.31 154.04 27.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.34 -0.391 . . . . 0.96 110.468 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.09 -5.25 14.81 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.942 -0.572 . . . . 1.65 109.662 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.471 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 7.7 m-20 -106.02 120.24 49.59 Favored Pre-proline 0 C--O 1.234 0.265 0 CA-C-N 115.751 -0.659 . . . . 1.54 109.503 178.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 52.6 Cg_exo -55.99 -34.89 93.5 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.663 2.909 . . . . 0.52 113.582 -174.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.2 -23.8 21.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.874 0.369 . . . . 0.35 110.902 -176.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -71.98 -40.86 68.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.713 -0.477 . . . . 0.31 109.713 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 51.9 t -69.61 -34.21 73.76 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.784 -0.644 . . . . 1.02 109.6 173.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.672 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 47.9 tttp -64.92 -50.3 67.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.962 -0.563 . . . . 2.37 109.966 -177.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 53' ' ' THR . . . -62.04 -42.6 99.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.347 0.594 . . . . 0.31 110.252 -178.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.407 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 55.6 t60 -62.77 -48.08 80.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.073 -0.967 . . . . 0.81 111.278 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 56.7 mm-40 -67.54 -32.37 73.1 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.924 0.392 . . . . 3.27 111.381 -177.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 32.6 mmmt -55.97 -37.23 68.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.057 -0.52 . . . . 2.9 110.796 172.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 49' ' ' ALA . 28.9 p -78.02 -24.63 47.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.602 -0.272 . . . . 0.58 111.463 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 6.6 m170 -58.82 -43.02 90.53 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.171 0.51 . . . . 1.0 110.396 176.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 t -113.44 78.07 3.4 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 107.786 -1.19 . . . . 1.4 107.786 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo . . . . . 0 N--CA 1.462 -0.356 0 C-N-CA 122.775 2.317 . . . . 1.01 112.714 -168.227 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.488 -0.56 . . . . 1.69 109.488 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.557 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 10.4 t -148.45 154.5 39.96 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.238 0.542 . . . . 1.39 110.655 -178.191 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.7 t -104.8 103.55 13.18 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.96 -0.756 . . . . 0.93 108.96 176.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -59.72 -44.46 93.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.571 -0.74 . . . . 4.92 111.387 -172.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.31 -37.37 85.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.275 -0.875 . . . . 2.64 113.279 -172.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.4 p -115.32 -3.08 12.5 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.574 -0.85 . . . . 0.89 111.852 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t 72.41 21.12 3.81 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.585 0.754 . . . . 1.35 112.509 172.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -101.41 137.95 39.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.119 -0.363 . . . . 2.95 110.029 175.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -108.03 159.39 16.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.991 0.424 . . . . 0.46 111.867 -176.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.61 147.84 45.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.681 -0.69 . . . . 0.96 110.604 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.8 p -96.35 -8.48 32.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.982 -0.554 . . . . 1.65 110.698 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.447 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 9.7 m-20 -113.53 128.72 25.38 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 1.54 110.52 -177.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 24.5 Cg_exo -63.13 -35.12 66.41 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.464 2.776 . . . . 0.52 113.162 -176.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.84 -21.47 23.69 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.935 0.398 . . . . 0.35 110.104 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -69.12 -39.05 79.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.259 -0.645 . . . . 0.31 109.259 173.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 45.1 t -68.43 -38.88 81.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.526 -0.761 . . . . 1.02 109.763 174.014 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -64.12 -43.4 95.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.043 0.449 . . . . 2.37 110.465 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 52' ' ' LYS . . . -69.09 -32.18 71.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.517 0.675 . . . . 0.31 110.208 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -69.7 -39.39 76.94 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.061 -0.972 . . . . 0.81 110.264 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 46.0 mt-10 -64.79 -24.62 67.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.543 0.687 . . . . 3.27 110.313 176.243 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 29.4 mmtp -72.85 -21.32 60.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.188 -0.914 . . . . 2.9 111.176 175.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.6 p -87.7 -29.14 21.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.369 -0.532 . . . . 0.58 111.335 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -75.51 -17.99 59.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.333 0.587 . . . . 1.0 109.95 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 m -118.61 76.19 13.28 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.631 -0.878 . . . . 1.4 108.631 169.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo . . . . . 0 C--O 1.237 0.43 0 C-N-CA 122.682 2.255 . . . . 1.01 112.716 -171.215 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.9 t80 . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 108.931 -0.766 . . . . 1.69 108.931 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.7 m -126.45 98.83 5.58 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.227 -0.442 . . . . 1.39 110.477 -177.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.4 t -77.2 89.05 3.66 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.643 -0.873 . . . . 0.93 108.643 174.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -74.59 -6.46 48.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.204 -0.453 . . . . 4.92 110.582 -175.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.39 -47.35 76.64 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.841 -0.618 . . . . 2.64 110.495 173.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 21.7 p -107.6 -2.8 19.92 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.33 0.586 . . . . 0.89 110.185 177.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 t 68.51 19.23 8.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.626 -1.17 . . . . 1.35 111.008 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.517 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 64.3 mttp -101.34 121.03 41.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.913 -0.403 . . . . 2.95 109.913 176.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.51 149.6 26.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.138 -0.483 . . . . 0.46 110.597 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.59 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 96.1 m-85 -137.94 148.13 44.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.96 110.636 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.1 p -88.11 -15.0 37.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.641 -0.709 . . . . 1.65 110.956 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 45.1 m-20 -107.63 118.68 52.63 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.398 -0.365 . . . . 1.54 110.025 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 31.4 Cg_exo -59.9 -28.65 87.65 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 123.547 2.831 . . . . 0.52 113.718 -176.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.64 -22.53 21.15 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.524 -0.47 . . . . 0.35 110.585 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 43' ' ' ASP . . . -69.36 -43.44 73.6 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.045 -0.525 . . . . 0.31 109.629 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.59 ' HB3' ' HB2' ' A' ' 41' ' ' PHE . 7.4 p -71.26 -29.13 64.71 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.754 -0.657 . . . . 1.02 110.143 175.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 1.5 tmtp? -66.31 -43.43 86.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.899 -0.592 . . . . 2.37 109.621 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.81 -34.45 77.83 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.475 0.655 . . . . 0.31 110.047 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.505 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 39.5 t60 -68.35 -42.0 79.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.282 -0.872 . . . . 0.81 110.998 176.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 28.7 mm-40 -67.05 -24.86 66.03 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.475 0.655 . . . . 3.27 110.386 178.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 33.9 mtpt -71.56 -14.81 62.2 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.426 -0.806 . . . . 2.9 111.37 172.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.5 p -87.08 -20.9 26.45 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 119.827 -0.749 . . . . 0.58 109.655 173.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.512 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 31.3 m-70 -62.05 -34.26 75.92 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 109.185 -0.672 . . . . 1.0 109.185 169.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.8 p -115.85 79.72 8.17 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.401 -0.818 . . . . 1.4 109.691 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo . . . . . 0 C--N 1.351 0.686 0 C-N-CA 124.224 3.282 . . . . 1.01 113.951 -170.576 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.277 0.561 . . . . 1.69 110.82 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.1 t -100.95 99.07 9.48 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.523 -0.762 . . . . 1.39 109.964 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.402 ' SG ' ' OE2' ' A' ' 51' ' ' GLU . 43.2 t -78.65 107.65 11.49 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.214 -0.661 . . . . 0.93 109.214 176.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -71.72 -32.08 67.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.554 -0.294 . . . . 4.92 111.017 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -57.54 -50.19 73.9 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.948 -0.569 . . . . 2.64 112.002 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.7 p -101.84 -4.18 26.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.361 0.6 . . . . 0.89 110.044 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.1 m 67.53 15.46 9.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.755 -1.112 . . . . 1.35 111.963 177.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -100.8 119.71 39.05 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.82 -0.437 . . . . 2.95 109.82 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.95 146.53 25.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.363 -0.38 . . . . 0.46 110.416 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.553 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 61.2 m-85 -128.14 155.2 44.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.249 -0.432 . . . . 0.96 110.51 177.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 p -106.38 -4.56 19.82 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.833 -0.621 . . . . 1.65 110.234 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.465 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 39.9 m-20 -106.6 116.61 58.68 Favored Pre-proline 0 N--CA 1.451 -0.407 0 N-CA-C 109.272 -0.64 . . . . 1.54 109.272 177.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.85 -34.21 90.77 Favored 'Trans proline' 0 CA--C 1.52 -0.177 0 C-N-CA 123.578 2.852 . . . . 0.52 113.682 -174.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.521 ' HA ' ' HB3' ' A' ' 48' ' ' LYS . . . -90.36 -21.74 21.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.35 110.765 -176.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -70.53 -42.72 70.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.324 0.583 . . . . 0.31 109.513 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.553 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 42.5 t -68.83 -34.64 75.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.45 -0.796 . . . . 1.02 109.558 173.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.521 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 1.8 tmtp? -66.91 -45.12 78.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.951 -0.568 . . . . 2.37 110.588 -177.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.68 -43.32 84.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.26 0.552 . . . . 0.31 110.189 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -62.05 -43.18 99.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.125 -0.943 . . . . 0.81 111.507 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 49.8 mm-40 -68.96 -28.92 67.06 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.239 0.542 . . . . 3.27 111.408 -178.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -70.23 -14.73 62.75 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.781 -0.645 . . . . 2.9 111.555 174.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.6 p -90.64 -19.73 23.32 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.384 -0.526 . . . . 0.58 110.33 172.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.518 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 8.9 m-70 -60.69 -40.98 94.19 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.213 0.53 . . . . 1.0 109.786 170.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -102.59 90.32 2.16 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.289 -0.868 . . . . 1.4 109.052 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo . . . . . 0 C--N 1.35 0.636 0 C-N-CA 123.177 2.585 . . . . 1.01 112.758 -170.535 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 CA--C 1.514 -0.441 0 N-CA-C 109.364 -0.606 . . . . 1.69 109.364 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -131.26 118.84 20.95 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.972 0.415 . . . . 1.39 111.059 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.523 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 0.5 OUTLIER -77.49 85.09 3.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.269 -1.012 . . . . 0.93 108.269 172.672 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -49.85 -45.89 50.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.964 -1.017 . . . . 4.92 113.473 -170.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.818 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 1.4 pm0 -71.28 -18.22 62.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.767 0.655 . . . . 2.64 112.767 -172.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.818 ' SG ' ' HG2' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -137.77 23.82 2.87 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.128 0.418 . . . . 0.89 112.128 -174.844 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 p 48.54 28.06 1.64 Allowed 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.439 1.274 . . . . 1.35 114.439 170.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 37' ' ' CYS . 42.4 mmtm -102.69 103.18 13.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.037 -0.414 . . . . 2.95 111.26 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.05 152.24 18.5 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.993 -0.283 . . . . 0.46 110.612 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -135.04 157.0 48.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.126 -0.488 . . . . 0.96 110.625 -178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.6 t -108.12 -10.73 15.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.612 -0.722 . . . . 1.65 109.188 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 12.9 m-20 -102.77 118.95 57.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.436 -0.802 . . . . 1.54 109.893 178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.97 -32.86 94.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 123.035 2.49 . . . . 0.52 112.801 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.18 -23.48 30.55 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.209 0.528 . . . . 0.35 110.329 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 43' ' ' ASP . . . -69.37 -43.4 73.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.7 -0.682 . . . . 0.31 109.561 175.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.0 t -72.12 -24.28 61.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.678 -0.692 . . . . 1.02 109.627 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -69.73 -47.78 61.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.054 -0.521 . . . . 2.37 110.005 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.86 -39.57 79.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.753 -0.658 . . . . 0.31 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.523 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 17.2 t60 -65.4 -33.08 75.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.767 -0.651 . . . . 0.81 110.282 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -66.95 -32.27 73.4 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.011 0.434 . . . . 3.27 110.204 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -71.15 -25.4 62.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.021 -0.536 . . . . 2.9 110.932 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.2 p -84.2 -8.6 59.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.962 0.41 . . . . 0.58 111.144 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -102.36 8.7 40.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.552 0.691 . . . . 1.0 109.575 170.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.1 m -149.83 69.12 9.19 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.145 -0.934 . . . . 1.4 108.676 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo . . . . . 0 C--N 1.349 0.579 0 C-N-CA 123.28 2.654 . . . . 1.01 113.297 -171.058 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.444 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 77.0 m-85 . . . . . 0 C--O 1.236 0.365 0 CA-C-O 121.746 0.784 . . . . 1.69 110.592 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -76.02 99.84 4.72 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.442 -1.253 . . . . 1.39 110.831 -178.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.5 t -72.38 124.31 24.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.78 -0.645 . . . . 0.93 110.38 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 35' ' ' ARG . 1.7 ptm180 -77.01 -20.43 56.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.355 -0.384 . . . . 4.92 111.902 -176.126 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.495 ' HG2' ' CD2' ' A' ' 54' ' ' HIS . 8.9 tp10 -73.94 -50.45 19.99 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 120.62 0.248 . . . . 2.64 111.342 -175.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.557 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 28.3 p -104.34 -1.98 26.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.09 0.472 . . . . 0.89 110.593 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.5 m 66.08 11.72 7.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.037 -0.983 . . . . 1.35 111.179 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 56.2 tptt -101.08 131.97 46.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 2.95 110.374 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.92 145.65 28.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.555 -0.293 . . . . 0.46 110.4 176.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.559 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 56.1 m-85 -128.99 122.39 29.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.373 -0.376 . . . . 0.96 110.575 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 p -78.5 11.8 2.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.13 -0.486 . . . . 1.65 111.485 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.524 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 26.9 m-20 -125.98 112.02 24.42 Favored Pre-proline 0 N--CA 1.453 -0.307 0 N-CA-C 109.233 -0.655 . . . . 1.54 109.233 176.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.37 -29.01 82.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.981 2.454 . . . . 0.52 113.386 -175.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.29 -25.53 20.48 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.812 -0.355 . . . . 0.35 110.693 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -71.42 -41.48 69.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.335 -0.617 . . . . 0.31 109.335 176.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.559 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 36.3 t -66.13 -33.27 75.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.111 -0.949 . . . . 1.02 109.166 174.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 48' ' ' LYS . 35.2 ttpt -63.64 -48.76 75.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 2.37 110.407 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 53' ' ' THR . . . -65.59 -41.28 92.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.454 0.645 . . . . 0.31 110.433 -178.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.557 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 37.7 t60 -64.97 -45.42 85.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.233 -0.894 . . . . 0.81 111.152 178.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -66.1 -32.73 74.36 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.107 0.479 . . . . 3.27 111.19 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -66.13 -16.26 63.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.99 -0.55 . . . . 2.9 111.752 175.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 49' ' ' ALA . 35.2 p -92.19 -20.39 21.25 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.285 -0.566 . . . . 0.58 110.799 176.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.495 ' CD2' ' HG2' ' A' ' 36' ' ' GLU . 2.1 m-70 -62.61 -41.76 99.18 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.357 0.599 . . . . 1.0 109.572 171.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -112.36 91.26 16.04 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 114.96 -1.018 . . . . 1.4 108.654 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo . . . . . 0 C--N 1.349 0.573 0 C-N-CA 124.698 3.599 . . . . 1.01 114.508 -171.771 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 CA--C 1.52 -0.193 0 N-CA-C 109.732 -0.47 . . . . 1.69 109.732 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.9 m -146.07 128.48 15.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.122 0.487 . . . . 1.39 110.877 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.1 t -74.98 104.02 5.41 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.736 -0.839 . . . . 0.93 108.736 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 35' ' ' ARG . 41.0 mtp180 -62.43 -40.56 96.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.298 -0.41 . . . . 4.92 112.085 -171.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 2.0 pm0 -64.04 -50.23 69.24 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.605 0.594 . . . . 2.64 112.605 -175.255 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.9 p -104.96 -6.29 20.23 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 119.973 -0.691 . . . . 0.89 111.368 -173.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m 69.42 31.49 3.79 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.159 -0.928 . . . . 1.35 112.421 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -100.13 135.14 42.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.113 -0.699 . . . . 2.95 109.113 173.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.09 154.78 30.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.209 0.528 . . . . 0.46 112.184 -173.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -142.82 158.52 43.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.345 -0.843 . . . . 0.96 109.588 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.0 m -109.89 -5.06 15.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.133 0.492 . . . . 1.65 110.361 175.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.05 120.53 51.99 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 1.54 110.534 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.91 -26.25 82.8 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 123.413 2.742 . . . . 0.52 112.969 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.0 -26.71 22.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.258 0.551 . . . . 0.35 110.264 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.89 -40.88 78.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.718 -0.674 . . . . 0.31 109.349 175.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -73.05 -22.81 60.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.597 -0.728 . . . . 1.02 109.83 175.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 31.7 tttp -70.11 -45.79 66.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.599 -0.728 . . . . 2.37 109.526 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.32 69.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.75 -0.659 . . . . 0.31 110.107 176.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -65.8 -36.2 82.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.334 -0.848 . . . . 0.81 110.132 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 48' ' ' LYS . 6.3 tp10 -60.55 -33.77 73.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.679 -0.692 . . . . 3.27 110.189 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 99.7 mttt -75.63 -15.0 60.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.439 -0.801 . . . . 2.9 111.701 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.5 p -92.78 -29.01 16.22 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.813 -0.355 . . . . 0.58 111.253 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -84.32 -28.18 27.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.106 0.479 . . . . 1.0 109.817 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.7 t -120.53 78.93 29.17 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 108.205 -1.035 . . . . 1.4 108.205 169.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.508 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 26.9 Cg_exo . . . . . 0 C--O 1.234 0.281 0 C-N-CA 122.864 2.376 . . . . 1.01 112.999 -171.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.363 -0.606 . . . . 1.69 109.363 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 p -105.11 117.2 33.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.947 -0.57 . . . . 1.39 111.458 -175.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' A' ' 36' ' ' GLU . 28.8 t -80.06 85.72 5.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.669 -0.863 . . . . 0.93 108.669 175.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.471 ' NE ' ' HA ' ' A' ' 35' ' ' ARG . 2.6 tpm_? -58.08 -29.66 65.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.454 -0.794 . . . . 4.92 111.871 -173.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HG2' ' SG ' ' A' ' 34' ' ' CYS . 1.6 pm0 -68.43 -32.69 72.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.022 0.749 . . . . 2.64 113.022 -175.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.5 p -119.56 -0.4 10.84 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 119.86 -0.736 . . . . 0.89 111.853 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.1 t 78.69 7.08 2.27 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.547 -0.751 . . . . 1.35 112.711 172.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -97.75 134.68 40.59 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.89 -0.506 . . . . 2.95 110.644 176.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.9 151.5 46.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.406 -0.361 . . . . 0.46 111.399 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -131.73 166.08 22.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.076 -0.511 . . . . 0.96 110.071 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t -110.17 -1.23 17.52 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.081 -0.711 . . . . 1.65 109.081 174.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.597 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 7.5 m-20 -99.53 115.53 65.58 Favored Pre-proline 0 N--CA 1.451 -0.421 0 CA-C-N 115.705 -0.68 . . . . 1.54 109.326 178.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.0 -29.78 90.09 Favored 'Trans proline' 0 N--CA 1.466 -0.11 0 C-N-CA 122.933 2.422 . . . . 0.52 112.856 -177.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.39 -25.65 20.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.954 0.406 . . . . 0.35 110.413 -177.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.597 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -70.72 -37.22 73.51 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.068 -0.716 . . . . 0.31 109.068 176.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.96 -26.46 59.61 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.02 -0.991 . . . . 1.02 109.828 174.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -70.23 -40.69 74.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.127 0.489 . . . . 2.37 110.019 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.455 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . . . -70.81 -28.26 64.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.643 0.735 . . . . 0.31 110.039 175.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -75.9 -29.52 58.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.887 -1.051 . . . . 0.81 110.151 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -70.81 -42.96 69.58 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.496 -0.774 . . . . 3.27 110.336 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.455 ' HG2' ' HA ' ' A' ' 49' ' ' ALA . 19.2 ptpt -76.44 -5.01 45.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.172 -0.467 . . . . 2.9 111.297 -177.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.5 p -94.02 -21.33 19.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.207 -0.308 . . . . 0.58 110.75 173.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -86.02 -40.79 15.43 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.178 0.513 . . . . 1.0 109.782 169.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.8 m -106.94 84.75 1.65 Allowed Pre-proline 0 N--CA 1.448 -0.553 0 CA-C-N 115.491 -0.777 . . . . 1.4 109.141 171.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo . . . . . 0 N--CA 1.459 -0.512 0 C-N-CA 122.582 2.188 . . . . 1.01 112.541 -173.203 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 120.889 0.376 . . . . 1.69 111.22 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.9 m -105.38 117.14 33.26 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.96 -0.564 . . . . 1.39 110.193 175.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.3 t -76.79 92.48 3.59 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.458 -0.571 . . . . 0.93 109.458 176.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -62.81 -20.36 64.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 4.92 110.937 -175.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -63.15 -34.95 78.72 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.811 -0.631 . . . . 2.64 111.466 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.3 p -134.11 5.86 3.59 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.757 -0.377 . . . . 0.89 111.798 -176.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 t 74.65 0.89 3.68 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.56 0.744 . . . . 1.35 112.139 174.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.44 ' HD2' ' HE1' ' A' ' 50' ' ' HIS . 4.7 ttmp? -90.24 127.52 36.16 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.003 -0.436 . . . . 2.95 110.623 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.38 160.3 16.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.854 0.359 . . . . 0.46 111.353 -178.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -141.69 154.47 45.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 0.96 110.7 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.0 t -97.24 -11.63 23.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.7 -0.682 . . . . 1.65 109.55 176.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.437 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 5.3 m-20 -97.62 118.74 63.85 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.886 -0.597 . . . . 1.54 110.421 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.469 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 34.7 Cg_exo -60.59 -29.29 88.19 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 123.163 2.575 . . . . 0.52 113.102 -178.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.12 -22.55 22.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.126 0.489 . . . . 0.35 110.184 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -71.17 -41.05 70.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.862 -0.608 . . . . 0.31 109.845 176.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.94 -23.04 58.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.316 0.579 . . . . 1.02 109.697 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 79.9 tttt -71.68 -47.43 54.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.409 -0.814 . . . . 2.37 109.706 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.23 -24.57 61.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.514 0.673 . . . . 0.31 109.857 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.44 ' HE1' ' HD2' ' A' ' 39' ' ' LYS . 30.2 t60 -63.89 -36.5 84.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.976 -1.011 . . . . 0.81 110.241 176.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -68.05 -38.77 82.84 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.082 0.468 . . . . 3.27 109.884 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.476 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 46.5 mttp -62.5 -24.84 67.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.798 -0.637 . . . . 2.9 111.504 177.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.4 p -88.14 -14.75 37.92 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.737 -0.385 . . . . 0.58 111.855 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -83.37 -39.75 20.29 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.735 -0.469 . . . . 1.0 109.735 172.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -118.25 82.22 18.1 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.423 -0.954 . . . . 1.4 108.423 173.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 24.0 Cg_exo . . . . . 0 C--N 1.345 0.39 0 C-N-CA 123.273 2.649 . . . . 1.01 113.449 -169.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.1 mptt . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 120.617 0.246 . . . . 5.09 110.352 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -81.09 -3.95 12.41 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.804 2.336 . . . . 1.85 111.605 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -132.79 114.92 14.68 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.61 -0.723 . . . . 1.69 109.514 -177.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.571 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 20.5 t -128.91 130.58 46.99 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.806 0.336 . . . . 1.39 110.507 -179.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 43.2 t -73.9 108.05 6.49 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.53 -0.545 . . . . 0.93 109.53 174.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -66.12 -33.28 75.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.956 -0.565 . . . . 4.92 111.102 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -53.88 30.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.35 0.595 . . . . 2.64 111.498 -174.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.57 12.8 15.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.349 -0.841 . . . . 0.89 111.992 -172.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.5 p 56.86 31.82 20.32 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 114.597 -1.183 . . . . 1.35 113.604 173.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -101.56 107.91 19.32 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.931 -0.396 . . . . 2.95 109.931 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.571 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -92.8 156.83 16.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.904 0.383 . . . . 0.46 111.631 -177.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -136.26 159.61 41.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.805 -0.634 . . . . 0.96 111.006 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.6 m -107.69 -8.92 15.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.172 -0.922 . . . . 1.65 109.596 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.615 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 7.1 t70 -100.76 125.38 38.89 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.461 -0.79 . . . . 1.54 109.61 176.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.02 -21.38 56.56 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.608 2.205 . . . . 0.52 112.171 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.1 -33.54 14.72 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.641 0.257 . . . . 0.35 110.347 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.615 ' CB ' ' HB3' ' A' ' 43' ' ' ASP . . . -59.67 -43.73 93.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.193 0.52 . . . . 0.31 109.768 175.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.4 t -69.9 -28.6 65.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.472 -0.785 . . . . 1.02 110.385 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 16.8 tppt? -71.31 -41.34 70.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.422 -0.354 . . . . 2.37 110.21 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.09 68.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.462 0.648 . . . . 0.31 110.063 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -73.73 -30.37 62.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.043 -0.98 . . . . 0.81 110.238 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.23 -41.03 99.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 115.457 -0.792 . . . . 3.27 110.123 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.811 ' HD2' HD21 ' A' ' 57' ' ' LEU . 71.9 mmtt -77.31 -9.15 58.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.198 -0.91 . . . . 2.9 111.595 -174.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.9 p -96.55 -20.63 18.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.891 0.377 . . . . 0.58 111.093 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -86.94 -19.38 28.87 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.302 0.572 . . . . 1.0 109.638 170.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.3 m -128.59 81.9 69.72 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.36 -0.836 . . . . 1.4 109.368 173.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -48.82 135.16 28.58 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.583 2.855 . . . . 1.01 112.968 -174.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.811 HD21 ' HD2' ' A' ' 52' ' ' LYS . 21.5 mt -82.83 -29.68 29.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.372 -0.831 . . . . 2.15 110.508 -175.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm . . . . . 0 C--O 1.246 0.871 0 CA-C-N 115.358 -0.837 . . . . 3.7 110.302 178.476 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.461 ' HD2' ' HB3' ' A' ' 40' ' ' ALA . 36.4 mtmm . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.739 -0.467 . . . . 5.09 109.739 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.86 -24.48 21.11 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.138 2.559 . . . . 1.85 114.046 -170.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 40' ' ' ALA . 96.9 m-85 -111.77 82.61 1.65 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.178 0.513 . . . . 1.69 110.62 -178.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.4 m -97.55 101.9 13.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.741 -0.663 . . . . 1.39 110.78 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.2 t -86.28 99.71 11.76 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.299 -0.63 . . . . 0.93 109.299 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -65.85 -21.14 66.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.298 -0.41 . . . . 4.92 111.798 -174.344 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.449 ' N ' ' HD3' ' A' ' 35' ' ' ARG . 8.4 tp10 -67.05 -47.29 71.77 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 111.91 0.337 . . . . 2.64 111.91 -175.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -104.72 -1.72 25.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.959 0.409 . . . . 0.89 110.354 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.4 t 70.82 19.12 5.97 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.206 -0.906 . . . . 1.35 111.41 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -101.67 134.72 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 2.95 110.369 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.461 ' HB3' ' HD2' ' A' ' 30' ' ' LYS . . . -120.44 115.84 24.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.226 -0.443 . . . . 0.46 110.303 177.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -104.16 149.96 24.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.11 0.481 . . . . 0.96 111.015 -175.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.3 m -99.62 -9.32 23.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.621 -0.718 . . . . 1.65 109.722 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.605 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 6.1 t70 -99.44 126.64 36.86 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.687 -0.688 . . . . 1.54 109.25 175.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.453 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 24.8 Cg_endo -62.41 -26.88 76.91 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.594 2.196 . . . . 0.52 112.092 177.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . . . -91.12 -29.01 17.53 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.43 -0.35 . . . . 0.35 110.312 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.605 ' CB ' ' HB3' ' A' ' 43' ' ' ASP . . . -63.37 -38.58 91.7 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.087 -0.708 . . . . 0.31 109.087 174.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.8 t -65.54 -44.88 85.49 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 114.972 -1.013 . . . . 1.02 109.59 173.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 44' ' ' PRO . 28.8 mmtp -65.64 -43.72 88.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.579 -0.282 . . . . 2.37 111.668 -175.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.96 -50.17 67.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.268 0.556 . . . . 0.31 110.336 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -64.6 -43.04 95.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.153 -0.931 . . . . 0.81 111.616 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 54' ' ' HIS . 46.7 mm-40 -67.17 -30.3 70.23 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.603 -0.685 . . . . 3.27 111.147 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 52' ' ' LYS . 53.4 mmtt -78.07 5.59 9.67 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.797 -0.638 . . . . 2.9 112.061 173.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.7 p -99.79 -23.1 15.09 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.471 -0.566 . . . . 0.58 109.471 166.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 51' ' ' GLU . 48.6 m-70 -61.93 -41.86 98.43 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.451 -0.944 . . . . 1.0 108.451 169.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 p -115.3 81.8 8.69 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 114.751 -1.113 . . . . 1.4 108.689 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -65.92 136.95 47.03 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.921 2.414 . . . . 1.01 112.621 -171.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.409 ' H ' HD22 ' A' ' 57' ' ' LEU . 2.7 mm? -70.01 -23.28 63.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.415 -0.811 . . . . 2.15 110.086 178.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.8 tptp . . . . . 0 C--O 1.243 0.756 0 CA-C-O 118.447 -0.787 . . . . 3.7 109.569 175.698 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.51 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 91.8 mttt . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 121.228 0.537 . . . . 5.09 109.92 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 21.9 Cg_exo -64.53 -49.26 3.47 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 124.035 3.157 . . . . 1.85 114.18 -167.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 40' ' ' ALA . 95.3 m-85 -92.83 82.73 4.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.214 0.531 . . . . 1.69 110.177 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.5 m -84.38 99.93 10.96 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.404 -0.817 . . . . 1.39 110.761 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 0.5 OUTLIER -87.64 79.95 8.12 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.727 -0.842 . . . . 0.93 108.727 177.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -69.66 -25.79 64.08 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.376 -0.829 . . . . 4.92 113.168 -166.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -24.69 62.41 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.884 -0.726 . . . . 2.64 110.991 -177.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.4 p -114.95 2.38 14.25 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 119.901 -0.72 . . . . 0.89 110.809 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.0 m 65.8 27.88 11.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.028 -0.987 . . . . 1.35 112.081 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -101.6 163.28 12.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.658 0.266 . . . . 2.95 110.529 175.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 32' ' ' PHE . . . -142.52 134.61 27.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.823 0.345 . . . . 0.46 110.096 174.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -120.19 154.98 34.05 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.341 -0.391 . . . . 0.96 110.88 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 m -110.61 -10.1 14.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.366 0.603 . . . . 1.65 109.721 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 7.0 m-20 -101.93 120.59 53.52 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.438 -0.801 . . . . 1.54 109.913 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.16 -29.69 87.43 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 123.091 2.527 . . . . 0.52 113.026 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 48' ' ' LYS . . . -88.78 -23.63 22.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.119 0.485 . . . . 0.35 110.286 -178.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -69.46 -40.95 76.82 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.347 -0.612 . . . . 0.31 109.347 175.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 50.1 t -68.59 -33.47 74.12 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.411 -0.813 . . . . 1.02 109.537 173.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 86.5 tttt -63.04 -43.13 99.51 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.674 -0.694 . . . . 2.37 110.339 -178.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.89 -42.14 70.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.606 -0.725 . . . . 0.31 110.123 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.591 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 71.0 t60 -61.74 -41.01 97.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.141 -0.936 . . . . 0.81 110.486 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 39.1 mt-10 -55.89 -37.52 68.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.135 0.493 . . . . 3.27 110.907 175.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -78.97 -2.66 41.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.755 -0.657 . . . . 2.9 112.144 -176.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.5 p -94.51 -29.34 14.97 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.549 -0.461 . . . . 0.58 109.782 171.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.412 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 67.0 m-70 -76.28 -37.61 57.31 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 174.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 m -115.05 79.0 5.9 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.292 -0.867 . . . . 1.4 109.068 172.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 54' ' ' HIS . 25.5 Cg_exo -63.18 153.5 73.64 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.074 2.516 . . . . 1.01 112.536 -172.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 57' ' ' LEU . 5.1 mp -95.99 -40.05 9.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.628 -0.715 . . . . 2.15 109.102 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.944 0 CA-C-N 114.92 -1.037 . . . . 3.7 109.272 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 61.2 mttp . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 109.866 -0.42 . . . . 5.09 109.866 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.524 ' HG2' ' HA ' ' A' ' 42' ' ' SER . 14.7 Cg_endo -57.2 -38.05 96.29 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.408 2.739 . . . . 1.85 113.095 -175.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 91.4 m-85 -132.76 96.92 3.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.157 0.503 . . . . 1.69 109.797 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.3 t -114.63 107.55 15.63 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.582 -0.735 . . . . 1.39 109.891 -177.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 36' ' ' GLU . 40.4 t -89.64 94.94 10.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.751 -0.659 . . . . 0.93 109.807 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -69.39 -9.1 52.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 4.92 111.238 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 11.3 tp10 -68.21 -42.22 80.15 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 116.391 -0.368 . . . . 2.64 110.584 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.9 p -117.91 -3.89 11.14 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 121.002 -0.279 . . . . 0.89 111.345 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.5 m 72.78 19.61 3.87 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.319 0.648 . . . . 1.35 112.181 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -100.77 149.74 23.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.172 -0.307 . . . . 2.95 110.172 175.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.53 140.94 51.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.839 0.352 . . . . 0.46 110.686 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 55.0 m-85 -132.56 156.12 47.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.153 -0.476 . . . . 0.96 109.791 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.524 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 48.7 m -110.06 -0.42 18.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.113 0.483 . . . . 1.65 110.157 176.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.6 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 7.2 t70 -104.36 124.74 36.24 Favored Pre-proline 0 C--O 1.235 0.334 0 N-CA-C 108.903 -0.777 . . . . 1.54 108.903 176.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.65 -24.22 77.98 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.92 2.414 . . . . 0.52 112.257 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.4 ' HA ' ' HB3' ' A' ' 48' ' ' LYS . . . -92.69 -25.33 18.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.846 0.355 . . . . 0.35 111.127 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.6 ' CB ' ' HB3' ' A' ' 43' ' ' ASP . . . -67.46 -47.66 69.46 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.139 0.495 . . . . 0.31 109.788 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 15.6 p -67.4 -34.51 77.4 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.663 -0.699 . . . . 1.02 109.459 175.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 87.0 tttt -61.76 -46.35 89.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.05 -0.523 . . . . 2.37 110.171 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.81 -42.34 90.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.201 0.525 . . . . 0.31 110.857 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -72.71 -30.77 64.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.396 -0.82 . . . . 0.81 111.93 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 48.9 mm-40 -78.11 -30.09 49.27 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.359 0.599 . . . . 3.27 110.391 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 30.2 mtpp -64.27 -23.88 67.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.554 -0.748 . . . . 2.9 110.902 172.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.4 p -90.31 -10.39 44.3 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.86 -0.336 . . . . 0.58 110.769 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.521 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 5.5 m-70 -67.4 -42.28 83.56 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.232 0.539 . . . . 1.0 109.555 170.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.4 t -127.58 98.54 28.38 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.406 -0.815 . . . . 1.4 109.111 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.22 119.59 6.95 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.771 2.314 . . . . 1.01 112.397 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -87.06 -40.83 14.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.532 -0.758 . . . . 2.15 109.384 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.437 ' HE2' ' HB2' ' A' ' 58' ' ' LYS . 3.7 ptmm? . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.076 -0.966 . . . . 3.7 109.982 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 109.74 -0.467 . . . . 5.09 109.74 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.02 -43.85 10.91 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 2.274 . . . . 1.85 112.25 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -135.39 142.01 45.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.369 -0.378 . . . . 1.69 110.039 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 57.6 m -147.52 120.72 8.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.067 -0.515 . . . . 1.39 110.611 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 0.5 OUTLIER -76.39 95.83 3.89 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.79 -1.189 . . . . 0.93 107.79 173.192 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -79.42 0.05 30.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.064 0.764 . . . . 4.92 113.064 -164.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -109.3 -22.92 11.83 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.484 -0.486 . . . . 2.64 111.23 -179.044 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.441 ' HB3' ' HE1' ' A' ' 54' ' ' HIS . 14.6 p -109.59 -9.67 14.87 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 120.523 -0.471 . . . . 0.89 109.92 172.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.9 t 74.48 24.14 1.83 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.076 -0.965 . . . . 1.35 111.924 173.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -102.16 122.74 44.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.693 -0.23 . . . . 2.95 110.664 177.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -93.42 161.17 14.49 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.219 -0.301 . . . . 0.46 111.234 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -139.68 147.63 41.24 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.151 -0.477 . . . . 0.96 110.795 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 p -94.33 -15.13 24.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.732 -0.667 . . . . 1.65 110.987 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.463 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 4.8 m-20 -114.41 131.42 23.31 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.511 . . . . 1.54 110.985 -172.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 21.0 Cg_exo -65.75 -34.23 41.23 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.439 2.759 . . . . 0.52 112.713 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . . . -84.79 -24.57 28.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.19 0.519 . . . . 0.35 110.08 -177.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.97 -45.07 71.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.615 -0.721 . . . . 0.31 109.142 175.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 44.5 t -67.45 -28.45 67.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.44 -0.8 . . . . 1.02 109.886 174.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 45' ' ' ALA . 7.2 tptp -69.23 -45.7 69.15 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.117 -0.492 . . . . 2.37 110.019 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.99 -32.76 69.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.772 -0.649 . . . . 0.31 109.939 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.523 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 20.4 t60 -74.1 -29.64 61.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.141 -0.936 . . . . 0.81 110.325 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 28.4 mt-10 -59.18 -38.68 80.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.138 0.494 . . . . 3.27 109.767 171.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 10.4 mmpt? -80.12 -5.67 56.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.447 -0.797 . . . . 2.9 111.861 -175.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.7 p -92.47 -22.97 19.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.044 0.45 . . . . 0.58 110.321 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.586 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 28.6 m-70 -88.28 -35.47 17.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.353 0.597 . . . . 1.0 109.673 170.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.7 t -109.02 80.46 1.32 Allowed Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.324 -0.991 . . . . 1.4 108.324 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.586 ' HD3' ' O ' ' A' ' 54' ' ' HIS . 13.9 Cg_exo -68.68 130.22 20.28 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.024 2.482 . . . . 1.01 111.935 -172.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.492 ' H ' HD22 ' A' ' 57' ' ' LEU . 1.5 mm? -70.39 -37.95 74.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.472 -0.936 . . . . 2.15 108.472 177.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.409 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . 37.6 ttmt . . . . . 0 C--O 1.247 0.944 0 CA-C-N 114.73 -1.123 . . . . 3.7 109.358 173.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 33' ' ' SER . 35.4 mmtp . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.145 -0.317 . . . . 5.09 110.145 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -89.37 -51.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 123.04 2.493 . . . . 1.85 112.714 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.539 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 1.3 m-85 -122.12 34.34 5.2 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.497 -0.927 . . . . 1.69 108.497 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.647 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . 3.2 m -99.88 137.54 38.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.673 -1.149 . . . . 1.39 111.052 -175.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.1 t -110.07 138.55 46.29 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.438 -0.801 . . . . 0.93 109.382 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 30.2 ptt180 -90.19 -40.73 12.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.455 -0.339 . . . . 4.92 111.712 -173.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.503 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 2.2 pm0 -75.86 -35.56 59.86 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.555 0.576 . . . . 2.64 112.555 -172.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.1 p -99.87 -8.05 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.578 -0.849 . . . . 0.89 109.882 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 m 66.87 11.28 8.21 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.794 -1.094 . . . . 1.35 112.372 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.487 ' NZ ' ' HB2' ' A' ' 39' ' ' LYS . 4.3 ttmp? -100.9 126.38 47.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.514 -0.312 . . . . 2.95 110.707 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -109.6 144.45 37.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.313 -0.403 . . . . 0.46 110.291 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.544 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 60.6 m-85 -115.33 158.09 22.9 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.227 -0.442 . . . . 0.96 110.748 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.0 t -96.33 -3.36 43.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.274 0.559 . . . . 1.65 109.695 175.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -117.71 118.58 34.87 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.719 -0.673 . . . . 1.54 109.923 178.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 32.4 Cg_exo -58.39 -31.78 94.75 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 123.225 2.617 . . . . 0.52 113.077 -177.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.96 -24.76 22.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.816 0.341 . . . . 0.35 110.521 -177.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.78 78.29 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.339 -0.615 . . . . 0.31 109.339 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 44.2 t -68.09 -33.39 74.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.546 -0.752 . . . . 1.02 109.604 174.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -66.04 -39.29 90.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.941 -0.572 . . . . 2.37 110.328 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.68 -44.49 66.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.942 -0.572 . . . . 0.31 110.33 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -62.02 -43.44 98.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.41 -0.814 . . . . 0.81 111.351 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 49.8 mm-40 -66.83 -27.63 67.71 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.143 0.497 . . . . 3.27 111.145 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -65.97 -22.34 66.47 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.766 -0.652 . . . . 2.9 111.826 172.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.5 p -82.42 -21.14 35.86 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.38 -0.528 . . . . 0.58 110.406 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 29.7 m-70 -63.4 -40.96 98.61 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.325 0.583 . . . . 1.0 109.756 170.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.5 m -122.03 76.75 40.81 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.527 -0.76 . . . . 1.4 109.246 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -59.68 151.54 69.33 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.1 2.534 . . . . 1.01 113.03 -170.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 57' ' ' LEU . 5.2 mp -86.26 -40.98 14.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.888 -1.051 . . . . 2.15 109.332 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt . . . . . 0 C--O 1.252 1.223 0 CA-C-N 115.387 -0.824 . . . . 3.7 110.235 171.352 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 39.6 mmtm . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.15 0.5 . . . . 5.09 110.408 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 31.2 Cg_exo -60.2 -50.57 7.03 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.713 2.942 . . . . 1.85 113.306 -174.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -121.3 87.82 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.063 0.459 . . . . 1.69 110.066 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.2 t -97.81 99.17 10.49 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.883 -0.599 . . . . 1.39 109.695 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 36' ' ' GLU . 53.6 t -77.94 105.12 8.93 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.536 -0.757 . . . . 0.93 109.682 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -68.02 -26.38 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 4.92 110.305 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.518 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 7.7 tp10 -54.63 -46.66 73.94 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.653 -0.703 . . . . 2.64 111.453 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 27.5 p -115.16 -0.36 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.89 111.342 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 m 65.03 19.85 11.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.481 -0.782 . . . . 1.35 111.796 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -101.25 148.86 24.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 2.95 109.916 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.19 136.65 54.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.874 0.368 . . . . 0.46 111.146 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.401 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 44.3 m-85 -127.51 155.61 43.49 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.007 -0.738 . . . . 0.96 109.007 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.3 p -110.03 -7.17 14.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.098 0.475 . . . . 1.65 110.449 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -120.94 125.23 27.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.619 -0.719 . . . . 1.54 110.968 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.568 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 34.1 Cg_exo -60.15 -26.01 81.42 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.596 2.864 . . . . 0.52 113.546 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.92 -24.88 20.05 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.156 0.503 . . . . 0.35 110.541 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.06 -47.66 57.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.778 -0.646 . . . . 0.31 109.747 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 44' ' ' PRO . 28.4 p -67.92 -25.21 65.36 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.605 -0.725 . . . . 1.02 109.365 174.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 41.8 tttp -64.33 -48.52 75.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.011 -0.541 . . . . 2.37 109.679 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 53' ' ' THR . . . -61.17 -43.57 98.68 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.512 0.672 . . . . 0.31 110.013 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -64.02 -49.39 72.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.744 -1.116 . . . . 0.81 111.471 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 62.4 mm-40 -66.09 -30.64 71.19 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.998 0.428 . . . . 3.27 111.041 -177.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 30.1 mtpp -64.7 -21.29 66.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.026 -0.533 . . . . 2.9 111.196 173.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 49' ' ' ALA . 33.1 p -88.92 -20.16 24.89 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.212 -0.595 . . . . 0.58 110.55 175.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 1.6 m-70 -61.0 -41.39 96.41 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.359 0.6 . . . . 1.0 110.24 172.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.7 m -121.43 88.65 46.36 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.232 -0.895 . . . . 1.4 109.191 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.05 135.51 69.06 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.229 2.62 . . . . 1.01 113.133 -174.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -87.84 2.79 50.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.694 -0.685 . . . . 2.15 109.715 177.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.25 1.086 0 CA-C-N 115.237 -0.892 . . . . 3.7 110.242 178.101 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 mttt . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.808 -0.441 . . . . 5.09 109.808 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -49.83 -52.99 7.8 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.631 2.221 . . . . 1.85 113.423 -169.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -147.93 94.01 2.27 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.467 0.48 . . . . 1.69 110.42 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -100.93 99.76 10.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.165 -0.471 . . . . 1.39 110.155 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.14 136.42 55.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.871 -0.604 . . . . 0.93 109.93 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -90.15 -35.59 15.31 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.89 -0.595 . . . . 4.92 111.96 -170.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -33.14 56.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.03 0.381 . . . . 2.64 112.03 -173.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' HB3' ' HE1' ' A' ' 54' ' ' HIS . 19.5 p -110.1 -2.2 17.08 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 119.857 -0.737 . . . . 0.89 111.209 -177.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.2 m 65.28 14.52 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.409 -0.814 . . . . 1.35 111.96 175.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -100.51 121.92 42.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.843 0.354 . . . . 2.95 110.519 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.09 143.1 27.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.948 -0.569 . . . . 0.46 110.853 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -123.46 142.63 50.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.23 0.538 . . . . 0.96 110.8 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 p -84.49 -16.17 43.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.551 -0.75 . . . . 1.65 110.483 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -121.63 124.37 27.17 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.621 -0.718 . . . . 1.54 110.462 -173.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -59.64 -31.81 94.91 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 123.159 2.573 . . . . 0.52 112.879 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.78 -21.94 29.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.28 0.562 . . . . 0.35 110.185 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.3 -40.26 70.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.504 -0.771 . . . . 0.31 109.248 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.468 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 48.1 t -72.21 -25.61 61.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.615 -0.72 . . . . 1.02 109.728 174.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 48' ' ' LYS . 19.9 ttmm -72.17 -40.32 68.03 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.344 0.592 . . . . 2.37 110.48 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.587 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . . . -65.12 -32.46 74.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.753 0.787 . . . . 0.31 109.334 173.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -72.09 -27.49 62.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.735 -1.121 . . . . 0.81 110.717 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 48.4 mt-10 -58.25 -37.83 75.68 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.052 -0.722 . . . . 3.27 109.052 172.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' A' ' 49' ' ' ALA . 49.7 mtmt -76.28 -9.46 58.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.213 -0.903 . . . . 2.9 111.68 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.5 p -92.83 -23.89 18.68 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.359 -0.536 . . . . 0.58 110.359 174.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.402 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 3.4 m-70 -77.2 -40.41 45.3 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.246 -0.649 . . . . 1.0 109.246 172.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 m -111.97 87.74 9.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.114 -0.698 . . . . 1.4 109.114 172.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.06 144.19 70.21 Favored 'Trans proline' 0 N--CA 1.477 0.545 0 C-N-CA 123.855 3.037 . . . . 1.01 113.911 -170.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 52' ' ' LYS . 2.1 mm? -72.8 -30.32 63.98 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.284 -0.871 . . . . 2.15 110.516 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.617 -0.706 . . . . 3.7 109.586 176.045 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.719 -0.474 . . . . 5.09 109.719 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.745 ' HG2' ' HA ' ' A' ' 42' ' ' SER . 6.4 Cg_endo -48.47 -50.94 11.14 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 123.567 2.845 . . . . 1.85 113.627 -170.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -127.2 82.54 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.096 0.474 . . . . 1.69 110.611 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 p -93.76 136.9 33.57 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.757 -0.656 . . . . 1.39 110.669 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.4 t -129.4 102.82 6.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.97 -0.559 . . . . 0.93 110.114 -175.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -64.2 -32.87 74.62 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.778 0.288 . . . . 4.92 111.778 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -51.17 -46.39 62.05 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 122.972 0.509 . . . . 2.64 111.908 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 27.2 p -110.72 -0.43 17.09 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.727 -0.389 . . . . 0.89 111.061 -177.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 m 66.98 17.39 10.5 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.57 -0.741 . . . . 1.35 111.468 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 74.8 mmtt -101.2 154.67 18.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.988 0.423 . . . . 2.95 110.797 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.59 132.02 20.87 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.761 -0.654 . . . . 0.46 109.855 177.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.574 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 85.0 m-85 -124.76 150.73 45.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.068 0.461 . . . . 0.96 110.844 -176.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.745 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 7.7 m -102.42 -2.3 29.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.632 -0.713 . . . . 1.65 110.137 -178.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 16.5 m-20 -111.59 124.3 32.83 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.671 -0.695 . . . . 1.54 109.949 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 32.4 Cg_exo -58.29 -34.85 99.01 Favored 'Trans proline' 0 CA--C 1.521 -0.147 0 C-N-CA 123.583 2.856 . . . . 0.52 113.216 -175.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.4 -23.9 20.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.835 0.35 . . . . 0.35 110.626 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -67.9 -45.65 73.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.698 -0.482 . . . . 0.31 109.698 176.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.574 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 42.6 t -67.49 -35.73 79.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.706 -0.679 . . . . 1.02 109.363 174.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 54.8 tttp -65.96 -29.86 70.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.648 -0.705 . . . . 2.37 110.634 -177.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.66 -50.81 19.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.301 0.572 . . . . 0.31 110.295 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -59.94 -46.21 90.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.284 -0.871 . . . . 0.81 111.399 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -65.03 -25.18 67.73 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.237 0.541 . . . . 3.27 110.834 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.803 ' HD2' HD11 ' A' ' 57' ' ' LEU . 30.9 mtmm -69.78 -16.08 63.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.865 -0.607 . . . . 2.9 111.669 172.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.3 p -84.77 -27.66 26.74 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.088 -0.645 . . . . 0.58 109.765 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -61.33 -41.75 97.55 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.212 0.529 . . . . 1.0 110.068 172.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 p -123.06 89.76 50.63 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.797 -0.638 . . . . 1.4 109.484 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.24 145.93 25.35 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.4 2.734 . . . . 1.01 113.051 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.803 HD11 ' HD2' ' A' ' 52' ' ' LYS . 2.2 mm? -67.96 -19.33 64.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.392 -0.822 . . . . 2.15 111.272 -176.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.0 mttp . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.711 -0.661 . . . . 3.7 109.677 175.864 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.475 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.684 -0.487 . . . . 5.09 109.684 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 49.3 Cg_exo -56.3 -35.98 96.46 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.818 3.012 . . . . 1.85 113.701 -170.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 44' ' ' PRO . 91.1 m-85 -128.51 126.02 39.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.764 -0.458 . . . . 1.69 109.764 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.55 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 49.9 m -136.3 126.64 26.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.179 0.514 . . . . 1.39 111.413 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.8 t -80.69 82.51 6.68 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.742 -0.836 . . . . 0.93 108.742 173.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -55.35 -23.34 23.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 4.92 111.944 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.616 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 2.2 mm-40 -59.31 -38.13 79.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.457 -0.338 . . . . 2.64 110.896 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.6 p -127.85 1.42 6.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.104 0.478 . . . . 0.89 111.383 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.4 t 71.2 25.24 3.64 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.287 -0.87 . . . . 1.35 111.891 176.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -100.87 120.78 40.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.687 0.28 . . . . 2.95 110.57 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -95.84 158.99 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.914 0.387 . . . . 0.46 111.681 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -139.78 156.59 46.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.83 -0.623 . . . . 0.96 110.545 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.1 m -104.64 -4.42 22.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.902 -0.59 . . . . 1.65 109.879 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.459 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 14.4 m-20 -117.38 122.6 30.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.713 -0.676 . . . . 1.54 110.015 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 19.6 Cg_endo -60.22 -33.76 94.52 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.29 2.66 . . . . 0.52 113.335 -177.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.01 -25.83 24.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.35 110.208 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -67.51 -39.04 85.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.141 -0.689 . . . . 0.31 109.141 174.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 39.9 t -68.18 -37.1 80.6 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.153 -0.931 . . . . 1.02 109.892 173.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -65.96 -39.05 90.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.183 0.516 . . . . 2.37 110.587 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 53' ' ' THR . . . -69.62 -41.05 76.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.767 -0.651 . . . . 0.31 109.602 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -64.51 -43.27 94.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.801 -1.091 . . . . 0.81 111.07 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 44.1 mt-10 -58.26 -39.42 79.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.346 0.593 . . . . 3.27 110.301 176.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HB3' HD21 ' A' ' 57' ' ' LEU . 32.3 mmmt -83.24 9.91 9.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.691 -0.686 . . . . 2.9 112.534 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 49' ' ' ALA . 69.8 p -96.72 -24.51 15.92 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.689 -0.856 . . . . 0.58 108.689 166.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.616 ' CE1' ' HB2' ' A' ' 36' ' ' GLU . 11.0 m-70 -74.09 -36.91 64.3 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 108.816 -0.809 . . . . 1.0 108.816 169.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.0 t -107.33 86.35 2.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 114.992 -1.003 . . . . 1.4 109.0 172.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 54' ' ' HIS . 73.2 Cg_exo -51.82 138.2 51.13 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.304 2.669 . . . . 1.01 113.222 -173.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 52' ' ' LYS . 28.4 mt -65.85 -33.28 75.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.054 -0.975 . . . . 2.15 110.822 -178.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 58' ' ' LYS . 8.0 mtpm? . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.629 -0.7 . . . . 3.7 109.978 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 1.037 ' HG3' ' HA ' ' A' ' 42' ' ' SER . 73.9 mmtt . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 110.021 -0.363 . . . . 5.09 110.021 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.83 19.35 1.14 Allowed 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 123.0 2.467 . . . . 1.85 113.132 -177.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -103.67 106.02 16.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.74 -0.467 . . . . 1.69 109.74 -178.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.3 m -124.66 131.7 53.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.388 0.613 . . . . 1.39 111.375 -175.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.436 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 1.9 t -94.57 82.02 3.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.183 -0.917 . . . . 0.93 108.875 178.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -46.3 -43.05 15.47 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.939 0.718 . . . . 4.92 112.939 -173.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.521 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 12.6 mm-40 -61.97 -30.52 70.98 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.4 0.519 . . . . 2.64 112.4 -173.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 14.6 p -124.28 6.11 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.285 -0.566 . . . . 0.89 111.231 -174.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.5 p 54.66 33.01 18.38 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.825 1.25 . . . . 1.35 113.596 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 5.8 tmtt? -101.34 157.52 16.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.475 -0.565 . . . . 2.95 109.475 174.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.18 149.53 46.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.679 0.276 . . . . 0.46 110.743 176.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' A' ' 34' ' ' CYS . 59.1 m-85 -113.76 137.42 51.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.362 -0.381 . . . . 0.96 110.976 -175.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 1.037 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 19.1 p -90.21 -7.89 52.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.906 -0.588 . . . . 1.65 110.722 176.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 30.7 m-20 -123.94 133.86 24.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.036 -0.529 . . . . 1.54 110.612 -178.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 21.1 Cg_exo -66.07 -28.98 48.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.244 2.629 . . . . 0.52 112.745 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.04 -24.46 26.36 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.027 0.441 . . . . 0.35 109.93 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.98 -38.87 92.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.736 -0.665 . . . . 0.31 109.754 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 47.3 t -67.08 -40.3 86.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.701 -0.682 . . . . 1.02 109.673 173.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 84.0 tttt -63.41 -49.85 72.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.533 -0.758 . . . . 2.37 110.701 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.66 -33.69 76.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.45 -0.796 . . . . 0.31 110.425 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -78.24 -28.33 47.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.658 -0.701 . . . . 0.81 110.752 -177.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 37.6 mt-10 -56.41 -35.81 68.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.749 0.785 . . . . 3.27 109.195 169.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 62.1 mmtt -82.59 -7.47 59.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.773 -1.103 . . . . 2.9 111.591 -177.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.2 p -99.65 -32.74 10.92 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.756 -0.378 . . . . 0.58 111.1 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 36' ' ' GLU . 3.0 m-70 -72.08 -35.81 69.35 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.28 0.562 . . . . 1.0 109.559 173.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.3 t -119.43 88.41 38.25 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.307 -0.997 . . . . 1.4 108.307 170.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.465 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 18.0 Cg_exo -66.97 140.08 53.49 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 123.224 2.616 . . . . 1.01 113.846 -170.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -110.49 -41.83 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.181 -0.918 . . . . 2.15 108.795 172.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp . . . . . 0 C--O 1.245 0.824 0 CA-C-N 115.004 -0.998 . . . . 3.7 109.845 175.124 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HB2' ' OG ' ' A' ' 33' ' ' SER . 61.7 mttp . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 109.458 -0.571 . . . . 5.09 109.458 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.497 ' HG2' ' HA ' ' A' ' 42' ' ' SER . 18.3 Cg_endo -58.58 -41.26 66.22 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.6 2.866 . . . . 1.85 113.406 -170.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.467 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 95.6 m-85 -119.14 72.52 0.9 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.473 0.654 . . . . 1.69 110.714 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.415 ' OG ' ' HB2' ' A' ' 30' ' ' LYS . 62.2 m -84.63 100.83 11.69 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.047 -0.979 . . . . 1.39 110.174 177.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.47 ' SG ' ' HB3' ' A' ' 36' ' ' GLU . 47.5 t -97.22 108.1 20.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.055 -0.52 . . . . 0.93 110.453 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 35' ' ' ARG . 39.1 mtm180 -79.25 -14.04 59.29 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.882 -0.327 . . . . 4.92 111.13 -179.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 9.3 tp10 -61.32 -43.59 98.62 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.216 0.531 . . . . 2.64 110.885 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 25.4 p -113.59 0.19 14.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.833 -0.621 . . . . 0.89 110.088 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 m 68.2 11.25 8.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.233 -0.894 . . . . 1.35 111.749 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 62.2 mttp -102.75 142.43 33.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.356 -0.383 . . . . 2.95 110.646 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.22 128.42 52.41 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.213 -0.449 . . . . 0.46 110.445 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.544 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 79.4 m-85 -113.31 154.04 27.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.34 -0.391 . . . . 0.96 110.468 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.497 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -111.09 -5.25 14.81 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.942 -0.572 . . . . 1.65 109.662 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.471 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 7.7 m-20 -106.02 120.24 49.59 Favored Pre-proline 0 C--O 1.234 0.265 0 CA-C-N 115.751 -0.659 . . . . 1.54 109.503 178.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 52.6 Cg_exo -55.99 -34.89 93.5 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.663 2.909 . . . . 0.52 113.582 -174.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.2 -23.8 21.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.874 0.369 . . . . 0.35 110.902 -176.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -71.98 -40.86 68.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.713 -0.477 . . . . 0.31 109.713 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 51.9 t -69.61 -34.21 73.76 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.784 -0.644 . . . . 1.02 109.6 173.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.672 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 47.9 tttp -64.92 -50.3 67.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.962 -0.563 . . . . 2.37 109.966 -177.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 53' ' ' THR . . . -62.04 -42.6 99.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.347 0.594 . . . . 0.31 110.252 -178.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -62.77 -48.08 80.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.073 -0.967 . . . . 0.81 111.278 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 56.7 mm-40 -67.54 -32.37 73.1 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.924 0.392 . . . . 3.27 111.381 -177.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 32.6 mmmt -55.97 -37.23 68.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.057 -0.52 . . . . 2.9 110.796 172.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 49' ' ' ALA . 28.9 p -78.02 -24.63 47.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.602 -0.272 . . . . 0.58 111.463 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -58.82 -43.02 90.53 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.171 0.51 . . . . 1.0 110.396 176.158 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 t -113.44 78.07 3.4 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 107.786 -1.19 . . . . 1.4 107.786 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.94 119.45 6.62 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.775 2.317 . . . . 1.01 112.714 -168.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 57' ' ' LEU . 2.2 mm? -81.93 -42.48 19.42 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.333 -0.988 . . . . 2.15 108.333 174.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' A' ' 58' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.244 0.788 0 CA-C-N 114.952 -1.022 . . . . 3.7 109.944 173.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.3 pttm . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.91 0.386 . . . . 5.09 110.772 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.85 -27.35 5.99 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.658 2.239 . . . . 1.85 112.336 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -136.82 148.43 47.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.488 -0.56 . . . . 1.69 109.488 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.557 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 10.4 t -148.45 154.5 39.96 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.238 0.542 . . . . 1.39 110.655 -178.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.7 t -104.8 103.55 13.18 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.96 -0.756 . . . . 0.93 108.96 176.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -59.72 -44.46 93.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.571 -0.74 . . . . 4.92 111.387 -172.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.31 -37.37 85.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.275 -0.875 . . . . 2.64 113.279 -172.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.4 p -115.32 -3.08 12.5 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.574 -0.85 . . . . 0.89 111.852 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t 72.41 21.12 3.81 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.585 0.754 . . . . 1.35 112.509 172.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -101.41 137.95 39.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.119 -0.363 . . . . 2.95 110.029 175.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -108.03 159.39 16.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.991 0.424 . . . . 0.46 111.867 -176.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.61 147.84 45.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.681 -0.69 . . . . 0.96 110.604 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.8 p -96.35 -8.48 32.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.982 -0.554 . . . . 1.65 110.698 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.447 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 9.7 m-20 -113.53 128.72 25.38 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 1.54 110.52 -177.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 24.5 Cg_exo -63.13 -35.12 66.41 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.464 2.776 . . . . 0.52 113.162 -176.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.84 -21.47 23.69 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.935 0.398 . . . . 0.35 110.104 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -69.12 -39.05 79.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.259 -0.645 . . . . 0.31 109.259 173.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 45.1 t -68.43 -38.88 81.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.526 -0.761 . . . . 1.02 109.763 174.014 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -64.12 -43.4 95.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.043 0.449 . . . . 2.37 110.465 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 52' ' ' LYS . . . -69.09 -32.18 71.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.517 0.675 . . . . 0.31 110.208 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -69.7 -39.39 76.94 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.061 -0.972 . . . . 0.81 110.264 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 46.0 mt-10 -64.79 -24.62 67.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.543 0.687 . . . . 3.27 110.313 176.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 29.4 mmtp -72.85 -21.32 60.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.188 -0.914 . . . . 2.9 111.176 175.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.6 p -87.7 -29.14 21.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.369 -0.532 . . . . 0.58 111.335 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -75.51 -17.99 59.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.333 0.587 . . . . 1.0 109.95 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 m -118.61 76.19 13.28 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.631 -0.878 . . . . 1.4 108.631 169.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.8 119.65 6.99 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 122.682 2.255 . . . . 1.01 112.716 -171.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.47 ' HB2' ' HD2' ' A' ' 58' ' ' LYS . 1.9 mm? -88.65 -34.48 17.23 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.226 -0.657 . . . . 2.15 109.226 176.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.244 0.799 0 CA-C-O 118.208 -0.901 . . . . 3.7 109.717 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.454 ' HD3' ' CB ' ' A' ' 40' ' ' ALA . 60.4 mttp . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.55 -0.537 . . . . 5.09 109.55 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.574 ' HG2' ' HA ' ' A' ' 42' ' ' SER . 57.5 Cg_exo -52.74 -43.12 58.32 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.817 3.011 . . . . 1.85 113.014 -175.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -130.8 129.87 42.96 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.931 -0.766 . . . . 1.69 108.931 174.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.7 m -126.45 98.83 5.58 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.227 -0.442 . . . . 1.39 110.477 -177.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.4 t -77.2 89.05 3.66 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.643 -0.873 . . . . 0.93 108.643 174.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -74.59 -6.46 48.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.204 -0.453 . . . . 4.92 110.582 -175.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.39 -47.35 76.64 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.841 -0.618 . . . . 2.64 110.495 173.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 21.7 p -107.6 -2.8 19.92 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.33 0.586 . . . . 0.89 110.185 177.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 t 68.51 19.23 8.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.626 -1.17 . . . . 1.35 111.008 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.517 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 64.3 mttp -101.34 121.03 41.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.913 -0.403 . . . . 2.95 109.913 176.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' CB ' ' HD3' ' A' ' 30' ' ' LYS . . . -105.51 149.6 26.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.138 -0.483 . . . . 0.46 110.597 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.59 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 96.1 m-85 -137.94 148.13 44.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.96 110.636 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.574 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 39.1 p -88.11 -15.0 37.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.641 -0.709 . . . . 1.65 110.956 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 45.1 m-20 -107.63 118.68 52.63 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.398 -0.365 . . . . 1.54 110.025 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 31.4 Cg_exo -59.9 -28.65 87.65 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 123.547 2.831 . . . . 0.52 113.718 -176.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.64 -22.53 21.15 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.524 -0.47 . . . . 0.35 110.585 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 43' ' ' ASP . . . -69.36 -43.44 73.6 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.045 -0.525 . . . . 0.31 109.629 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.59 ' HB3' ' HB2' ' A' ' 41' ' ' PHE . 7.4 p -71.26 -29.13 64.71 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.754 -0.657 . . . . 1.02 110.143 175.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 1.5 tmtp? -66.31 -43.43 86.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.899 -0.592 . . . . 2.37 109.621 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.81 -34.45 77.83 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.475 0.655 . . . . 0.31 110.047 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -68.35 -42.0 79.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.282 -0.872 . . . . 0.81 110.998 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 28.7 mm-40 -67.05 -24.86 66.03 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.475 0.655 . . . . 3.27 110.386 178.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 33.9 mtpt -71.56 -14.81 62.2 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.426 -0.806 . . . . 2.9 111.37 172.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.5 p -87.08 -20.9 26.45 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 119.827 -0.749 . . . . 0.58 109.655 173.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.512 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 31.3 m-70 -62.05 -34.26 75.92 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 109.185 -0.672 . . . . 1.0 109.185 169.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.8 p -115.85 79.72 8.17 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.401 -0.818 . . . . 1.4 109.691 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -45.69 131.91 13.11 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 124.224 3.282 . . . . 1.01 113.951 -170.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 mp -75.73 -41.59 52.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.382 -0.826 . . . . 2.15 109.344 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.379 -0.819 . . . . 3.7 109.774 171.695 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 57.9 mttp . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 109.961 -0.385 . . . . 5.09 109.961 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 12.2 Cg_exo -70.89 -16.52 32.8 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.215 2.61 . . . . 1.85 113.288 -173.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -117.47 81.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.277 0.561 . . . . 1.69 110.82 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.1 t -100.95 99.07 9.48 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.523 -0.762 . . . . 1.39 109.964 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 43.2 t -78.65 107.65 11.49 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.214 -0.661 . . . . 0.93 109.214 176.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -71.72 -32.08 67.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.554 -0.294 . . . . 4.92 111.017 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -57.54 -50.19 73.9 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.948 -0.569 . . . . 2.64 112.002 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.7 p -101.84 -4.18 26.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.361 0.6 . . . . 0.89 110.044 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.1 m 67.53 15.46 9.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.755 -1.112 . . . . 1.35 111.963 177.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -100.8 119.71 39.05 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.82 -0.437 . . . . 2.95 109.82 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.95 146.53 25.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.363 -0.38 . . . . 0.46 110.416 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.553 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 61.2 m-85 -128.14 155.2 44.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.249 -0.432 . . . . 0.96 110.51 177.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 p -106.38 -4.56 19.82 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.833 -0.621 . . . . 1.65 110.234 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.465 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 39.9 m-20 -106.6 116.61 58.68 Favored Pre-proline 0 N--CA 1.451 -0.407 0 N-CA-C 109.272 -0.64 . . . . 1.54 109.272 177.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.85 -34.21 90.77 Favored 'Trans proline' 0 CA--C 1.52 -0.177 0 C-N-CA 123.578 2.852 . . . . 0.52 113.682 -174.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.521 ' HA ' ' HB3' ' A' ' 48' ' ' LYS . . . -90.36 -21.74 21.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.35 110.765 -176.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -70.53 -42.72 70.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.324 0.583 . . . . 0.31 109.513 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.553 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 42.5 t -68.83 -34.64 75.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.45 -0.796 . . . . 1.02 109.558 173.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.521 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 1.8 tmtp? -66.91 -45.12 78.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.951 -0.568 . . . . 2.37 110.588 -177.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.68 -43.32 84.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.26 0.552 . . . . 0.31 110.189 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -62.05 -43.18 99.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.125 -0.943 . . . . 0.81 111.507 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 49.8 mm-40 -68.96 -28.92 67.06 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.239 0.542 . . . . 3.27 111.408 -178.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HE2' HD11 ' A' ' 57' ' ' LEU . 58.0 mtpt -70.23 -14.73 62.75 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.781 -0.645 . . . . 2.9 111.555 174.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.6 p -90.64 -19.73 23.32 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.384 -0.526 . . . . 0.58 110.33 172.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.518 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 8.9 m-70 -60.69 -40.98 94.19 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.213 0.53 . . . . 1.0 109.786 170.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -102.59 90.32 2.16 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.289 -0.868 . . . . 1.4 109.052 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -50.63 118.94 4.54 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.177 2.585 . . . . 1.01 112.758 -170.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.575 HD11 ' HE2' ' A' ' 52' ' ' LYS . 85.4 mt -76.57 -40.25 50.22 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.037 -0.983 . . . . 2.15 110.84 -178.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' NZ ' ' HB2' ' A' ' 58' ' ' LYS . 9.6 mtmp? . . . . . 0 C--O 1.25 1.128 0 CA-C-N 114.945 -1.025 . . . . 3.7 110.37 176.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.8 mttt . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.915 0.388 . . . . 5.09 109.978 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -61.51 -43.01 29.63 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.165 2.577 . . . . 1.85 112.906 -174.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -105.41 110.13 22.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.364 -0.606 . . . . 1.69 109.364 -176.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -131.26 118.84 20.95 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.972 0.415 . . . . 1.39 111.059 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.523 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 0.5 OUTLIER -77.49 85.09 3.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.269 -1.012 . . . . 0.93 108.269 172.672 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -49.85 -45.89 50.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.964 -1.017 . . . . 4.92 113.473 -170.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.818 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 1.4 pm0 -71.28 -18.22 62.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.767 0.655 . . . . 2.64 112.767 -172.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.818 ' SG ' ' HG2' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -137.77 23.82 2.87 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.128 0.418 . . . . 0.89 112.128 -174.844 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 p 48.54 28.06 1.64 Allowed 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.439 1.274 . . . . 1.35 114.439 170.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 37' ' ' CYS . 42.4 mmtm -102.69 103.18 13.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.037 -0.414 . . . . 2.95 111.26 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.05 152.24 18.5 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.993 -0.283 . . . . 0.46 110.612 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -135.04 157.0 48.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.126 -0.488 . . . . 0.96 110.625 -178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.6 t -108.12 -10.73 15.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.612 -0.722 . . . . 1.65 109.188 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 12.9 m-20 -102.77 118.95 57.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.436 -0.802 . . . . 1.54 109.893 178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.97 -32.86 94.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 123.035 2.49 . . . . 0.52 112.801 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.18 -23.48 30.55 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.209 0.528 . . . . 0.35 110.329 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 43' ' ' ASP . . . -69.37 -43.4 73.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.7 -0.682 . . . . 0.31 109.561 175.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.0 t -72.12 -24.28 61.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.678 -0.692 . . . . 1.02 109.627 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -69.73 -47.78 61.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.054 -0.521 . . . . 2.37 110.005 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.86 -39.57 79.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.753 -0.658 . . . . 0.31 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.523 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 17.2 t60 -65.4 -33.08 75.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.767 -0.651 . . . . 0.81 110.282 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -66.95 -32.27 73.4 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.011 0.434 . . . . 3.27 110.204 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' HD2' HD11 ' A' ' 57' ' ' LEU . 74.5 mmtt -71.15 -25.4 62.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.021 -0.536 . . . . 2.9 110.932 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.2 p -84.2 -8.6 59.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.962 0.41 . . . . 0.58 111.144 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -102.36 8.7 40.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.552 0.691 . . . . 1.0 109.575 170.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.1 m -149.83 69.12 9.19 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.145 -0.934 . . . . 1.4 108.676 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -53.75 119.48 6.32 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.28 2.654 . . . . 1.01 113.297 -171.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.492 HD11 ' HD2' ' A' ' 52' ' ' LYS . 5.9 mp -72.2 -41.58 66.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.379 -0.828 . . . . 2.15 109.431 177.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.248 0.982 0 CA-C-N 115.389 -0.823 . . . . 3.7 109.413 174.219 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 mttp . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 110.164 -0.31 . . . . 5.09 110.164 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.489 ' O ' ' HB1' ' A' ' 40' ' ' ALA . 61.2 Cg_endo -74.02 -21.55 18.14 Favored 'Trans proline' 0 N--CA 1.466 -0.117 0 C-N-CA 122.471 2.114 . . . . 1.85 112.223 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.444 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 77.0 m-85 53.87 63.47 2.18 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.746 0.784 . . . . 1.69 110.592 -178.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -76.02 99.84 4.72 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.442 -1.253 . . . . 1.39 110.831 -178.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.5 t -72.38 124.31 24.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.78 -0.645 . . . . 0.93 110.38 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 35' ' ' ARG . 1.7 ptm180 -77.01 -20.43 56.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.355 -0.384 . . . . 4.92 111.902 -176.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.495 ' HG2' ' CD2' ' A' ' 54' ' ' HIS . 8.9 tp10 -73.94 -50.45 19.99 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 120.62 0.248 . . . . 2.64 111.342 -175.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 39' ' ' LYS . 28.3 p -104.34 -1.98 26.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.09 0.472 . . . . 0.89 110.593 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.5 m 66.08 11.72 7.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.037 -0.983 . . . . 1.35 111.179 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 56.2 tptt -101.08 131.97 46.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 2.95 110.374 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 31' ' ' PRO . . . -101.92 145.65 28.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.555 -0.293 . . . . 0.46 110.4 176.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.559 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 56.1 m-85 -128.99 122.39 29.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.373 -0.376 . . . . 0.96 110.575 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 p -78.5 11.8 2.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.13 -0.486 . . . . 1.65 111.485 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.524 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 26.9 m-20 -125.98 112.02 24.42 Favored Pre-proline 0 N--CA 1.453 -0.307 0 N-CA-C 109.233 -0.655 . . . . 1.54 109.233 176.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.37 -29.01 82.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.981 2.454 . . . . 0.52 113.386 -175.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.29 -25.53 20.48 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.812 -0.355 . . . . 0.35 110.693 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -71.42 -41.48 69.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.335 -0.617 . . . . 0.31 109.335 176.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.559 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 36.3 t -66.13 -33.27 75.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.111 -0.949 . . . . 1.02 109.166 174.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 48' ' ' LYS . 35.2 ttpt -63.64 -48.76 75.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 2.37 110.407 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 53' ' ' THR . . . -65.59 -41.28 92.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.454 0.645 . . . . 0.31 110.433 -178.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -64.97 -45.42 85.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.233 -0.894 . . . . 0.81 111.152 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -66.1 -32.73 74.36 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.107 0.479 . . . . 3.27 111.19 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' HB3' HD13 ' A' ' 57' ' ' LEU . 31.3 mmtp -66.13 -16.26 63.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.99 -0.55 . . . . 2.9 111.752 175.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 49' ' ' ALA . 35.2 p -92.19 -20.39 21.25 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.285 -0.566 . . . . 0.58 110.799 176.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.495 ' CD2' ' HG2' ' A' ' 36' ' ' GLU . 2.1 m-70 -62.61 -41.76 99.18 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.357 0.599 . . . . 1.0 109.572 171.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -112.36 91.26 16.04 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 114.96 -1.018 . . . . 1.4 108.654 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -34.4 120.71 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 124.698 3.599 . . . . 1.01 114.508 -171.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.472 HD13 ' HB3' ' A' ' 52' ' ' LYS . 3.6 tp -74.49 -40.6 61.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.706 0.765 . . . . 2.15 109.732 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? . . . . . 0 C--O 1.251 1.157 0 CA-C-N 114.815 -1.084 . . . . 3.7 109.687 175.939 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 110.054 -0.35 . . . . 5.09 110.054 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.88 -22.8 48.32 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.895 2.396 . . . . 1.85 112.617 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -125.04 140.03 53.27 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.732 -0.47 . . . . 1.69 109.732 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.9 m -146.07 128.48 15.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.122 0.487 . . . . 1.39 110.877 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.1 t -74.98 104.02 5.41 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.736 -0.839 . . . . 0.93 108.736 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 35' ' ' ARG . 41.0 mtp180 -62.43 -40.56 96.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.298 -0.41 . . . . 4.92 112.085 -171.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 2.0 pm0 -64.04 -50.23 69.24 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.605 0.594 . . . . 2.64 112.605 -175.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.9 p -104.96 -6.29 20.23 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 119.973 -0.691 . . . . 0.89 111.368 -173.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m 69.42 31.49 3.79 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.159 -0.928 . . . . 1.35 112.421 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -100.13 135.14 42.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.113 -0.699 . . . . 2.95 109.113 173.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.09 154.78 30.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.209 0.528 . . . . 0.46 112.184 -173.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -142.82 158.52 43.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.345 -0.843 . . . . 0.96 109.588 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.0 m -109.89 -5.06 15.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.133 0.492 . . . . 1.65 110.361 175.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.05 120.53 51.99 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 1.54 110.534 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.91 -26.25 82.8 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 123.413 2.742 . . . . 0.52 112.969 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.0 -26.71 22.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.258 0.551 . . . . 0.35 110.264 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.89 -40.88 78.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.718 -0.674 . . . . 0.31 109.349 175.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -73.05 -22.81 60.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.597 -0.728 . . . . 1.02 109.83 175.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 31.7 tttp -70.11 -45.79 66.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.599 -0.728 . . . . 2.37 109.526 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.32 69.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.75 -0.659 . . . . 0.31 110.107 176.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -65.8 -36.2 82.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.334 -0.848 . . . . 0.81 110.132 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 48' ' ' LYS . 6.3 tp10 -60.55 -33.77 73.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.679 -0.692 . . . . 3.27 110.189 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 99.7 mttt -75.63 -15.0 60.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.439 -0.801 . . . . 2.9 111.701 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.5 p -92.78 -29.01 16.22 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.813 -0.355 . . . . 0.58 111.253 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -84.32 -28.18 27.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.106 0.479 . . . . 1.0 109.817 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.7 t -120.53 78.93 29.17 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 108.205 -1.035 . . . . 1.4 108.205 169.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.508 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 26.9 Cg_exo -61.48 119.32 6.4 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.864 2.376 . . . . 1.01 112.999 -171.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.77 -12.18 58.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.51 0.671 . . . . 2.15 109.331 173.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.331 -0.849 . . . . 3.7 109.764 178.588 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 74.1 mmtt . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 109.958 -0.386 . . . . 5.09 109.958 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -70.09 -25.16 27.38 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.473 2.115 . . . . 1.85 112.554 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -108.61 81.0 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.363 -0.606 . . . . 1.69 109.363 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 p -105.11 117.2 33.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.947 -0.57 . . . . 1.39 111.458 -175.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' A' ' 36' ' ' GLU . 28.8 t -80.06 85.72 5.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.669 -0.863 . . . . 0.93 108.669 175.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.471 ' NE ' ' HA ' ' A' ' 35' ' ' ARG . 2.6 tpm_? -58.08 -29.66 65.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.454 -0.794 . . . . 4.92 111.871 -173.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HG2' ' SG ' ' A' ' 34' ' ' CYS . 1.6 pm0 -68.43 -32.69 72.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.022 0.749 . . . . 2.64 113.022 -175.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.5 p -119.56 -0.4 10.84 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 119.86 -0.736 . . . . 0.89 111.853 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.1 t 78.69 7.08 2.27 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.547 -0.751 . . . . 1.35 112.711 172.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -97.75 134.68 40.59 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.89 -0.506 . . . . 2.95 110.644 176.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.476 ' HB1' ' HB3' ' A' ' 30' ' ' LYS . . . -125.9 151.5 46.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.406 -0.361 . . . . 0.46 111.399 -178.284 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -131.73 166.08 22.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.076 -0.511 . . . . 0.96 110.071 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t -110.17 -1.23 17.52 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.081 -0.711 . . . . 1.65 109.081 174.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.597 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 7.5 m-20 -99.53 115.53 65.58 Favored Pre-proline 0 N--CA 1.451 -0.421 0 CA-C-N 115.705 -0.68 . . . . 1.54 109.326 178.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.0 -29.78 90.09 Favored 'Trans proline' 0 N--CA 1.466 -0.11 0 C-N-CA 122.933 2.422 . . . . 0.52 112.856 -177.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.39 -25.65 20.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.954 0.406 . . . . 0.35 110.413 -177.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.597 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -70.72 -37.22 73.51 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.068 -0.716 . . . . 0.31 109.068 176.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.96 -26.46 59.61 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.02 -0.991 . . . . 1.02 109.828 174.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -70.23 -40.69 74.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.127 0.489 . . . . 2.37 110.019 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.455 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . . . -70.81 -28.26 64.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.643 0.735 . . . . 0.31 110.039 175.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -75.9 -29.52 58.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.887 -1.051 . . . . 0.81 110.151 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -70.81 -42.96 69.58 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.496 -0.774 . . . . 3.27 110.336 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.483 ' HB2' HD21 ' A' ' 57' ' ' LEU . 19.2 ptpt -76.44 -5.01 45.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.172 -0.467 . . . . 2.9 111.297 -177.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.5 p -94.02 -21.33 19.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.207 -0.308 . . . . 0.58 110.75 173.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -86.02 -40.79 15.43 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.178 0.513 . . . . 1.0 109.782 169.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.8 m -106.94 84.75 1.65 Allowed Pre-proline 0 N--CA 1.448 -0.553 0 CA-C-N 115.491 -0.777 . . . . 1.4 109.141 171.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.06 155.75 69.42 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.582 2.188 . . . . 1.01 112.541 -173.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.483 HD21 ' HB2' ' A' ' 52' ' ' LYS . 2.8 mm? -93.13 1.85 56.97 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.382 -0.826 . . . . 2.15 109.253 177.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm . . . . . 0 C--O 1.248 0.991 0 CA-C-N 115.202 -0.908 . . . . 3.7 109.134 175.173 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.087 0.47 . . . . 5.09 110.183 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.515 ' HD2' ' HA ' ' A' ' 42' ' ' SER . 55.2 Cg_endo -69.72 -27.93 26.05 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.628 2.219 . . . . 1.85 113.251 -174.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -127.9 102.31 6.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.889 0.376 . . . . 1.69 111.22 -176.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.9 m -105.38 117.14 33.26 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.96 -0.564 . . . . 1.39 110.193 175.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.3 t -76.79 92.48 3.59 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.458 -0.571 . . . . 0.93 109.458 176.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -62.81 -20.36 64.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 4.92 110.937 -175.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -63.15 -34.95 78.72 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.811 -0.631 . . . . 2.64 111.466 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.3 p -134.11 5.86 3.59 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.757 -0.377 . . . . 0.89 111.798 -176.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 t 74.65 0.89 3.68 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.56 0.744 . . . . 1.35 112.139 174.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.44 ' HD2' ' HE1' ' A' ' 50' ' ' HIS . 4.7 ttmp? -90.24 127.52 36.16 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.003 -0.436 . . . . 2.95 110.623 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.38 160.3 16.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.854 0.359 . . . . 0.46 111.353 -178.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -141.69 154.47 45.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 0.96 110.7 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.515 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 10.0 t -97.24 -11.63 23.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.7 -0.682 . . . . 1.65 109.55 176.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.437 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 5.3 m-20 -97.62 118.74 63.85 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.886 -0.597 . . . . 1.54 110.421 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.469 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 34.7 Cg_exo -60.59 -29.29 88.19 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 123.163 2.575 . . . . 0.52 113.102 -178.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.12 -22.55 22.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.126 0.489 . . . . 0.35 110.184 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -71.17 -41.05 70.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.862 -0.608 . . . . 0.31 109.845 176.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.94 -23.04 58.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.316 0.579 . . . . 1.02 109.697 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 79.9 tttt -71.68 -47.43 54.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.409 -0.814 . . . . 2.37 109.706 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.23 -24.57 61.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.514 0.673 . . . . 0.31 109.857 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.44 ' HE1' ' HD2' ' A' ' 39' ' ' LYS . 30.2 t60 -63.89 -36.5 84.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.976 -1.011 . . . . 0.81 110.241 176.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -68.05 -38.77 82.84 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.082 0.468 . . . . 3.27 109.884 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.476 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 46.5 mttp -62.5 -24.84 67.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.798 -0.637 . . . . 2.9 111.504 177.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.4 p -88.14 -14.75 37.92 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.737 -0.385 . . . . 0.58 111.855 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -83.37 -39.75 20.29 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.735 -0.469 . . . . 1.0 109.735 172.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -118.25 82.22 18.1 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.423 -0.954 . . . . 1.4 108.423 173.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 24.0 Cg_exo -62.97 124.88 14.77 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.273 2.649 . . . . 1.01 113.449 -169.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.429 HD13 ' HG2' ' A' ' 52' ' ' LYS . 6.2 mp -89.84 -41.19 11.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.917 -0.583 . . . . 2.15 109.88 177.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt . . . . . 0 C--O 1.252 1.191 0 CA-C-N 115.557 -0.747 . . . . 3.7 109.496 177.008 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 109.514 -0.55 . . . . 1.69 109.514 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.571 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 20.5 t -128.91 130.58 46.99 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.806 0.336 . . . . 1.39 110.507 -179.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 43.2 t -73.9 108.05 6.49 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.53 -0.545 . . . . 0.93 109.53 174.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -66.12 -33.28 75.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.956 -0.565 . . . . 4.92 111.102 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -53.88 30.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.35 0.595 . . . . 2.64 111.498 -174.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.57 12.8 15.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.349 -0.841 . . . . 0.89 111.992 -172.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.5 p 56.86 31.82 20.32 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 114.597 -1.183 . . . . 1.35 113.604 173.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -101.56 107.91 19.32 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.931 -0.396 . . . . 2.95 109.931 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.571 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -92.8 156.83 16.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.904 0.383 . . . . 0.46 111.631 -177.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -136.26 159.61 41.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.805 -0.634 . . . . 0.96 111.006 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.6 m -107.69 -8.92 15.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.172 -0.922 . . . . 1.65 109.596 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.615 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 7.1 t70 -100.76 125.38 38.89 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.461 -0.79 . . . . 1.54 109.61 176.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.02 -21.38 56.56 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.608 2.205 . . . . 0.52 112.171 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.1 -33.54 14.72 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.641 0.257 . . . . 0.35 110.347 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.615 ' CB ' ' HB3' ' A' ' 43' ' ' ASP . . . -59.67 -43.73 93.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.193 0.52 . . . . 0.31 109.768 175.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.4 t -69.9 -28.6 65.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.472 -0.785 . . . . 1.02 110.385 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 16.8 tppt? -71.31 -41.34 70.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.422 -0.354 . . . . 2.37 110.21 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.09 68.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.462 0.648 . . . . 0.31 110.063 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -73.73 -30.37 62.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.043 -0.98 . . . . 0.81 110.238 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.23 -41.03 99.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 115.457 -0.792 . . . . 3.27 110.123 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 71.9 mmtt -77.31 -9.15 58.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.198 -0.91 . . . . 2.9 111.595 -174.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.9 p -96.55 -20.63 18.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.891 0.377 . . . . 0.58 111.093 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -86.94 -19.38 28.87 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.302 0.572 . . . . 1.0 109.638 170.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.3 m -128.59 81.9 69.72 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.36 -0.836 . . . . 1.4 109.368 173.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo . . . . . 0 C--N 1.348 0.54 0 C-N-CA 123.583 2.855 . . . . 1.01 112.968 -174.73 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 40' ' ' ALA . 96.9 m-85 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 121.178 0.513 . . . . 1.69 110.62 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.4 m -97.55 101.9 13.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.741 -0.663 . . . . 1.39 110.78 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.2 t -86.28 99.71 11.76 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.299 -0.63 . . . . 0.93 109.299 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -65.85 -21.14 66.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.298 -0.41 . . . . 4.92 111.798 -174.344 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.449 ' N ' ' HD3' ' A' ' 35' ' ' ARG . 8.4 tp10 -67.05 -47.29 71.77 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 111.91 0.337 . . . . 2.64 111.91 -175.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -104.72 -1.72 25.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.959 0.409 . . . . 0.89 110.354 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.4 t 70.82 19.12 5.97 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.206 -0.906 . . . . 1.35 111.41 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -101.67 134.72 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 2.95 110.369 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 32' ' ' PHE . . . -120.44 115.84 24.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.226 -0.443 . . . . 0.46 110.303 177.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -104.16 149.96 24.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.11 0.481 . . . . 0.96 111.015 -175.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.3 m -99.62 -9.32 23.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.621 -0.718 . . . . 1.65 109.722 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.605 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 6.1 t70 -99.44 126.64 36.86 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.687 -0.688 . . . . 1.54 109.25 175.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.453 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 24.8 Cg_endo -62.41 -26.88 76.91 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.594 2.196 . . . . 0.52 112.092 177.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . . . -91.12 -29.01 17.53 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.43 -0.35 . . . . 0.35 110.312 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.605 ' CB ' ' HB3' ' A' ' 43' ' ' ASP . . . -63.37 -38.58 91.7 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.087 -0.708 . . . . 0.31 109.087 174.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.8 t -65.54 -44.88 85.49 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 114.972 -1.013 . . . . 1.02 109.59 173.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 44' ' ' PRO . 28.8 mmtp -65.64 -43.72 88.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.579 -0.282 . . . . 2.37 111.668 -175.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.96 -50.17 67.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.268 0.556 . . . . 0.31 110.336 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -64.6 -43.04 95.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.153 -0.931 . . . . 0.81 111.616 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 54' ' ' HIS . 46.7 mm-40 -67.17 -30.3 70.23 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.603 -0.685 . . . . 3.27 111.147 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 52' ' ' LYS . 53.4 mmtt -78.07 5.59 9.67 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.797 -0.638 . . . . 2.9 112.061 173.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.7 p -99.79 -23.1 15.09 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.471 -0.566 . . . . 0.58 109.471 166.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 51' ' ' GLU . 48.6 m-70 -61.93 -41.86 98.43 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.451 -0.944 . . . . 1.0 108.451 169.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 p -115.3 81.8 8.69 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 114.751 -1.113 . . . . 1.4 108.689 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo . . . . . 0 C--N 1.343 0.287 0 C-N-CA 122.921 2.414 . . . . 1.01 112.621 -171.794 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 40' ' ' ALA . 95.3 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 121.214 0.531 . . . . 1.69 110.177 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.5 m -84.38 99.93 10.96 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.404 -0.817 . . . . 1.39 110.761 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.599 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 0.5 OUTLIER -87.64 79.95 8.12 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.727 -0.842 . . . . 0.93 108.727 177.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -69.66 -25.79 64.08 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.376 -0.829 . . . . 4.92 113.168 -166.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -24.69 62.41 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.884 -0.726 . . . . 2.64 110.991 -177.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.467 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 28.4 p -114.95 2.38 14.25 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 119.901 -0.72 . . . . 0.89 110.809 174.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.0 m 65.8 27.88 11.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.028 -0.987 . . . . 1.35 112.081 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -101.6 163.28 12.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.658 0.266 . . . . 2.95 110.529 175.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 32' ' ' PHE . . . -142.52 134.61 27.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.823 0.345 . . . . 0.46 110.096 174.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -120.19 154.98 34.05 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.341 -0.391 . . . . 0.96 110.88 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 m -110.61 -10.1 14.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.366 0.603 . . . . 1.65 109.721 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 7.0 m-20 -101.93 120.59 53.52 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.438 -0.801 . . . . 1.54 109.913 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.16 -29.69 87.43 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 123.091 2.527 . . . . 0.52 113.026 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 48' ' ' LYS . . . -88.78 -23.63 22.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.119 0.485 . . . . 0.35 110.286 -178.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -69.46 -40.95 76.82 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.347 -0.612 . . . . 0.31 109.347 175.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 50.1 t -68.59 -33.47 74.12 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.411 -0.813 . . . . 1.02 109.537 173.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 86.5 tttt -63.04 -43.13 99.51 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.674 -0.694 . . . . 2.37 110.339 -178.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.89 -42.14 70.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.606 -0.725 . . . . 0.31 110.123 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.599 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 71.0 t60 -61.74 -41.01 97.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.141 -0.936 . . . . 0.81 110.486 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 39.1 mt-10 -55.89 -37.52 68.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.135 0.493 . . . . 3.27 110.907 175.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -78.97 -2.66 41.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.755 -0.657 . . . . 2.9 112.144 -176.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.5 p -94.51 -29.34 14.97 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.549 -0.461 . . . . 0.58 109.782 171.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.503 ' NE2' ' NE2' ' A' ' 50' ' ' HIS . 67.0 m-70 -76.28 -37.61 57.31 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 174.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 m -115.05 79.0 5.9 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.292 -0.867 . . . . 1.4 109.068 172.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 54' ' ' HIS . 25.5 Cg_exo . . . . . 0 C--N 1.347 0.487 0 C-N-CA 123.074 2.516 . . . . 1.01 112.536 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 91.4 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.157 0.503 . . . . 1.69 109.797 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.3 t -114.63 107.55 15.63 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.582 -0.735 . . . . 1.39 109.891 -177.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 36' ' ' GLU . 40.4 t -89.64 94.94 10.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.751 -0.659 . . . . 0.93 109.807 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -69.39 -9.1 52.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 4.92 111.238 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 11.3 tp10 -68.21 -42.22 80.15 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 116.391 -0.368 . . . . 2.64 110.584 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.545 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 25.9 p -117.91 -3.89 11.14 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 121.002 -0.279 . . . . 0.89 111.345 -178.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.5 m 72.78 19.61 3.87 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.319 0.648 . . . . 1.35 112.181 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -100.77 149.74 23.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.172 -0.307 . . . . 2.95 110.172 175.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.53 140.94 51.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.839 0.352 . . . . 0.46 110.686 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 55.0 m-85 -132.56 156.12 47.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.153 -0.476 . . . . 0.96 109.791 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.7 m -110.06 -0.42 18.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.113 0.483 . . . . 1.65 110.157 176.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.6 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 7.2 t70 -104.36 124.74 36.24 Favored Pre-proline 0 C--O 1.235 0.334 0 N-CA-C 108.903 -0.777 . . . . 1.54 108.903 176.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.65 -24.22 77.98 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.92 2.414 . . . . 0.52 112.257 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.4 ' HA ' ' HB3' ' A' ' 48' ' ' LYS . . . -92.69 -25.33 18.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.846 0.355 . . . . 0.35 111.127 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.6 ' CB ' ' HB3' ' A' ' 43' ' ' ASP . . . -67.46 -47.66 69.46 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.139 0.495 . . . . 0.31 109.788 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 15.6 p -67.4 -34.51 77.4 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.663 -0.699 . . . . 1.02 109.459 175.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 87.0 tttt -61.76 -46.35 89.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.05 -0.523 . . . . 2.37 110.171 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.81 -42.34 90.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.201 0.525 . . . . 0.31 110.857 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.545 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 31.1 t60 -72.71 -30.77 64.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.396 -0.82 . . . . 0.81 111.93 -178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 48.9 mm-40 -78.11 -30.09 49.27 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.359 0.599 . . . . 3.27 110.391 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 30.2 mtpp -64.27 -23.88 67.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.554 -0.748 . . . . 2.9 110.902 172.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.4 p -90.31 -10.39 44.3 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.86 -0.336 . . . . 0.58 110.769 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.521 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 5.5 m-70 -67.4 -42.28 83.56 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.232 0.539 . . . . 1.0 109.555 170.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.4 t -127.58 98.54 28.38 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.406 -0.815 . . . . 1.4 109.111 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo . . . . . 0 C--O 1.234 0.304 0 C-N-CA 122.771 2.314 . . . . 1.01 112.397 -177.09 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 110.039 -0.356 . . . . 1.69 110.039 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 57.6 m -147.52 120.72 8.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.067 -0.515 . . . . 1.39 110.611 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 0.5 OUTLIER -76.39 95.83 3.89 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.79 -1.189 . . . . 0.93 107.79 173.192 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -79.42 0.05 30.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.064 0.764 . . . . 4.92 113.064 -164.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -109.3 -22.92 11.83 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.484 -0.486 . . . . 2.64 111.23 -179.044 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.441 ' HB3' ' HE1' ' A' ' 54' ' ' HIS . 14.6 p -109.59 -9.67 14.87 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 120.523 -0.471 . . . . 0.89 109.92 172.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.9 t 74.48 24.14 1.83 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.076 -0.965 . . . . 1.35 111.924 173.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -102.16 122.74 44.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.693 -0.23 . . . . 2.95 110.664 177.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -93.42 161.17 14.49 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.219 -0.301 . . . . 0.46 111.234 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -139.68 147.63 41.24 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.151 -0.477 . . . . 0.96 110.795 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 p -94.33 -15.13 24.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.732 -0.667 . . . . 1.65 110.987 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.463 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 4.8 m-20 -114.41 131.42 23.31 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.511 . . . . 1.54 110.985 -172.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 21.0 Cg_exo -65.75 -34.23 41.23 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.439 2.759 . . . . 0.52 112.713 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . . . -84.79 -24.57 28.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.19 0.519 . . . . 0.35 110.08 -177.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.97 -45.07 71.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.615 -0.721 . . . . 0.31 109.142 175.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 44.5 t -67.45 -28.45 67.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.44 -0.8 . . . . 1.02 109.886 174.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 45' ' ' ALA . 7.2 tptp -69.23 -45.7 69.15 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.117 -0.492 . . . . 2.37 110.019 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.99 -32.76 69.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.772 -0.649 . . . . 0.31 109.939 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.523 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 20.4 t60 -74.1 -29.64 61.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.141 -0.936 . . . . 0.81 110.325 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 28.4 mt-10 -59.18 -38.68 80.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.138 0.494 . . . . 3.27 109.767 171.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 10.4 mmpt? -80.12 -5.67 56.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.447 -0.797 . . . . 2.9 111.861 -175.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.7 p -92.47 -22.97 19.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.044 0.45 . . . . 0.58 110.321 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.586 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 28.6 m-70 -88.28 -35.47 17.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.353 0.597 . . . . 1.0 109.673 170.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.7 t -109.02 80.46 1.32 Allowed Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.324 -0.991 . . . . 1.4 108.324 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.586 ' HD3' ' O ' ' A' ' 54' ' ' HIS . 13.9 Cg_exo . . . . . 0 N--CA 1.46 -0.46 0 C-N-CA 123.024 2.482 . . . . 1.01 111.935 -172.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.539 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 1.3 m-85 . . . . . 0 CA--C 1.517 -0.313 0 N-CA-C 108.497 -0.927 . . . . 1.69 108.497 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -99.88 137.54 38.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.673 -1.149 . . . . 1.39 111.052 -175.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.1 t -110.07 138.55 46.29 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.438 -0.801 . . . . 0.93 109.382 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 30.2 ptt180 -90.19 -40.73 12.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.455 -0.339 . . . . 4.92 111.712 -173.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.503 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 2.2 pm0 -75.86 -35.56 59.86 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.555 0.576 . . . . 2.64 112.555 -172.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.516 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 13.1 p -99.87 -8.05 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.578 -0.849 . . . . 0.89 109.882 176.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 m 66.87 11.28 8.21 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.794 -1.094 . . . . 1.35 112.372 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.487 ' NZ ' ' HB2' ' A' ' 39' ' ' LYS . 4.3 ttmp? -100.9 126.38 47.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.514 -0.312 . . . . 2.95 110.707 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -109.6 144.45 37.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.313 -0.403 . . . . 0.46 110.291 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.544 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 60.6 m-85 -115.33 158.09 22.9 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.227 -0.442 . . . . 0.96 110.748 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.0 t -96.33 -3.36 43.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.274 0.559 . . . . 1.65 109.695 175.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -117.71 118.58 34.87 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.719 -0.673 . . . . 1.54 109.923 178.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 32.4 Cg_exo -58.39 -31.78 94.75 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 123.225 2.617 . . . . 0.52 113.077 -177.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.96 -24.76 22.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.816 0.341 . . . . 0.35 110.521 -177.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.78 78.29 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.339 -0.615 . . . . 0.31 109.339 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 44.2 t -68.09 -33.39 74.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.546 -0.752 . . . . 1.02 109.604 174.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -66.04 -39.29 90.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.941 -0.572 . . . . 2.37 110.328 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.68 -44.49 66.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.942 -0.572 . . . . 0.31 110.33 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.516 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 29.2 t60 -62.02 -43.44 98.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.41 -0.814 . . . . 0.81 111.351 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 49.8 mm-40 -66.83 -27.63 67.71 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.143 0.497 . . . . 3.27 111.145 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -65.97 -22.34 66.47 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.766 -0.652 . . . . 2.9 111.826 172.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.5 p -82.42 -21.14 35.86 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.38 -0.528 . . . . 0.58 110.406 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 29.7 m-70 -63.4 -40.96 98.61 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.325 0.583 . . . . 1.0 109.756 170.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.5 m -122.03 76.75 40.81 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.527 -0.76 . . . . 1.4 109.246 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo . . . . . 0 C--N 1.346 0.412 0 C-N-CA 123.1 2.534 . . . . 1.01 113.03 -170.689 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.063 0.459 . . . . 1.69 110.066 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.2 t -97.81 99.17 10.49 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.883 -0.599 . . . . 1.39 109.695 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 36' ' ' GLU . 53.6 t -77.94 105.12 8.93 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.536 -0.757 . . . . 0.93 109.682 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -68.02 -26.38 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 4.92 110.305 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.518 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 7.7 tp10 -54.63 -46.66 73.94 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.653 -0.703 . . . . 2.64 111.453 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.518 ' HG ' ' CE1' ' A' ' 50' ' ' HIS . 27.5 p -115.16 -0.36 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.89 111.342 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 m 65.03 19.85 11.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.481 -0.782 . . . . 1.35 111.796 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -101.25 148.86 24.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 2.95 109.916 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.19 136.65 54.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.874 0.368 . . . . 0.46 111.146 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.401 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 44.3 m-85 -127.51 155.61 43.49 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.007 -0.738 . . . . 0.96 109.007 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.3 p -110.03 -7.17 14.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.098 0.475 . . . . 1.65 110.449 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -120.94 125.23 27.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.619 -0.719 . . . . 1.54 110.968 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.568 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 34.1 Cg_exo -60.15 -26.01 81.42 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.596 2.864 . . . . 0.52 113.546 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.92 -24.88 20.05 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.156 0.503 . . . . 0.35 110.541 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.06 -47.66 57.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.778 -0.646 . . . . 0.31 109.747 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 44' ' ' PRO . 28.4 p -67.92 -25.21 65.36 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.605 -0.725 . . . . 1.02 109.365 174.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 41.8 tttp -64.33 -48.52 75.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.011 -0.541 . . . . 2.37 109.679 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 53' ' ' THR . . . -61.17 -43.57 98.68 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.512 0.672 . . . . 0.31 110.013 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.518 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 49.6 t60 -64.02 -49.39 72.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.744 -1.116 . . . . 0.81 111.471 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 62.4 mm-40 -66.09 -30.64 71.19 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.998 0.428 . . . . 3.27 111.041 -177.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 30.1 mtpp -64.7 -21.29 66.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.026 -0.533 . . . . 2.9 111.196 173.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 49' ' ' ALA . 33.1 p -88.92 -20.16 24.89 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.212 -0.595 . . . . 0.58 110.55 175.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 1.6 m-70 -61.0 -41.39 96.41 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.359 0.6 . . . . 1.0 110.24 172.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.7 m -121.43 88.65 46.36 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.232 -0.895 . . . . 1.4 109.191 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--N 1.343 0.256 0 C-N-CA 123.229 2.62 . . . . 1.01 113.133 -174.376 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 120.968 0.414 . . . . 1.69 110.42 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -100.93 99.76 10.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.165 -0.471 . . . . 1.39 110.155 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.14 136.42 55.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.871 -0.604 . . . . 0.93 109.93 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -90.15 -35.59 15.31 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.89 -0.595 . . . . 4.92 111.96 -170.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -33.14 56.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.03 0.381 . . . . 2.64 112.03 -173.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.443 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 19.5 p -110.1 -2.2 17.08 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 119.857 -0.737 . . . . 0.89 111.209 -177.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.2 m 65.28 14.52 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.409 -0.814 . . . . 1.35 111.96 175.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -100.51 121.92 42.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.843 0.354 . . . . 2.95 110.519 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.09 143.1 27.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.948 -0.569 . . . . 0.46 110.853 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -123.46 142.63 50.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.23 0.538 . . . . 0.96 110.8 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 p -84.49 -16.17 43.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.551 -0.75 . . . . 1.65 110.483 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -121.63 124.37 27.17 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.621 -0.718 . . . . 1.54 110.462 -173.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -59.64 -31.81 94.91 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 123.159 2.573 . . . . 0.52 112.879 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.78 -21.94 29.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.28 0.562 . . . . 0.35 110.185 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.3 -40.26 70.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.504 -0.771 . . . . 0.31 109.248 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.468 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 48.1 t -72.21 -25.61 61.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.615 -0.72 . . . . 1.02 109.728 174.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 48' ' ' LYS . 19.9 ttmm -72.17 -40.32 68.03 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.344 0.592 . . . . 2.37 110.48 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.587 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . . . -65.12 -32.46 74.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.753 0.787 . . . . 0.31 109.334 173.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.443 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 86.2 t60 -72.09 -27.49 62.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.735 -1.121 . . . . 0.81 110.717 177.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 48.4 mt-10 -58.25 -37.83 75.68 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.052 -0.722 . . . . 3.27 109.052 172.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' A' ' 49' ' ' ALA . 49.7 mtmt -76.28 -9.46 58.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.213 -0.903 . . . . 2.9 111.68 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.5 p -92.83 -23.89 18.68 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.359 -0.536 . . . . 0.58 110.359 174.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.402 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 3.4 m-70 -77.2 -40.41 45.3 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.246 -0.649 . . . . 1.0 109.246 172.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 m -111.97 87.74 9.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.114 -0.698 . . . . 1.4 109.114 172.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 N--CA 1.477 0.545 0 C-N-CA 123.855 3.037 . . . . 1.01 113.911 -170.313 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 121.096 0.474 . . . . 1.69 110.611 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 p -93.76 136.9 33.57 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.757 -0.656 . . . . 1.39 110.669 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.4 t -129.4 102.82 6.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.97 -0.559 . . . . 0.93 110.114 -175.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -64.2 -32.87 74.62 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.778 0.288 . . . . 4.92 111.778 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -51.17 -46.39 62.05 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 122.972 0.509 . . . . 2.64 111.908 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.539 ' HG ' ' CE1' ' A' ' 50' ' ' HIS . 27.2 p -110.72 -0.43 17.09 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.727 -0.389 . . . . 0.89 111.061 -177.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 m 66.98 17.39 10.5 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.57 -0.741 . . . . 1.35 111.468 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 74.8 mmtt -101.2 154.67 18.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.988 0.423 . . . . 2.95 110.797 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.59 132.02 20.87 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.761 -0.654 . . . . 0.46 109.855 177.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.574 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 85.0 m-85 -124.76 150.73 45.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.068 0.461 . . . . 0.96 110.844 -176.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 m -102.42 -2.3 29.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.632 -0.713 . . . . 1.65 110.137 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 16.5 m-20 -111.59 124.3 32.83 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.671 -0.695 . . . . 1.54 109.949 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 32.4 Cg_exo -58.29 -34.85 99.01 Favored 'Trans proline' 0 CA--C 1.521 -0.147 0 C-N-CA 123.583 2.856 . . . . 0.52 113.216 -175.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.4 -23.9 20.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.835 0.35 . . . . 0.35 110.626 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -67.9 -45.65 73.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.698 -0.482 . . . . 0.31 109.698 176.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.574 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 42.6 t -67.49 -35.73 79.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.706 -0.679 . . . . 1.02 109.363 174.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 54.8 tttp -65.96 -29.86 70.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.648 -0.705 . . . . 2.37 110.634 -177.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.66 -50.81 19.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.301 0.572 . . . . 0.31 110.295 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.539 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 29.1 t60 -59.94 -46.21 90.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.284 -0.871 . . . . 0.81 111.399 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -65.03 -25.18 67.73 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.237 0.541 . . . . 3.27 110.834 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 30.9 mtmm -69.78 -16.08 63.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.865 -0.607 . . . . 2.9 111.669 172.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.3 p -84.77 -27.66 26.74 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.088 -0.645 . . . . 0.58 109.765 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -61.33 -41.75 97.55 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.212 0.529 . . . . 1.0 110.068 172.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 p -123.06 89.76 50.63 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.797 -0.638 . . . . 1.4 109.484 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo . . . . . 0 C--N 1.348 0.547 0 C-N-CA 123.4 2.734 . . . . 1.01 113.051 -174.682 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 44' ' ' PRO . 91.1 m-85 . . . . . 0 CA--C 1.516 -0.354 0 N-CA-C 109.764 -0.458 . . . . 1.69 109.764 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.55 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 49.9 m -136.3 126.64 26.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.179 0.514 . . . . 1.39 111.413 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.8 t -80.69 82.51 6.68 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.742 -0.836 . . . . 0.93 108.742 173.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -55.35 -23.34 23.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 4.92 111.944 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.616 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 2.2 mm-40 -59.31 -38.13 79.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.457 -0.338 . . . . 2.64 110.896 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.6 p -127.85 1.42 6.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.104 0.478 . . . . 0.89 111.383 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.4 t 71.2 25.24 3.64 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.287 -0.87 . . . . 1.35 111.891 176.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -100.87 120.78 40.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.687 0.28 . . . . 2.95 110.57 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -95.84 158.99 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.914 0.387 . . . . 0.46 111.681 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -139.78 156.59 46.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.83 -0.623 . . . . 0.96 110.545 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.1 m -104.64 -4.42 22.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.902 -0.59 . . . . 1.65 109.879 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.459 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 14.4 m-20 -117.38 122.6 30.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.713 -0.676 . . . . 1.54 110.015 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 19.6 Cg_endo -60.22 -33.76 94.52 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.29 2.66 . . . . 0.52 113.335 -177.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.01 -25.83 24.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.35 110.208 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -67.51 -39.04 85.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.141 -0.689 . . . . 0.31 109.141 174.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 39.9 t -68.18 -37.1 80.6 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.153 -0.931 . . . . 1.02 109.892 173.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -65.96 -39.05 90.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.183 0.516 . . . . 2.37 110.587 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 53' ' ' THR . . . -69.62 -41.05 76.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.767 -0.651 . . . . 0.31 109.602 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -64.51 -43.27 94.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.801 -1.091 . . . . 0.81 111.07 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 44.1 mt-10 -58.26 -39.42 79.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.346 0.593 . . . . 3.27 110.301 176.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -83.24 9.91 9.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.691 -0.686 . . . . 2.9 112.534 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 49' ' ' ALA . 69.8 p -96.72 -24.51 15.92 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.689 -0.856 . . . . 0.58 108.689 166.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.616 ' CE1' ' HB2' ' A' ' 36' ' ' GLU . 11.0 m-70 -74.09 -36.91 64.3 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 108.816 -0.809 . . . . 1.0 108.816 169.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.0 t -107.33 86.35 2.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 114.992 -1.003 . . . . 1.4 109.0 172.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 54' ' ' HIS . 73.2 Cg_exo . . . . . 0 C--N 1.348 0.529 0 C-N-CA 123.304 2.669 . . . . 1.01 113.222 -173.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 CA--C 1.518 -0.251 0 N-CA-C 109.74 -0.467 . . . . 1.69 109.74 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.3 m -124.66 131.7 53.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.388 0.613 . . . . 1.39 111.375 -175.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.436 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 1.9 t -94.57 82.02 3.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.183 -0.917 . . . . 0.93 108.875 178.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -46.3 -43.05 15.47 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.939 0.718 . . . . 4.92 112.939 -173.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.521 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 12.6 mm-40 -61.97 -30.52 70.98 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.4 0.519 . . . . 2.64 112.4 -173.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 14.6 p -124.28 6.11 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.285 -0.566 . . . . 0.89 111.231 -174.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.5 p 54.66 33.01 18.38 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.825 1.25 . . . . 1.35 113.596 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 5.8 tmtt? -101.34 157.52 16.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.475 -0.565 . . . . 2.95 109.475 174.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.18 149.53 46.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.679 0.276 . . . . 0.46 110.743 176.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' A' ' 34' ' ' CYS . 59.1 m-85 -113.76 137.42 51.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.362 -0.381 . . . . 0.96 110.976 -175.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.1 p -90.21 -7.89 52.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.906 -0.588 . . . . 1.65 110.722 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 30.7 m-20 -123.94 133.86 24.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.036 -0.529 . . . . 1.54 110.612 -178.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 21.1 Cg_exo -66.07 -28.98 48.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.244 2.629 . . . . 0.52 112.745 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.04 -24.46 26.36 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.027 0.441 . . . . 0.35 109.93 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.98 -38.87 92.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.736 -0.665 . . . . 0.31 109.754 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 47.3 t -67.08 -40.3 86.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.701 -0.682 . . . . 1.02 109.673 173.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 84.0 tttt -63.41 -49.85 72.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.533 -0.758 . . . . 2.37 110.701 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.66 -33.69 76.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.45 -0.796 . . . . 0.31 110.425 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.415 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 23.1 t60 -78.24 -28.33 47.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.658 -0.701 . . . . 0.81 110.752 -177.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 37.6 mt-10 -56.41 -35.81 68.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.749 0.785 . . . . 3.27 109.195 169.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 62.1 mmtt -82.59 -7.47 59.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.773 -1.103 . . . . 2.9 111.591 -177.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.2 p -99.65 -32.74 10.92 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.756 -0.378 . . . . 0.58 111.1 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 36' ' ' GLU . 3.0 m-70 -72.08 -35.81 69.35 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.28 0.562 . . . . 1.0 109.559 173.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.3 t -119.43 88.41 38.25 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.307 -0.997 . . . . 1.4 108.307 170.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.465 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 18.0 Cg_exo . . . . . 0 C--O 1.236 0.376 0 C-N-CA 123.224 2.616 . . . . 1.01 113.846 -170.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.467 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 95.6 m-85 . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 121.473 0.654 . . . . 1.69 110.714 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.2 m -84.63 100.83 11.69 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.047 -0.979 . . . . 1.39 110.174 177.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.47 ' SG ' ' HB3' ' A' ' 36' ' ' GLU . 47.5 t -97.22 108.1 20.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.055 -0.52 . . . . 0.93 110.453 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 35' ' ' ARG . 39.1 mtm180 -79.25 -14.04 59.29 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.882 -0.327 . . . . 4.92 111.13 -179.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 9.3 tp10 -61.32 -43.59 98.62 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.216 0.531 . . . . 2.64 110.885 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.407 ' HG ' ' CE1' ' A' ' 50' ' ' HIS . 25.4 p -113.59 0.19 14.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.833 -0.621 . . . . 0.89 110.088 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 m 68.2 11.25 8.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.233 -0.894 . . . . 1.35 111.749 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 62.2 mttp -102.75 142.43 33.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.356 -0.383 . . . . 2.95 110.646 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.22 128.42 52.41 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.213 -0.449 . . . . 0.46 110.445 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.544 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 79.4 m-85 -113.31 154.04 27.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.34 -0.391 . . . . 0.96 110.468 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.09 -5.25 14.81 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.942 -0.572 . . . . 1.65 109.662 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.471 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 7.7 m-20 -106.02 120.24 49.59 Favored Pre-proline 0 C--O 1.234 0.265 0 CA-C-N 115.751 -0.659 . . . . 1.54 109.503 178.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 52.6 Cg_exo -55.99 -34.89 93.5 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.663 2.909 . . . . 0.52 113.582 -174.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.2 -23.8 21.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.874 0.369 . . . . 0.35 110.902 -176.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -71.98 -40.86 68.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.713 -0.477 . . . . 0.31 109.713 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 51.9 t -69.61 -34.21 73.76 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.784 -0.644 . . . . 1.02 109.6 173.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.672 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 47.9 tttp -64.92 -50.3 67.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.962 -0.563 . . . . 2.37 109.966 -177.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 53' ' ' THR . . . -62.04 -42.6 99.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.347 0.594 . . . . 0.31 110.252 -178.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.407 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 55.6 t60 -62.77 -48.08 80.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.073 -0.967 . . . . 0.81 111.278 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 56.7 mm-40 -67.54 -32.37 73.1 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.924 0.392 . . . . 3.27 111.381 -177.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 32.6 mmmt -55.97 -37.23 68.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.057 -0.52 . . . . 2.9 110.796 172.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 49' ' ' ALA . 28.9 p -78.02 -24.63 47.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.602 -0.272 . . . . 0.58 111.463 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -58.82 -43.02 90.53 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.171 0.51 . . . . 1.0 110.396 176.158 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 t -113.44 78.07 3.4 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 107.786 -1.19 . . . . 1.4 107.786 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo . . . . . 0 N--CA 1.462 -0.356 0 C-N-CA 122.775 2.317 . . . . 1.01 112.714 -168.227 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.488 -0.56 . . . . 1.69 109.488 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.557 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 10.4 t -148.45 154.5 39.96 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.238 0.542 . . . . 1.39 110.655 -178.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.7 t -104.8 103.55 13.18 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.96 -0.756 . . . . 0.93 108.96 176.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -59.72 -44.46 93.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.571 -0.74 . . . . 4.92 111.387 -172.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.31 -37.37 85.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.275 -0.875 . . . . 2.64 113.279 -172.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.4 p -115.32 -3.08 12.5 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.574 -0.85 . . . . 0.89 111.852 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t 72.41 21.12 3.81 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.585 0.754 . . . . 1.35 112.509 172.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -101.41 137.95 39.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.119 -0.363 . . . . 2.95 110.029 175.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -108.03 159.39 16.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.991 0.424 . . . . 0.46 111.867 -176.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.61 147.84 45.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.681 -0.69 . . . . 0.96 110.604 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.8 p -96.35 -8.48 32.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.982 -0.554 . . . . 1.65 110.698 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.447 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 9.7 m-20 -113.53 128.72 25.38 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 1.54 110.52 -177.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 24.5 Cg_exo -63.13 -35.12 66.41 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.464 2.776 . . . . 0.52 113.162 -176.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.84 -21.47 23.69 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.935 0.398 . . . . 0.35 110.104 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -69.12 -39.05 79.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.259 -0.645 . . . . 0.31 109.259 173.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 45.1 t -68.43 -38.88 81.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.526 -0.761 . . . . 1.02 109.763 174.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -64.12 -43.4 95.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.043 0.449 . . . . 2.37 110.465 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 52' ' ' LYS . . . -69.09 -32.18 71.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.517 0.675 . . . . 0.31 110.208 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -69.7 -39.39 76.94 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.061 -0.972 . . . . 0.81 110.264 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 46.0 mt-10 -64.79 -24.62 67.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.543 0.687 . . . . 3.27 110.313 176.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 29.4 mmtp -72.85 -21.32 60.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.188 -0.914 . . . . 2.9 111.176 175.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.6 p -87.7 -29.14 21.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.369 -0.532 . . . . 0.58 111.335 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -75.51 -17.99 59.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.333 0.587 . . . . 1.0 109.95 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 m -118.61 76.19 13.28 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.631 -0.878 . . . . 1.4 108.631 169.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo . . . . . 0 C--O 1.237 0.43 0 C-N-CA 122.682 2.255 . . . . 1.01 112.716 -171.215 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.9 t80 . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 108.931 -0.766 . . . . 1.69 108.931 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.7 m -126.45 98.83 5.58 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.227 -0.442 . . . . 1.39 110.477 -177.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.4 t -77.2 89.05 3.66 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.643 -0.873 . . . . 0.93 108.643 174.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -74.59 -6.46 48.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.204 -0.453 . . . . 4.92 110.582 -175.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.39 -47.35 76.64 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.841 -0.618 . . . . 2.64 110.495 173.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 21.7 p -107.6 -2.8 19.92 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.33 0.586 . . . . 0.89 110.185 177.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 t 68.51 19.23 8.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.626 -1.17 . . . . 1.35 111.008 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.517 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 64.3 mttp -101.34 121.03 41.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.913 -0.403 . . . . 2.95 109.913 176.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.51 149.6 26.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.138 -0.483 . . . . 0.46 110.597 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.59 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 96.1 m-85 -137.94 148.13 44.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.96 110.636 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.1 p -88.11 -15.0 37.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.641 -0.709 . . . . 1.65 110.956 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 45.1 m-20 -107.63 118.68 52.63 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.398 -0.365 . . . . 1.54 110.025 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 31.4 Cg_exo -59.9 -28.65 87.65 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 123.547 2.831 . . . . 0.52 113.718 -176.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.64 -22.53 21.15 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.524 -0.47 . . . . 0.35 110.585 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 43' ' ' ASP . . . -69.36 -43.44 73.6 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.045 -0.525 . . . . 0.31 109.629 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.59 ' HB3' ' HB2' ' A' ' 41' ' ' PHE . 7.4 p -71.26 -29.13 64.71 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.754 -0.657 . . . . 1.02 110.143 175.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 1.5 tmtp? -66.31 -43.43 86.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.899 -0.592 . . . . 2.37 109.621 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.81 -34.45 77.83 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.475 0.655 . . . . 0.31 110.047 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.505 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 39.5 t60 -68.35 -42.0 79.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.282 -0.872 . . . . 0.81 110.998 176.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 28.7 mm-40 -67.05 -24.86 66.03 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.475 0.655 . . . . 3.27 110.386 178.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 33.9 mtpt -71.56 -14.81 62.2 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.426 -0.806 . . . . 2.9 111.37 172.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.5 p -87.08 -20.9 26.45 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 119.827 -0.749 . . . . 0.58 109.655 173.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.512 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 31.3 m-70 -62.05 -34.26 75.92 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 109.185 -0.672 . . . . 1.0 109.185 169.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.8 p -115.85 79.72 8.17 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.401 -0.818 . . . . 1.4 109.691 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo . . . . . 0 C--N 1.351 0.686 0 C-N-CA 124.224 3.282 . . . . 1.01 113.951 -170.576 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.277 0.561 . . . . 1.69 110.82 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.1 t -100.95 99.07 9.48 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.523 -0.762 . . . . 1.39 109.964 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.402 ' SG ' ' OE2' ' A' ' 51' ' ' GLU . 43.2 t -78.65 107.65 11.49 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.214 -0.661 . . . . 0.93 109.214 176.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -71.72 -32.08 67.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.554 -0.294 . . . . 4.92 111.017 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -57.54 -50.19 73.9 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.948 -0.569 . . . . 2.64 112.002 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.7 p -101.84 -4.18 26.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.361 0.6 . . . . 0.89 110.044 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.1 m 67.53 15.46 9.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.755 -1.112 . . . . 1.35 111.963 177.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -100.8 119.71 39.05 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.82 -0.437 . . . . 2.95 109.82 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.95 146.53 25.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.363 -0.38 . . . . 0.46 110.416 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.553 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 61.2 m-85 -128.14 155.2 44.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.249 -0.432 . . . . 0.96 110.51 177.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 p -106.38 -4.56 19.82 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.833 -0.621 . . . . 1.65 110.234 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.465 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 39.9 m-20 -106.6 116.61 58.68 Favored Pre-proline 0 N--CA 1.451 -0.407 0 N-CA-C 109.272 -0.64 . . . . 1.54 109.272 177.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.85 -34.21 90.77 Favored 'Trans proline' 0 CA--C 1.52 -0.177 0 C-N-CA 123.578 2.852 . . . . 0.52 113.682 -174.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.521 ' HA ' ' HB3' ' A' ' 48' ' ' LYS . . . -90.36 -21.74 21.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.35 110.765 -176.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -70.53 -42.72 70.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.324 0.583 . . . . 0.31 109.513 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.553 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 42.5 t -68.83 -34.64 75.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.45 -0.796 . . . . 1.02 109.558 173.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.521 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 1.8 tmtp? -66.91 -45.12 78.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.951 -0.568 . . . . 2.37 110.588 -177.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.68 -43.32 84.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.26 0.552 . . . . 0.31 110.189 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -62.05 -43.18 99.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.125 -0.943 . . . . 0.81 111.507 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 49.8 mm-40 -68.96 -28.92 67.06 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.239 0.542 . . . . 3.27 111.408 -178.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -70.23 -14.73 62.75 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.781 -0.645 . . . . 2.9 111.555 174.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.6 p -90.64 -19.73 23.32 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.384 -0.526 . . . . 0.58 110.33 172.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.518 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 8.9 m-70 -60.69 -40.98 94.19 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.213 0.53 . . . . 1.0 109.786 170.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -102.59 90.32 2.16 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.289 -0.868 . . . . 1.4 109.052 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo . . . . . 0 C--N 1.35 0.636 0 C-N-CA 123.177 2.585 . . . . 1.01 112.758 -170.535 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 CA--C 1.514 -0.441 0 N-CA-C 109.364 -0.606 . . . . 1.69 109.364 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -131.26 118.84 20.95 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.972 0.415 . . . . 1.39 111.059 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.523 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 0.5 OUTLIER -77.49 85.09 3.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.269 -1.012 . . . . 0.93 108.269 172.672 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -49.85 -45.89 50.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.964 -1.017 . . . . 4.92 113.473 -170.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.818 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 1.4 pm0 -71.28 -18.22 62.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.767 0.655 . . . . 2.64 112.767 -172.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.818 ' SG ' ' HG2' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -137.77 23.82 2.87 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.128 0.418 . . . . 0.89 112.128 -174.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 p 48.54 28.06 1.64 Allowed 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.439 1.274 . . . . 1.35 114.439 170.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 37' ' ' CYS . 42.4 mmtm -102.69 103.18 13.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.037 -0.414 . . . . 2.95 111.26 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.05 152.24 18.5 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.993 -0.283 . . . . 0.46 110.612 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -135.04 157.0 48.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.126 -0.488 . . . . 0.96 110.625 -178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.6 t -108.12 -10.73 15.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.612 -0.722 . . . . 1.65 109.188 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 12.9 m-20 -102.77 118.95 57.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.436 -0.802 . . . . 1.54 109.893 178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.97 -32.86 94.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 123.035 2.49 . . . . 0.52 112.801 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.18 -23.48 30.55 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.209 0.528 . . . . 0.35 110.329 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 43' ' ' ASP . . . -69.37 -43.4 73.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.7 -0.682 . . . . 0.31 109.561 175.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.0 t -72.12 -24.28 61.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.678 -0.692 . . . . 1.02 109.627 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -69.73 -47.78 61.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.054 -0.521 . . . . 2.37 110.005 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.86 -39.57 79.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.753 -0.658 . . . . 0.31 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.523 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 17.2 t60 -65.4 -33.08 75.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.767 -0.651 . . . . 0.81 110.282 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -66.95 -32.27 73.4 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.011 0.434 . . . . 3.27 110.204 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -71.15 -25.4 62.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.021 -0.536 . . . . 2.9 110.932 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.2 p -84.2 -8.6 59.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.962 0.41 . . . . 0.58 111.144 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -102.36 8.7 40.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.552 0.691 . . . . 1.0 109.575 170.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.1 m -149.83 69.12 9.19 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.145 -0.934 . . . . 1.4 108.676 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo . . . . . 0 C--N 1.349 0.579 0 C-N-CA 123.28 2.654 . . . . 1.01 113.297 -171.058 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.444 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 77.0 m-85 . . . . . 0 C--O 1.236 0.365 0 CA-C-O 121.746 0.784 . . . . 1.69 110.592 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -76.02 99.84 4.72 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.442 -1.253 . . . . 1.39 110.831 -178.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.5 t -72.38 124.31 24.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.78 -0.645 . . . . 0.93 110.38 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 35' ' ' ARG . 1.7 ptm180 -77.01 -20.43 56.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.355 -0.384 . . . . 4.92 111.902 -176.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.495 ' HG2' ' CD2' ' A' ' 54' ' ' HIS . 8.9 tp10 -73.94 -50.45 19.99 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 120.62 0.248 . . . . 2.64 111.342 -175.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.557 ' SG ' ' NE2' ' A' ' 50' ' ' HIS . 28.3 p -104.34 -1.98 26.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.09 0.472 . . . . 0.89 110.593 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.5 m 66.08 11.72 7.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.037 -0.983 . . . . 1.35 111.179 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 56.2 tptt -101.08 131.97 46.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 2.95 110.374 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.92 145.65 28.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.555 -0.293 . . . . 0.46 110.4 176.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.559 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 56.1 m-85 -128.99 122.39 29.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.373 -0.376 . . . . 0.96 110.575 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 p -78.5 11.8 2.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.13 -0.486 . . . . 1.65 111.485 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.524 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 26.9 m-20 -125.98 112.02 24.42 Favored Pre-proline 0 N--CA 1.453 -0.307 0 N-CA-C 109.233 -0.655 . . . . 1.54 109.233 176.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.37 -29.01 82.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.981 2.454 . . . . 0.52 113.386 -175.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.29 -25.53 20.48 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.812 -0.355 . . . . 0.35 110.693 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -71.42 -41.48 69.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.335 -0.617 . . . . 0.31 109.335 176.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.559 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 36.3 t -66.13 -33.27 75.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.111 -0.949 . . . . 1.02 109.166 174.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 48' ' ' LYS . 35.2 ttpt -63.64 -48.76 75.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 2.37 110.407 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 53' ' ' THR . . . -65.59 -41.28 92.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.454 0.645 . . . . 0.31 110.433 -178.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.557 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 37.7 t60 -64.97 -45.42 85.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.233 -0.894 . . . . 0.81 111.152 178.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -66.1 -32.73 74.36 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.107 0.479 . . . . 3.27 111.19 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -66.13 -16.26 63.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.99 -0.55 . . . . 2.9 111.752 175.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 49' ' ' ALA . 35.2 p -92.19 -20.39 21.25 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.285 -0.566 . . . . 0.58 110.799 176.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.495 ' CD2' ' HG2' ' A' ' 36' ' ' GLU . 2.1 m-70 -62.61 -41.76 99.18 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.357 0.599 . . . . 1.0 109.572 171.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -112.36 91.26 16.04 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 114.96 -1.018 . . . . 1.4 108.654 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo . . . . . 0 C--N 1.349 0.573 0 C-N-CA 124.698 3.599 . . . . 1.01 114.508 -171.771 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 CA--C 1.52 -0.193 0 N-CA-C 109.732 -0.47 . . . . 1.69 109.732 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.9 m -146.07 128.48 15.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.122 0.487 . . . . 1.39 110.877 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.1 t -74.98 104.02 5.41 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.736 -0.839 . . . . 0.93 108.736 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 35' ' ' ARG . 41.0 mtp180 -62.43 -40.56 96.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.298 -0.41 . . . . 4.92 112.085 -171.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 2.0 pm0 -64.04 -50.23 69.24 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.605 0.594 . . . . 2.64 112.605 -175.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.9 p -104.96 -6.29 20.23 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 119.973 -0.691 . . . . 0.89 111.368 -173.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m 69.42 31.49 3.79 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.159 -0.928 . . . . 1.35 112.421 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -100.13 135.14 42.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.113 -0.699 . . . . 2.95 109.113 173.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.09 154.78 30.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.209 0.528 . . . . 0.46 112.184 -173.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -142.82 158.52 43.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.345 -0.843 . . . . 0.96 109.588 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.0 m -109.89 -5.06 15.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.133 0.492 . . . . 1.65 110.361 175.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.05 120.53 51.99 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 1.54 110.534 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.91 -26.25 82.8 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 123.413 2.742 . . . . 0.52 112.969 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.0 -26.71 22.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.258 0.551 . . . . 0.35 110.264 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.89 -40.88 78.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.718 -0.674 . . . . 0.31 109.349 175.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -73.05 -22.81 60.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.597 -0.728 . . . . 1.02 109.83 175.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 31.7 tttp -70.11 -45.79 66.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.599 -0.728 . . . . 2.37 109.526 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.32 69.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.75 -0.659 . . . . 0.31 110.107 176.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -65.8 -36.2 82.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.334 -0.848 . . . . 0.81 110.132 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 48' ' ' LYS . 6.3 tp10 -60.55 -33.77 73.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.679 -0.692 . . . . 3.27 110.189 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 99.7 mttt -75.63 -15.0 60.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.439 -0.801 . . . . 2.9 111.701 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.5 p -92.78 -29.01 16.22 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.813 -0.355 . . . . 0.58 111.253 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -84.32 -28.18 27.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.106 0.479 . . . . 1.0 109.817 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.7 t -120.53 78.93 29.17 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 108.205 -1.035 . . . . 1.4 108.205 169.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.508 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 26.9 Cg_exo . . . . . 0 C--O 1.234 0.281 0 C-N-CA 122.864 2.376 . . . . 1.01 112.999 -171.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.363 -0.606 . . . . 1.69 109.363 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 p -105.11 117.2 33.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.947 -0.57 . . . . 1.39 111.458 -175.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' A' ' 36' ' ' GLU . 28.8 t -80.06 85.72 5.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.669 -0.863 . . . . 0.93 108.669 175.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.471 ' NE ' ' HA ' ' A' ' 35' ' ' ARG . 2.6 tpm_? -58.08 -29.66 65.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.454 -0.794 . . . . 4.92 111.871 -173.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HG2' ' SG ' ' A' ' 34' ' ' CYS . 1.6 pm0 -68.43 -32.69 72.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.022 0.749 . . . . 2.64 113.022 -175.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.5 p -119.56 -0.4 10.84 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 119.86 -0.736 . . . . 0.89 111.853 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.1 t 78.69 7.08 2.27 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.547 -0.751 . . . . 1.35 112.711 172.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -97.75 134.68 40.59 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.89 -0.506 . . . . 2.95 110.644 176.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.9 151.5 46.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.406 -0.361 . . . . 0.46 111.399 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -131.73 166.08 22.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.076 -0.511 . . . . 0.96 110.071 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t -110.17 -1.23 17.52 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.081 -0.711 . . . . 1.65 109.081 174.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.597 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 7.5 m-20 -99.53 115.53 65.58 Favored Pre-proline 0 N--CA 1.451 -0.421 0 CA-C-N 115.705 -0.68 . . . . 1.54 109.326 178.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.0 -29.78 90.09 Favored 'Trans proline' 0 N--CA 1.466 -0.11 0 C-N-CA 122.933 2.422 . . . . 0.52 112.856 -177.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.39 -25.65 20.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.954 0.406 . . . . 0.35 110.413 -177.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.597 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -70.72 -37.22 73.51 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.068 -0.716 . . . . 0.31 109.068 176.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.96 -26.46 59.61 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.02 -0.991 . . . . 1.02 109.828 174.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -70.23 -40.69 74.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.127 0.489 . . . . 2.37 110.019 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.455 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . . . -70.81 -28.26 64.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.643 0.735 . . . . 0.31 110.039 175.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -75.9 -29.52 58.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.887 -1.051 . . . . 0.81 110.151 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -70.81 -42.96 69.58 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.496 -0.774 . . . . 3.27 110.336 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.455 ' HG2' ' HA ' ' A' ' 49' ' ' ALA . 19.2 ptpt -76.44 -5.01 45.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.172 -0.467 . . . . 2.9 111.297 -177.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.5 p -94.02 -21.33 19.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.207 -0.308 . . . . 0.58 110.75 173.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -86.02 -40.79 15.43 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.178 0.513 . . . . 1.0 109.782 169.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.8 m -106.94 84.75 1.65 Allowed Pre-proline 0 N--CA 1.448 -0.553 0 CA-C-N 115.491 -0.777 . . . . 1.4 109.141 171.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo . . . . . 0 N--CA 1.459 -0.512 0 C-N-CA 122.582 2.188 . . . . 1.01 112.541 -173.203 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 120.889 0.376 . . . . 1.69 111.22 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.9 m -105.38 117.14 33.26 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.96 -0.564 . . . . 1.39 110.193 175.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.3 t -76.79 92.48 3.59 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.458 -0.571 . . . . 0.93 109.458 176.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -62.81 -20.36 64.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 4.92 110.937 -175.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -63.15 -34.95 78.72 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.811 -0.631 . . . . 2.64 111.466 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.3 p -134.11 5.86 3.59 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.757 -0.377 . . . . 0.89 111.798 -176.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 t 74.65 0.89 3.68 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.56 0.744 . . . . 1.35 112.139 174.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.44 ' HD2' ' HE1' ' A' ' 50' ' ' HIS . 4.7 ttmp? -90.24 127.52 36.16 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.003 -0.436 . . . . 2.95 110.623 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.38 160.3 16.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.854 0.359 . . . . 0.46 111.353 -178.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -141.69 154.47 45.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 0.96 110.7 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.0 t -97.24 -11.63 23.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.7 -0.682 . . . . 1.65 109.55 176.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.437 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 5.3 m-20 -97.62 118.74 63.85 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.886 -0.597 . . . . 1.54 110.421 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.469 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 34.7 Cg_exo -60.59 -29.29 88.19 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 123.163 2.575 . . . . 0.52 113.102 -178.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.12 -22.55 22.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.126 0.489 . . . . 0.35 110.184 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -71.17 -41.05 70.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.862 -0.608 . . . . 0.31 109.845 176.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.94 -23.04 58.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.316 0.579 . . . . 1.02 109.697 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 79.9 tttt -71.68 -47.43 54.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.409 -0.814 . . . . 2.37 109.706 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.23 -24.57 61.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.514 0.673 . . . . 0.31 109.857 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.44 ' HE1' ' HD2' ' A' ' 39' ' ' LYS . 30.2 t60 -63.89 -36.5 84.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.976 -1.011 . . . . 0.81 110.241 176.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -68.05 -38.77 82.84 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.082 0.468 . . . . 3.27 109.884 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.476 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 46.5 mttp -62.5 -24.84 67.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.798 -0.637 . . . . 2.9 111.504 177.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.4 p -88.14 -14.75 37.92 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.737 -0.385 . . . . 0.58 111.855 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -83.37 -39.75 20.29 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.735 -0.469 . . . . 1.0 109.735 172.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -118.25 82.22 18.1 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.423 -0.954 . . . . 1.4 108.423 173.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 24.0 Cg_exo . . . . . 0 C--N 1.345 0.39 0 C-N-CA 123.273 2.649 . . . . 1.01 113.449 -169.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.1 mptt . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 120.617 0.246 . . . . 5.09 110.352 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -81.09 -3.95 12.41 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.804 2.336 . . . . 1.85 111.605 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -132.79 114.92 14.68 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.61 -0.723 . . . . 1.69 109.514 -177.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.571 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 20.5 t -128.91 130.58 46.99 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.806 0.336 . . . . 1.39 110.507 -179.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 43.2 t -73.9 108.05 6.49 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.53 -0.545 . . . . 0.93 109.53 174.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -66.12 -33.28 75.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.956 -0.565 . . . . 4.92 111.102 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -53.88 30.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.35 0.595 . . . . 2.64 111.498 -174.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.57 12.8 15.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.349 -0.841 . . . . 0.89 111.992 -172.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.5 p 56.86 31.82 20.32 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 114.597 -1.183 . . . . 1.35 113.604 173.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -101.56 107.91 19.32 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.931 -0.396 . . . . 2.95 109.931 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.571 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -92.8 156.83 16.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.904 0.383 . . . . 0.46 111.631 -177.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -136.26 159.61 41.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.805 -0.634 . . . . 0.96 111.006 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.6 m -107.69 -8.92 15.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.172 -0.922 . . . . 1.65 109.596 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.615 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 7.1 t70 -100.76 125.38 38.89 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.461 -0.79 . . . . 1.54 109.61 176.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.02 -21.38 56.56 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.608 2.205 . . . . 0.52 112.171 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.1 -33.54 14.72 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.641 0.257 . . . . 0.35 110.347 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.615 ' CB ' ' HB3' ' A' ' 43' ' ' ASP . . . -59.67 -43.73 93.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.193 0.52 . . . . 0.31 109.768 175.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.4 t -69.9 -28.6 65.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.472 -0.785 . . . . 1.02 110.385 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 16.8 tppt? -71.31 -41.34 70.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.422 -0.354 . . . . 2.37 110.21 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.09 68.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.462 0.648 . . . . 0.31 110.063 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -73.73 -30.37 62.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.043 -0.98 . . . . 0.81 110.238 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.23 -41.03 99.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 115.457 -0.792 . . . . 3.27 110.123 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.811 ' HD2' HD21 ' A' ' 57' ' ' LEU . 71.9 mmtt -77.31 -9.15 58.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.198 -0.91 . . . . 2.9 111.595 -174.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.9 p -96.55 -20.63 18.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.891 0.377 . . . . 0.58 111.093 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -86.94 -19.38 28.87 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.302 0.572 . . . . 1.0 109.638 170.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.3 m -128.59 81.9 69.72 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.36 -0.836 . . . . 1.4 109.368 173.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -48.82 135.16 28.58 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.583 2.855 . . . . 1.01 112.968 -174.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.811 HD21 ' HD2' ' A' ' 52' ' ' LYS . 21.5 mt -82.83 -29.68 29.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.372 -0.831 . . . . 2.15 110.508 -175.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm . . . . . 0 C--O 1.246 0.871 0 CA-C-N 115.358 -0.837 . . . . 3.7 110.302 178.476 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.461 ' HD2' ' HB3' ' A' ' 40' ' ' ALA . 36.4 mtmm . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.739 -0.467 . . . . 5.09 109.739 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.86 -24.48 21.11 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.138 2.559 . . . . 1.85 114.046 -170.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 40' ' ' ALA . 96.9 m-85 -111.77 82.61 1.65 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.178 0.513 . . . . 1.69 110.62 -178.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.4 m -97.55 101.9 13.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.741 -0.663 . . . . 1.39 110.78 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.2 t -86.28 99.71 11.76 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.299 -0.63 . . . . 0.93 109.299 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -65.85 -21.14 66.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.298 -0.41 . . . . 4.92 111.798 -174.344 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.449 ' N ' ' HD3' ' A' ' 35' ' ' ARG . 8.4 tp10 -67.05 -47.29 71.77 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 111.91 0.337 . . . . 2.64 111.91 -175.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -104.72 -1.72 25.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.959 0.409 . . . . 0.89 110.354 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.4 t 70.82 19.12 5.97 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.206 -0.906 . . . . 1.35 111.41 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -101.67 134.72 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 2.95 110.369 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.461 ' HB3' ' HD2' ' A' ' 30' ' ' LYS . . . -120.44 115.84 24.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.226 -0.443 . . . . 0.46 110.303 177.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -104.16 149.96 24.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.11 0.481 . . . . 0.96 111.015 -175.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.3 m -99.62 -9.32 23.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.621 -0.718 . . . . 1.65 109.722 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.605 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 6.1 t70 -99.44 126.64 36.86 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.687 -0.688 . . . . 1.54 109.25 175.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.453 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 24.8 Cg_endo -62.41 -26.88 76.91 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.594 2.196 . . . . 0.52 112.092 177.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . . . -91.12 -29.01 17.53 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.43 -0.35 . . . . 0.35 110.312 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.605 ' CB ' ' HB3' ' A' ' 43' ' ' ASP . . . -63.37 -38.58 91.7 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.087 -0.708 . . . . 0.31 109.087 174.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.8 t -65.54 -44.88 85.49 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 114.972 -1.013 . . . . 1.02 109.59 173.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 44' ' ' PRO . 28.8 mmtp -65.64 -43.72 88.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.579 -0.282 . . . . 2.37 111.668 -175.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.96 -50.17 67.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.268 0.556 . . . . 0.31 110.336 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -64.6 -43.04 95.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.153 -0.931 . . . . 0.81 111.616 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 54' ' ' HIS . 46.7 mm-40 -67.17 -30.3 70.23 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.603 -0.685 . . . . 3.27 111.147 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 52' ' ' LYS . 53.4 mmtt -78.07 5.59 9.67 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.797 -0.638 . . . . 2.9 112.061 173.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.7 p -99.79 -23.1 15.09 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.471 -0.566 . . . . 0.58 109.471 166.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 51' ' ' GLU . 48.6 m-70 -61.93 -41.86 98.43 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.451 -0.944 . . . . 1.0 108.451 169.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 p -115.3 81.8 8.69 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 114.751 -1.113 . . . . 1.4 108.689 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -65.92 136.95 47.03 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.921 2.414 . . . . 1.01 112.621 -171.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.409 ' H ' HD22 ' A' ' 57' ' ' LEU . 2.7 mm? -70.01 -23.28 63.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.415 -0.811 . . . . 2.15 110.086 178.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.8 tptp . . . . . 0 C--O 1.243 0.756 0 CA-C-O 118.447 -0.787 . . . . 3.7 109.569 175.698 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.51 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 91.8 mttt . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 121.228 0.537 . . . . 5.09 109.92 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 21.9 Cg_exo -64.53 -49.26 3.47 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 124.035 3.157 . . . . 1.85 114.18 -167.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 40' ' ' ALA . 95.3 m-85 -92.83 82.73 4.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.214 0.531 . . . . 1.69 110.177 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.5 m -84.38 99.93 10.96 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.404 -0.817 . . . . 1.39 110.761 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 0.5 OUTLIER -87.64 79.95 8.12 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.727 -0.842 . . . . 0.93 108.727 177.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -69.66 -25.79 64.08 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.376 -0.829 . . . . 4.92 113.168 -166.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -24.69 62.41 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.884 -0.726 . . . . 2.64 110.991 -177.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.4 p -114.95 2.38 14.25 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 119.901 -0.72 . . . . 0.89 110.809 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.0 m 65.8 27.88 11.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.028 -0.987 . . . . 1.35 112.081 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -101.6 163.28 12.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.658 0.266 . . . . 2.95 110.529 175.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 32' ' ' PHE . . . -142.52 134.61 27.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.823 0.345 . . . . 0.46 110.096 174.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -120.19 154.98 34.05 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.341 -0.391 . . . . 0.96 110.88 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 m -110.61 -10.1 14.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.366 0.603 . . . . 1.65 109.721 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 7.0 m-20 -101.93 120.59 53.52 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.438 -0.801 . . . . 1.54 109.913 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.16 -29.69 87.43 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 123.091 2.527 . . . . 0.52 113.026 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 48' ' ' LYS . . . -88.78 -23.63 22.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.119 0.485 . . . . 0.35 110.286 -178.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -69.46 -40.95 76.82 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.347 -0.612 . . . . 0.31 109.347 175.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 50.1 t -68.59 -33.47 74.12 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.411 -0.813 . . . . 1.02 109.537 173.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 86.5 tttt -63.04 -43.13 99.51 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.674 -0.694 . . . . 2.37 110.339 -178.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.89 -42.14 70.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.606 -0.725 . . . . 0.31 110.123 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.591 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 71.0 t60 -61.74 -41.01 97.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.141 -0.936 . . . . 0.81 110.486 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 39.1 mt-10 -55.89 -37.52 68.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.135 0.493 . . . . 3.27 110.907 175.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -78.97 -2.66 41.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.755 -0.657 . . . . 2.9 112.144 -176.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.5 p -94.51 -29.34 14.97 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.549 -0.461 . . . . 0.58 109.782 171.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.412 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 67.0 m-70 -76.28 -37.61 57.31 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 174.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 m -115.05 79.0 5.9 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.292 -0.867 . . . . 1.4 109.068 172.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 54' ' ' HIS . 25.5 Cg_exo -63.18 153.5 73.64 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.074 2.516 . . . . 1.01 112.536 -172.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 57' ' ' LEU . 5.1 mp -95.99 -40.05 9.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.628 -0.715 . . . . 2.15 109.102 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.944 0 CA-C-N 114.92 -1.037 . . . . 3.7 109.272 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 61.2 mttp . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 109.866 -0.42 . . . . 5.09 109.866 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.524 ' HG2' ' HA ' ' A' ' 42' ' ' SER . 14.7 Cg_endo -57.2 -38.05 96.29 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.408 2.739 . . . . 1.85 113.095 -175.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 91.4 m-85 -132.76 96.92 3.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.157 0.503 . . . . 1.69 109.797 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.3 t -114.63 107.55 15.63 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.582 -0.735 . . . . 1.39 109.891 -177.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 36' ' ' GLU . 40.4 t -89.64 94.94 10.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.751 -0.659 . . . . 0.93 109.807 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -69.39 -9.1 52.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 4.92 111.238 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 11.3 tp10 -68.21 -42.22 80.15 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 116.391 -0.368 . . . . 2.64 110.584 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.9 p -117.91 -3.89 11.14 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 121.002 -0.279 . . . . 0.89 111.345 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.5 m 72.78 19.61 3.87 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.319 0.648 . . . . 1.35 112.181 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -100.77 149.74 23.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.172 -0.307 . . . . 2.95 110.172 175.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.53 140.94 51.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.839 0.352 . . . . 0.46 110.686 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 55.0 m-85 -132.56 156.12 47.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.153 -0.476 . . . . 0.96 109.791 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.524 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 48.7 m -110.06 -0.42 18.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.113 0.483 . . . . 1.65 110.157 176.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.6 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 7.2 t70 -104.36 124.74 36.24 Favored Pre-proline 0 C--O 1.235 0.334 0 N-CA-C 108.903 -0.777 . . . . 1.54 108.903 176.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.65 -24.22 77.98 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.92 2.414 . . . . 0.52 112.257 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.4 ' HA ' ' HB3' ' A' ' 48' ' ' LYS . . . -92.69 -25.33 18.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.846 0.355 . . . . 0.35 111.127 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.6 ' CB ' ' HB3' ' A' ' 43' ' ' ASP . . . -67.46 -47.66 69.46 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.139 0.495 . . . . 0.31 109.788 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 15.6 p -67.4 -34.51 77.4 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.663 -0.699 . . . . 1.02 109.459 175.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 87.0 tttt -61.76 -46.35 89.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.05 -0.523 . . . . 2.37 110.171 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.81 -42.34 90.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.201 0.525 . . . . 0.31 110.857 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -72.71 -30.77 64.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.396 -0.82 . . . . 0.81 111.93 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 48.9 mm-40 -78.11 -30.09 49.27 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.359 0.599 . . . . 3.27 110.391 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 30.2 mtpp -64.27 -23.88 67.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.554 -0.748 . . . . 2.9 110.902 172.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.4 p -90.31 -10.39 44.3 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.86 -0.336 . . . . 0.58 110.769 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.521 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 5.5 m-70 -67.4 -42.28 83.56 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.232 0.539 . . . . 1.0 109.555 170.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.4 t -127.58 98.54 28.38 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.406 -0.815 . . . . 1.4 109.111 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.22 119.59 6.95 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.771 2.314 . . . . 1.01 112.397 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -87.06 -40.83 14.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.532 -0.758 . . . . 2.15 109.384 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.437 ' HE2' ' HB2' ' A' ' 58' ' ' LYS . 3.7 ptmm? . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.076 -0.966 . . . . 3.7 109.982 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 109.74 -0.467 . . . . 5.09 109.74 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.02 -43.85 10.91 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 2.274 . . . . 1.85 112.25 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -135.39 142.01 45.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.369 -0.378 . . . . 1.69 110.039 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 57.6 m -147.52 120.72 8.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.067 -0.515 . . . . 1.39 110.611 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' ' 50' ' ' HIS . 0.5 OUTLIER -76.39 95.83 3.89 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.79 -1.189 . . . . 0.93 107.79 173.192 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -79.42 0.05 30.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.064 0.764 . . . . 4.92 113.064 -164.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -109.3 -22.92 11.83 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.484 -0.486 . . . . 2.64 111.23 -179.044 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.441 ' HB3' ' HE1' ' A' ' 54' ' ' HIS . 14.6 p -109.59 -9.67 14.87 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 120.523 -0.471 . . . . 0.89 109.92 172.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.9 t 74.48 24.14 1.83 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.076 -0.965 . . . . 1.35 111.924 173.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -102.16 122.74 44.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.693 -0.23 . . . . 2.95 110.664 177.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -93.42 161.17 14.49 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.219 -0.301 . . . . 0.46 111.234 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -139.68 147.63 41.24 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.151 -0.477 . . . . 0.96 110.795 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 p -94.33 -15.13 24.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.732 -0.667 . . . . 1.65 110.987 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.463 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 4.8 m-20 -114.41 131.42 23.31 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.511 . . . . 1.54 110.985 -172.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 21.0 Cg_exo -65.75 -34.23 41.23 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.439 2.759 . . . . 0.52 112.713 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . . . -84.79 -24.57 28.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.19 0.519 . . . . 0.35 110.08 -177.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.97 -45.07 71.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.615 -0.721 . . . . 0.31 109.142 175.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 44.5 t -67.45 -28.45 67.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.44 -0.8 . . . . 1.02 109.886 174.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 45' ' ' ALA . 7.2 tptp -69.23 -45.7 69.15 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.117 -0.492 . . . . 2.37 110.019 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.99 -32.76 69.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.772 -0.649 . . . . 0.31 109.939 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.523 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 20.4 t60 -74.1 -29.64 61.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.141 -0.936 . . . . 0.81 110.325 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 28.4 mt-10 -59.18 -38.68 80.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.138 0.494 . . . . 3.27 109.767 171.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 10.4 mmpt? -80.12 -5.67 56.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.447 -0.797 . . . . 2.9 111.861 -175.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.7 p -92.47 -22.97 19.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.044 0.45 . . . . 0.58 110.321 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.586 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 28.6 m-70 -88.28 -35.47 17.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.353 0.597 . . . . 1.0 109.673 170.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.7 t -109.02 80.46 1.32 Allowed Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.324 -0.991 . . . . 1.4 108.324 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.586 ' HD3' ' O ' ' A' ' 54' ' ' HIS . 13.9 Cg_exo -68.68 130.22 20.28 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.024 2.482 . . . . 1.01 111.935 -172.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.492 ' H ' HD22 ' A' ' 57' ' ' LEU . 1.5 mm? -70.39 -37.95 74.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.472 -0.936 . . . . 2.15 108.472 177.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.409 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . 37.6 ttmt . . . . . 0 C--O 1.247 0.944 0 CA-C-N 114.73 -1.123 . . . . 3.7 109.358 173.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 33' ' ' SER . 35.4 mmtp . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.145 -0.317 . . . . 5.09 110.145 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -89.37 -51.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 123.04 2.493 . . . . 1.85 112.714 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.539 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 1.3 m-85 -122.12 34.34 5.2 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.497 -0.927 . . . . 1.69 108.497 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.647 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . 3.2 m -99.88 137.54 38.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.673 -1.149 . . . . 1.39 111.052 -175.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.1 t -110.07 138.55 46.29 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.438 -0.801 . . . . 0.93 109.382 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 30.2 ptt180 -90.19 -40.73 12.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.455 -0.339 . . . . 4.92 111.712 -173.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.503 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 2.2 pm0 -75.86 -35.56 59.86 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.555 0.576 . . . . 2.64 112.555 -172.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.1 p -99.87 -8.05 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.578 -0.849 . . . . 0.89 109.882 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 m 66.87 11.28 8.21 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.794 -1.094 . . . . 1.35 112.372 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.487 ' NZ ' ' HB2' ' A' ' 39' ' ' LYS . 4.3 ttmp? -100.9 126.38 47.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.514 -0.312 . . . . 2.95 110.707 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -109.6 144.45 37.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.313 -0.403 . . . . 0.46 110.291 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.544 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 60.6 m-85 -115.33 158.09 22.9 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.227 -0.442 . . . . 0.96 110.748 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.0 t -96.33 -3.36 43.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.274 0.559 . . . . 1.65 109.695 175.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -117.71 118.58 34.87 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.719 -0.673 . . . . 1.54 109.923 178.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 32.4 Cg_exo -58.39 -31.78 94.75 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 123.225 2.617 . . . . 0.52 113.077 -177.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.96 -24.76 22.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.816 0.341 . . . . 0.35 110.521 -177.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.78 78.29 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.339 -0.615 . . . . 0.31 109.339 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 44.2 t -68.09 -33.39 74.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.546 -0.752 . . . . 1.02 109.604 174.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -66.04 -39.29 90.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.941 -0.572 . . . . 2.37 110.328 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.68 -44.49 66.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.942 -0.572 . . . . 0.31 110.33 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -62.02 -43.44 98.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.41 -0.814 . . . . 0.81 111.351 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 49.8 mm-40 -66.83 -27.63 67.71 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.143 0.497 . . . . 3.27 111.145 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -65.97 -22.34 66.47 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.766 -0.652 . . . . 2.9 111.826 172.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.5 p -82.42 -21.14 35.86 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.38 -0.528 . . . . 0.58 110.406 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 29.7 m-70 -63.4 -40.96 98.61 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.325 0.583 . . . . 1.0 109.756 170.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.5 m -122.03 76.75 40.81 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.527 -0.76 . . . . 1.4 109.246 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -59.68 151.54 69.33 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.1 2.534 . . . . 1.01 113.03 -170.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 57' ' ' LEU . 5.2 mp -86.26 -40.98 14.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.888 -1.051 . . . . 2.15 109.332 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt . . . . . 0 C--O 1.252 1.223 0 CA-C-N 115.387 -0.824 . . . . 3.7 110.235 171.352 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 39.6 mmtm . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.15 0.5 . . . . 5.09 110.408 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 31.2 Cg_exo -60.2 -50.57 7.03 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.713 2.942 . . . . 1.85 113.306 -174.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -121.3 87.82 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.063 0.459 . . . . 1.69 110.066 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.2 t -97.81 99.17 10.49 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.883 -0.599 . . . . 1.39 109.695 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 36' ' ' GLU . 53.6 t -77.94 105.12 8.93 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.536 -0.757 . . . . 0.93 109.682 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -68.02 -26.38 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 4.92 110.305 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.518 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 7.7 tp10 -54.63 -46.66 73.94 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.653 -0.703 . . . . 2.64 111.453 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 27.5 p -115.16 -0.36 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.89 111.342 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 m 65.03 19.85 11.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.481 -0.782 . . . . 1.35 111.796 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -101.25 148.86 24.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 2.95 109.916 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.19 136.65 54.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.874 0.368 . . . . 0.46 111.146 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.401 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 44.3 m-85 -127.51 155.61 43.49 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.007 -0.738 . . . . 0.96 109.007 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.3 p -110.03 -7.17 14.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.098 0.475 . . . . 1.65 110.449 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -120.94 125.23 27.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.619 -0.719 . . . . 1.54 110.968 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.568 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 34.1 Cg_exo -60.15 -26.01 81.42 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.596 2.864 . . . . 0.52 113.546 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.92 -24.88 20.05 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.156 0.503 . . . . 0.35 110.541 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.06 -47.66 57.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.778 -0.646 . . . . 0.31 109.747 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 44' ' ' PRO . 28.4 p -67.92 -25.21 65.36 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.605 -0.725 . . . . 1.02 109.365 174.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 41.8 tttp -64.33 -48.52 75.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.011 -0.541 . . . . 2.37 109.679 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 53' ' ' THR . . . -61.17 -43.57 98.68 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.512 0.672 . . . . 0.31 110.013 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -64.02 -49.39 72.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.744 -1.116 . . . . 0.81 111.471 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 62.4 mm-40 -66.09 -30.64 71.19 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.998 0.428 . . . . 3.27 111.041 -177.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 30.1 mtpp -64.7 -21.29 66.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.026 -0.533 . . . . 2.9 111.196 173.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 49' ' ' ALA . 33.1 p -88.92 -20.16 24.89 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.212 -0.595 . . . . 0.58 110.55 175.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 1.6 m-70 -61.0 -41.39 96.41 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.359 0.6 . . . . 1.0 110.24 172.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.7 m -121.43 88.65 46.36 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.232 -0.895 . . . . 1.4 109.191 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.05 135.51 69.06 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.229 2.62 . . . . 1.01 113.133 -174.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -87.84 2.79 50.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.694 -0.685 . . . . 2.15 109.715 177.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.25 1.086 0 CA-C-N 115.237 -0.892 . . . . 3.7 110.242 178.101 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 mttt . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.808 -0.441 . . . . 5.09 109.808 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -49.83 -52.99 7.8 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.631 2.221 . . . . 1.85 113.423 -169.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -147.93 94.01 2.27 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.467 0.48 . . . . 1.69 110.42 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -100.93 99.76 10.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.165 -0.471 . . . . 1.39 110.155 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.14 136.42 55.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.871 -0.604 . . . . 0.93 109.93 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -90.15 -35.59 15.31 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.89 -0.595 . . . . 4.92 111.96 -170.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -33.14 56.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.03 0.381 . . . . 2.64 112.03 -173.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' HB3' ' HE1' ' A' ' 54' ' ' HIS . 19.5 p -110.1 -2.2 17.08 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 119.857 -0.737 . . . . 0.89 111.209 -177.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.2 m 65.28 14.52 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.409 -0.814 . . . . 1.35 111.96 175.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -100.51 121.92 42.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.843 0.354 . . . . 2.95 110.519 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.09 143.1 27.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.948 -0.569 . . . . 0.46 110.853 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -123.46 142.63 50.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.23 0.538 . . . . 0.96 110.8 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 p -84.49 -16.17 43.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.551 -0.75 . . . . 1.65 110.483 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -121.63 124.37 27.17 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.621 -0.718 . . . . 1.54 110.462 -173.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -59.64 -31.81 94.91 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 123.159 2.573 . . . . 0.52 112.879 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.78 -21.94 29.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.28 0.562 . . . . 0.35 110.185 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.3 -40.26 70.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.504 -0.771 . . . . 0.31 109.248 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.468 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 48.1 t -72.21 -25.61 61.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.615 -0.72 . . . . 1.02 109.728 174.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 48' ' ' LYS . 19.9 ttmm -72.17 -40.32 68.03 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.344 0.592 . . . . 2.37 110.48 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.587 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . . . -65.12 -32.46 74.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.753 0.787 . . . . 0.31 109.334 173.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -72.09 -27.49 62.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.735 -1.121 . . . . 0.81 110.717 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 48.4 mt-10 -58.25 -37.83 75.68 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.052 -0.722 . . . . 3.27 109.052 172.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' A' ' 49' ' ' ALA . 49.7 mtmt -76.28 -9.46 58.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.213 -0.903 . . . . 2.9 111.68 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.5 p -92.83 -23.89 18.68 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.359 -0.536 . . . . 0.58 110.359 174.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.402 ' HE1' ' HB3' ' A' ' 37' ' ' CYS . 3.4 m-70 -77.2 -40.41 45.3 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.246 -0.649 . . . . 1.0 109.246 172.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 m -111.97 87.74 9.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.114 -0.698 . . . . 1.4 109.114 172.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.06 144.19 70.21 Favored 'Trans proline' 0 N--CA 1.477 0.545 0 C-N-CA 123.855 3.037 . . . . 1.01 113.911 -170.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 52' ' ' LYS . 2.1 mm? -72.8 -30.32 63.98 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.284 -0.871 . . . . 2.15 110.516 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.617 -0.706 . . . . 3.7 109.586 176.045 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.719 -0.474 . . . . 5.09 109.719 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.745 ' HG2' ' HA ' ' A' ' 42' ' ' SER . 6.4 Cg_endo -48.47 -50.94 11.14 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 123.567 2.845 . . . . 1.85 113.627 -170.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -127.2 82.54 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.096 0.474 . . . . 1.69 110.611 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 p -93.76 136.9 33.57 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.757 -0.656 . . . . 1.39 110.669 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.4 t -129.4 102.82 6.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.97 -0.559 . . . . 0.93 110.114 -175.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -64.2 -32.87 74.62 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.778 0.288 . . . . 4.92 111.778 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -51.17 -46.39 62.05 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 122.972 0.509 . . . . 2.64 111.908 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 27.2 p -110.72 -0.43 17.09 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.727 -0.389 . . . . 0.89 111.061 -177.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 m 66.98 17.39 10.5 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.57 -0.741 . . . . 1.35 111.468 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 74.8 mmtt -101.2 154.67 18.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.988 0.423 . . . . 2.95 110.797 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.59 132.02 20.87 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.761 -0.654 . . . . 0.46 109.855 177.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.574 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 85.0 m-85 -124.76 150.73 45.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.068 0.461 . . . . 0.96 110.844 -176.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.745 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 7.7 m -102.42 -2.3 29.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.632 -0.713 . . . . 1.65 110.137 -178.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 16.5 m-20 -111.59 124.3 32.83 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.671 -0.695 . . . . 1.54 109.949 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 32.4 Cg_exo -58.29 -34.85 99.01 Favored 'Trans proline' 0 CA--C 1.521 -0.147 0 C-N-CA 123.583 2.856 . . . . 0.52 113.216 -175.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.4 -23.9 20.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.835 0.35 . . . . 0.35 110.626 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -67.9 -45.65 73.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.698 -0.482 . . . . 0.31 109.698 176.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.574 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 42.6 t -67.49 -35.73 79.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.706 -0.679 . . . . 1.02 109.363 174.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 54.8 tttp -65.96 -29.86 70.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.648 -0.705 . . . . 2.37 110.634 -177.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.66 -50.81 19.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.301 0.572 . . . . 0.31 110.295 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -59.94 -46.21 90.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.284 -0.871 . . . . 0.81 111.399 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -65.03 -25.18 67.73 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.237 0.541 . . . . 3.27 110.834 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.803 ' HD2' HD11 ' A' ' 57' ' ' LEU . 30.9 mtmm -69.78 -16.08 63.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.865 -0.607 . . . . 2.9 111.669 172.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.3 p -84.77 -27.66 26.74 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.088 -0.645 . . . . 0.58 109.765 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -61.33 -41.75 97.55 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.212 0.529 . . . . 1.0 110.068 172.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 p -123.06 89.76 50.63 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.797 -0.638 . . . . 1.4 109.484 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.24 145.93 25.35 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.4 2.734 . . . . 1.01 113.051 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.803 HD11 ' HD2' ' A' ' 52' ' ' LYS . 2.2 mm? -67.96 -19.33 64.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.392 -0.822 . . . . 2.15 111.272 -176.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.0 mttp . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.711 -0.661 . . . . 3.7 109.677 175.864 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.475 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.684 -0.487 . . . . 5.09 109.684 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 49.3 Cg_exo -56.3 -35.98 96.46 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.818 3.012 . . . . 1.85 113.701 -170.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 44' ' ' PRO . 91.1 m-85 -128.51 126.02 39.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.764 -0.458 . . . . 1.69 109.764 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.55 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 49.9 m -136.3 126.64 26.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.179 0.514 . . . . 1.39 111.413 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.8 t -80.69 82.51 6.68 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.742 -0.836 . . . . 0.93 108.742 173.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -55.35 -23.34 23.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 4.92 111.944 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.616 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 2.2 mm-40 -59.31 -38.13 79.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.457 -0.338 . . . . 2.64 110.896 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.6 p -127.85 1.42 6.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.104 0.478 . . . . 0.89 111.383 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.4 t 71.2 25.24 3.64 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.287 -0.87 . . . . 1.35 111.891 176.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -100.87 120.78 40.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.687 0.28 . . . . 2.95 110.57 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -95.84 158.99 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.914 0.387 . . . . 0.46 111.681 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -139.78 156.59 46.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.83 -0.623 . . . . 0.96 110.545 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.1 m -104.64 -4.42 22.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.902 -0.59 . . . . 1.65 109.879 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.459 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 14.4 m-20 -117.38 122.6 30.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.713 -0.676 . . . . 1.54 110.015 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 19.6 Cg_endo -60.22 -33.76 94.52 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.29 2.66 . . . . 0.52 113.335 -177.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.01 -25.83 24.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.35 110.208 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -67.51 -39.04 85.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.141 -0.689 . . . . 0.31 109.141 174.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 39.9 t -68.18 -37.1 80.6 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.153 -0.931 . . . . 1.02 109.892 173.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -65.96 -39.05 90.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.183 0.516 . . . . 2.37 110.587 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 53' ' ' THR . . . -69.62 -41.05 76.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.767 -0.651 . . . . 0.31 109.602 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -64.51 -43.27 94.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.801 -1.091 . . . . 0.81 111.07 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 44.1 mt-10 -58.26 -39.42 79.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.346 0.593 . . . . 3.27 110.301 176.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HB3' HD21 ' A' ' 57' ' ' LEU . 32.3 mmmt -83.24 9.91 9.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.691 -0.686 . . . . 2.9 112.534 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 49' ' ' ALA . 69.8 p -96.72 -24.51 15.92 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.689 -0.856 . . . . 0.58 108.689 166.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.616 ' CE1' ' HB2' ' A' ' 36' ' ' GLU . 11.0 m-70 -74.09 -36.91 64.3 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 108.816 -0.809 . . . . 1.0 108.816 169.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.0 t -107.33 86.35 2.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 114.992 -1.003 . . . . 1.4 109.0 172.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 54' ' ' HIS . 73.2 Cg_exo -51.82 138.2 51.13 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.304 2.669 . . . . 1.01 113.222 -173.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 52' ' ' LYS . 28.4 mt -65.85 -33.28 75.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.054 -0.975 . . . . 2.15 110.822 -178.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 58' ' ' LYS . 8.0 mtpm? . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.629 -0.7 . . . . 3.7 109.978 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 1.037 ' HG3' ' HA ' ' A' ' 42' ' ' SER . 73.9 mmtt . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 110.021 -0.363 . . . . 5.09 110.021 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.83 19.35 1.14 Allowed 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 123.0 2.467 . . . . 1.85 113.132 -177.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -103.67 106.02 16.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.74 -0.467 . . . . 1.69 109.74 -178.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.3 m -124.66 131.7 53.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.388 0.613 . . . . 1.39 111.375 -175.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.436 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 1.9 t -94.57 82.02 3.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.183 -0.917 . . . . 0.93 108.875 178.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -46.3 -43.05 15.47 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.939 0.718 . . . . 4.92 112.939 -173.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.521 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 12.6 mm-40 -61.97 -30.52 70.98 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.4 0.519 . . . . 2.64 112.4 -173.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 14.6 p -124.28 6.11 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.285 -0.566 . . . . 0.89 111.231 -174.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.5 p 54.66 33.01 18.38 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.825 1.25 . . . . 1.35 113.596 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 5.8 tmtt? -101.34 157.52 16.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.475 -0.565 . . . . 2.95 109.475 174.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.18 149.53 46.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.679 0.276 . . . . 0.46 110.743 176.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' A' ' 34' ' ' CYS . 59.1 m-85 -113.76 137.42 51.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.362 -0.381 . . . . 0.96 110.976 -175.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 1.037 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 19.1 p -90.21 -7.89 52.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.906 -0.588 . . . . 1.65 110.722 176.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 30.7 m-20 -123.94 133.86 24.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.036 -0.529 . . . . 1.54 110.612 -178.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 21.1 Cg_exo -66.07 -28.98 48.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.244 2.629 . . . . 0.52 112.745 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.04 -24.46 26.36 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.027 0.441 . . . . 0.35 109.93 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.98 -38.87 92.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.736 -0.665 . . . . 0.31 109.754 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 47.3 t -67.08 -40.3 86.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.701 -0.682 . . . . 1.02 109.673 173.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 84.0 tttt -63.41 -49.85 72.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.533 -0.758 . . . . 2.37 110.701 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.66 -33.69 76.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.45 -0.796 . . . . 0.31 110.425 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -78.24 -28.33 47.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.658 -0.701 . . . . 0.81 110.752 -177.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 37.6 mt-10 -56.41 -35.81 68.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.749 0.785 . . . . 3.27 109.195 169.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 62.1 mmtt -82.59 -7.47 59.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.773 -1.103 . . . . 2.9 111.591 -177.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.2 p -99.65 -32.74 10.92 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.756 -0.378 . . . . 0.58 111.1 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 36' ' ' GLU . 3.0 m-70 -72.08 -35.81 69.35 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.28 0.562 . . . . 1.0 109.559 173.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.3 t -119.43 88.41 38.25 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.307 -0.997 . . . . 1.4 108.307 170.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.465 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 18.0 Cg_exo -66.97 140.08 53.49 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 123.224 2.616 . . . . 1.01 113.846 -170.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -110.49 -41.83 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.181 -0.918 . . . . 2.15 108.795 172.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp . . . . . 0 C--O 1.245 0.824 0 CA-C-N 115.004 -0.998 . . . . 3.7 109.845 175.124 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HB2' ' OG ' ' A' ' 33' ' ' SER . 61.7 mttp . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 109.458 -0.571 . . . . 5.09 109.458 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.497 ' HG2' ' HA ' ' A' ' 42' ' ' SER . 18.3 Cg_endo -58.58 -41.26 66.22 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.6 2.866 . . . . 1.85 113.406 -170.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.467 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 95.6 m-85 -119.14 72.52 0.9 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.473 0.654 . . . . 1.69 110.714 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.415 ' OG ' ' HB2' ' A' ' 30' ' ' LYS . 62.2 m -84.63 100.83 11.69 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.047 -0.979 . . . . 1.39 110.174 177.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.47 ' SG ' ' HB3' ' A' ' 36' ' ' GLU . 47.5 t -97.22 108.1 20.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.055 -0.52 . . . . 0.93 110.453 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 35' ' ' ARG . 39.1 mtm180 -79.25 -14.04 59.29 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.882 -0.327 . . . . 4.92 111.13 -179.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 9.3 tp10 -61.32 -43.59 98.62 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.216 0.531 . . . . 2.64 110.885 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 25.4 p -113.59 0.19 14.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.833 -0.621 . . . . 0.89 110.088 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 m 68.2 11.25 8.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.233 -0.894 . . . . 1.35 111.749 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 62.2 mttp -102.75 142.43 33.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.356 -0.383 . . . . 2.95 110.646 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.22 128.42 52.41 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.213 -0.449 . . . . 0.46 110.445 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.544 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 79.4 m-85 -113.31 154.04 27.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.34 -0.391 . . . . 0.96 110.468 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.497 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -111.09 -5.25 14.81 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.942 -0.572 . . . . 1.65 109.662 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.471 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 7.7 m-20 -106.02 120.24 49.59 Favored Pre-proline 0 C--O 1.234 0.265 0 CA-C-N 115.751 -0.659 . . . . 1.54 109.503 178.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 52.6 Cg_exo -55.99 -34.89 93.5 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.663 2.909 . . . . 0.52 113.582 -174.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.2 -23.8 21.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.874 0.369 . . . . 0.35 110.902 -176.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -71.98 -40.86 68.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.713 -0.477 . . . . 0.31 109.713 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 51.9 t -69.61 -34.21 73.76 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.784 -0.644 . . . . 1.02 109.6 173.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.672 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 47.9 tttp -64.92 -50.3 67.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.962 -0.563 . . . . 2.37 109.966 -177.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 53' ' ' THR . . . -62.04 -42.6 99.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.347 0.594 . . . . 0.31 110.252 -178.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -62.77 -48.08 80.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.073 -0.967 . . . . 0.81 111.278 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 56.7 mm-40 -67.54 -32.37 73.1 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.924 0.392 . . . . 3.27 111.381 -177.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 32.6 mmmt -55.97 -37.23 68.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.057 -0.52 . . . . 2.9 110.796 172.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 49' ' ' ALA . 28.9 p -78.02 -24.63 47.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.602 -0.272 . . . . 0.58 111.463 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -58.82 -43.02 90.53 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.171 0.51 . . . . 1.0 110.396 176.158 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 t -113.44 78.07 3.4 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 107.786 -1.19 . . . . 1.4 107.786 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.94 119.45 6.62 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.775 2.317 . . . . 1.01 112.714 -168.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 57' ' ' LEU . 2.2 mm? -81.93 -42.48 19.42 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.333 -0.988 . . . . 2.15 108.333 174.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' A' ' 58' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.244 0.788 0 CA-C-N 114.952 -1.022 . . . . 3.7 109.944 173.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.3 pttm . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.91 0.386 . . . . 5.09 110.772 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.85 -27.35 5.99 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.658 2.239 . . . . 1.85 112.336 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -136.82 148.43 47.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.488 -0.56 . . . . 1.69 109.488 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.557 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 10.4 t -148.45 154.5 39.96 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.238 0.542 . . . . 1.39 110.655 -178.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.7 t -104.8 103.55 13.18 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.96 -0.756 . . . . 0.93 108.96 176.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -59.72 -44.46 93.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.571 -0.74 . . . . 4.92 111.387 -172.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.31 -37.37 85.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.275 -0.875 . . . . 2.64 113.279 -172.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.4 p -115.32 -3.08 12.5 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.574 -0.85 . . . . 0.89 111.852 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t 72.41 21.12 3.81 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.585 0.754 . . . . 1.35 112.509 172.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -101.41 137.95 39.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.119 -0.363 . . . . 2.95 110.029 175.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -108.03 159.39 16.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.991 0.424 . . . . 0.46 111.867 -176.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.61 147.84 45.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.681 -0.69 . . . . 0.96 110.604 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.8 p -96.35 -8.48 32.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.982 -0.554 . . . . 1.65 110.698 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.447 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 9.7 m-20 -113.53 128.72 25.38 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 1.54 110.52 -177.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 43' ' ' ASP . 24.5 Cg_exo -63.13 -35.12 66.41 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.464 2.776 . . . . 0.52 113.162 -176.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.84 -21.47 23.69 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.935 0.398 . . . . 0.35 110.104 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -69.12 -39.05 79.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.259 -0.645 . . . . 0.31 109.259 173.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 45.1 t -68.43 -38.88 81.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.526 -0.761 . . . . 1.02 109.763 174.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -64.12 -43.4 95.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.043 0.449 . . . . 2.37 110.465 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 52' ' ' LYS . . . -69.09 -32.18 71.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.517 0.675 . . . . 0.31 110.208 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -69.7 -39.39 76.94 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.061 -0.972 . . . . 0.81 110.264 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 46.0 mt-10 -64.79 -24.62 67.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.543 0.687 . . . . 3.27 110.313 176.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 29.4 mmtp -72.85 -21.32 60.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.188 -0.914 . . . . 2.9 111.176 175.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.6 p -87.7 -29.14 21.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.369 -0.532 . . . . 0.58 111.335 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -75.51 -17.99 59.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.333 0.587 . . . . 1.0 109.95 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 m -118.61 76.19 13.28 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.631 -0.878 . . . . 1.4 108.631 169.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.8 119.65 6.99 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 122.682 2.255 . . . . 1.01 112.716 -171.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.47 ' HB2' ' HD2' ' A' ' 58' ' ' LYS . 1.9 mm? -88.65 -34.48 17.23 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.226 -0.657 . . . . 2.15 109.226 176.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.244 0.799 0 CA-C-O 118.208 -0.901 . . . . 3.7 109.717 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.454 ' HD3' ' CB ' ' A' ' 40' ' ' ALA . 60.4 mttp . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.55 -0.537 . . . . 5.09 109.55 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.574 ' HG2' ' HA ' ' A' ' 42' ' ' SER . 57.5 Cg_exo -52.74 -43.12 58.32 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.817 3.011 . . . . 1.85 113.014 -175.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -130.8 129.87 42.96 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.931 -0.766 . . . . 1.69 108.931 174.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.7 m -126.45 98.83 5.58 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.227 -0.442 . . . . 1.39 110.477 -177.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.4 t -77.2 89.05 3.66 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.643 -0.873 . . . . 0.93 108.643 174.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -74.59 -6.46 48.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.204 -0.453 . . . . 4.92 110.582 -175.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.39 -47.35 76.64 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.841 -0.618 . . . . 2.64 110.495 173.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 39' ' ' LYS . 21.7 p -107.6 -2.8 19.92 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.33 0.586 . . . . 0.89 110.185 177.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 t 68.51 19.23 8.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.626 -1.17 . . . . 1.35 111.008 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.517 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 64.3 mttp -101.34 121.03 41.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.913 -0.403 . . . . 2.95 109.913 176.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' CB ' ' HD3' ' A' ' 30' ' ' LYS . . . -105.51 149.6 26.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.138 -0.483 . . . . 0.46 110.597 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.59 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 96.1 m-85 -137.94 148.13 44.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.96 110.636 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.574 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 39.1 p -88.11 -15.0 37.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.641 -0.709 . . . . 1.65 110.956 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 45.1 m-20 -107.63 118.68 52.63 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.398 -0.365 . . . . 1.54 110.025 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 31.4 Cg_exo -59.9 -28.65 87.65 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 123.547 2.831 . . . . 0.52 113.718 -176.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.64 -22.53 21.15 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.524 -0.47 . . . . 0.35 110.585 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 43' ' ' ASP . . . -69.36 -43.44 73.6 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.045 -0.525 . . . . 0.31 109.629 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.59 ' HB3' ' HB2' ' A' ' 41' ' ' PHE . 7.4 p -71.26 -29.13 64.71 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.754 -0.657 . . . . 1.02 110.143 175.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 1.5 tmtp? -66.31 -43.43 86.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.899 -0.592 . . . . 2.37 109.621 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.81 -34.45 77.83 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.475 0.655 . . . . 0.31 110.047 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -68.35 -42.0 79.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.282 -0.872 . . . . 0.81 110.998 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 28.7 mm-40 -67.05 -24.86 66.03 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.475 0.655 . . . . 3.27 110.386 178.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 33.9 mtpt -71.56 -14.81 62.2 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.426 -0.806 . . . . 2.9 111.37 172.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.5 p -87.08 -20.9 26.45 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 119.827 -0.749 . . . . 0.58 109.655 173.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.512 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 31.3 m-70 -62.05 -34.26 75.92 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 109.185 -0.672 . . . . 1.0 109.185 169.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.8 p -115.85 79.72 8.17 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.401 -0.818 . . . . 1.4 109.691 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -45.69 131.91 13.11 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 124.224 3.282 . . . . 1.01 113.951 -170.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 mp -75.73 -41.59 52.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.382 -0.826 . . . . 2.15 109.344 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.379 -0.819 . . . . 3.7 109.774 171.695 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 57.9 mttp . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 109.961 -0.385 . . . . 5.09 109.961 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 12.2 Cg_exo -70.89 -16.52 32.8 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.215 2.61 . . . . 1.85 113.288 -173.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -117.47 81.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.277 0.561 . . . . 1.69 110.82 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.1 t -100.95 99.07 9.48 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.523 -0.762 . . . . 1.39 109.964 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 43.2 t -78.65 107.65 11.49 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.214 -0.661 . . . . 0.93 109.214 176.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -71.72 -32.08 67.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.554 -0.294 . . . . 4.92 111.017 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -57.54 -50.19 73.9 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.948 -0.569 . . . . 2.64 112.002 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.7 p -101.84 -4.18 26.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.361 0.6 . . . . 0.89 110.044 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.1 m 67.53 15.46 9.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.755 -1.112 . . . . 1.35 111.963 177.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -100.8 119.71 39.05 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.82 -0.437 . . . . 2.95 109.82 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.95 146.53 25.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.363 -0.38 . . . . 0.46 110.416 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.553 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 61.2 m-85 -128.14 155.2 44.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.249 -0.432 . . . . 0.96 110.51 177.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 p -106.38 -4.56 19.82 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.833 -0.621 . . . . 1.65 110.234 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.465 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 39.9 m-20 -106.6 116.61 58.68 Favored Pre-proline 0 N--CA 1.451 -0.407 0 N-CA-C 109.272 -0.64 . . . . 1.54 109.272 177.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.85 -34.21 90.77 Favored 'Trans proline' 0 CA--C 1.52 -0.177 0 C-N-CA 123.578 2.852 . . . . 0.52 113.682 -174.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.521 ' HA ' ' HB3' ' A' ' 48' ' ' LYS . . . -90.36 -21.74 21.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.35 110.765 -176.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -70.53 -42.72 70.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.324 0.583 . . . . 0.31 109.513 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.553 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 42.5 t -68.83 -34.64 75.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.45 -0.796 . . . . 1.02 109.558 173.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.521 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 1.8 tmtp? -66.91 -45.12 78.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.951 -0.568 . . . . 2.37 110.588 -177.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.68 -43.32 84.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.26 0.552 . . . . 0.31 110.189 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -62.05 -43.18 99.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.125 -0.943 . . . . 0.81 111.507 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 49.8 mm-40 -68.96 -28.92 67.06 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.239 0.542 . . . . 3.27 111.408 -178.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HE2' HD11 ' A' ' 57' ' ' LEU . 58.0 mtpt -70.23 -14.73 62.75 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.781 -0.645 . . . . 2.9 111.555 174.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.6 p -90.64 -19.73 23.32 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.384 -0.526 . . . . 0.58 110.33 172.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.518 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 8.9 m-70 -60.69 -40.98 94.19 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.213 0.53 . . . . 1.0 109.786 170.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -102.59 90.32 2.16 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.289 -0.868 . . . . 1.4 109.052 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -50.63 118.94 4.54 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.177 2.585 . . . . 1.01 112.758 -170.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.575 HD11 ' HE2' ' A' ' 52' ' ' LYS . 85.4 mt -76.57 -40.25 50.22 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.037 -0.983 . . . . 2.15 110.84 -178.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' NZ ' ' HB2' ' A' ' 58' ' ' LYS . 9.6 mtmp? . . . . . 0 C--O 1.25 1.128 0 CA-C-N 114.945 -1.025 . . . . 3.7 110.37 176.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.8 mttt . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.915 0.388 . . . . 5.09 109.978 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -61.51 -43.01 29.63 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.165 2.577 . . . . 1.85 112.906 -174.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -105.41 110.13 22.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.364 -0.606 . . . . 1.69 109.364 -176.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -131.26 118.84 20.95 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.972 0.415 . . . . 1.39 111.059 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.523 ' SG ' ' CD2' ' A' ' 50' ' ' HIS . 0.5 OUTLIER -77.49 85.09 3.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.269 -1.012 . . . . 0.93 108.269 172.672 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -49.85 -45.89 50.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.964 -1.017 . . . . 4.92 113.473 -170.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.818 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 1.4 pm0 -71.28 -18.22 62.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.767 0.655 . . . . 2.64 112.767 -172.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.818 ' SG ' ' HG2' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -137.77 23.82 2.87 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.128 0.418 . . . . 0.89 112.128 -174.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 p 48.54 28.06 1.64 Allowed 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.439 1.274 . . . . 1.35 114.439 170.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 37' ' ' CYS . 42.4 mmtm -102.69 103.18 13.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.037 -0.414 . . . . 2.95 111.26 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.05 152.24 18.5 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.993 -0.283 . . . . 0.46 110.612 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -135.04 157.0 48.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.126 -0.488 . . . . 0.96 110.625 -178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.6 t -108.12 -10.73 15.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.612 -0.722 . . . . 1.65 109.188 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 12.9 m-20 -102.77 118.95 57.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.436 -0.802 . . . . 1.54 109.893 178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.97 -32.86 94.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 123.035 2.49 . . . . 0.52 112.801 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.18 -23.48 30.55 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.209 0.528 . . . . 0.35 110.329 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 43' ' ' ASP . . . -69.37 -43.4 73.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.7 -0.682 . . . . 0.31 109.561 175.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.0 t -72.12 -24.28 61.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.678 -0.692 . . . . 1.02 109.627 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -69.73 -47.78 61.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.054 -0.521 . . . . 2.37 110.005 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.86 -39.57 79.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.753 -0.658 . . . . 0.31 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.523 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 17.2 t60 -65.4 -33.08 75.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.767 -0.651 . . . . 0.81 110.282 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -66.95 -32.27 73.4 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.011 0.434 . . . . 3.27 110.204 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' HD2' HD11 ' A' ' 57' ' ' LEU . 74.5 mmtt -71.15 -25.4 62.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.021 -0.536 . . . . 2.9 110.932 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.2 p -84.2 -8.6 59.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.962 0.41 . . . . 0.58 111.144 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -102.36 8.7 40.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.552 0.691 . . . . 1.0 109.575 170.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.1 m -149.83 69.12 9.19 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.145 -0.934 . . . . 1.4 108.676 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -53.75 119.48 6.32 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.28 2.654 . . . . 1.01 113.297 -171.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.492 HD11 ' HD2' ' A' ' 52' ' ' LYS . 5.9 mp -72.2 -41.58 66.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.379 -0.828 . . . . 2.15 109.431 177.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.248 0.982 0 CA-C-N 115.389 -0.823 . . . . 3.7 109.413 174.219 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 mttp . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 110.164 -0.31 . . . . 5.09 110.164 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.489 ' O ' ' HB1' ' A' ' 40' ' ' ALA . 61.2 Cg_endo -74.02 -21.55 18.14 Favored 'Trans proline' 0 N--CA 1.466 -0.117 0 C-N-CA 122.471 2.114 . . . . 1.85 112.223 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.444 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 77.0 m-85 53.87 63.47 2.18 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.746 0.784 . . . . 1.69 110.592 -178.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -76.02 99.84 4.72 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.442 -1.253 . . . . 1.39 110.831 -178.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.5 t -72.38 124.31 24.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.78 -0.645 . . . . 0.93 110.38 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 35' ' ' ARG . 1.7 ptm180 -77.01 -20.43 56.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.355 -0.384 . . . . 4.92 111.902 -176.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.495 ' HG2' ' CD2' ' A' ' 54' ' ' HIS . 8.9 tp10 -73.94 -50.45 19.99 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 120.62 0.248 . . . . 2.64 111.342 -175.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 39' ' ' LYS . 28.3 p -104.34 -1.98 26.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.09 0.472 . . . . 0.89 110.593 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.5 m 66.08 11.72 7.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.037 -0.983 . . . . 1.35 111.179 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 56.2 tptt -101.08 131.97 46.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 2.95 110.374 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 31' ' ' PRO . . . -101.92 145.65 28.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.555 -0.293 . . . . 0.46 110.4 176.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.559 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 56.1 m-85 -128.99 122.39 29.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.373 -0.376 . . . . 0.96 110.575 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 p -78.5 11.8 2.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.13 -0.486 . . . . 1.65 111.485 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.524 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 26.9 m-20 -125.98 112.02 24.42 Favored Pre-proline 0 N--CA 1.453 -0.307 0 N-CA-C 109.233 -0.655 . . . . 1.54 109.233 176.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.37 -29.01 82.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.981 2.454 . . . . 0.52 113.386 -175.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.29 -25.53 20.48 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.812 -0.355 . . . . 0.35 110.693 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -71.42 -41.48 69.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.335 -0.617 . . . . 0.31 109.335 176.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.559 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 36.3 t -66.13 -33.27 75.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.111 -0.949 . . . . 1.02 109.166 174.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 48' ' ' LYS . 35.2 ttpt -63.64 -48.76 75.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 2.37 110.407 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 53' ' ' THR . . . -65.59 -41.28 92.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.454 0.645 . . . . 0.31 110.433 -178.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -64.97 -45.42 85.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.233 -0.894 . . . . 0.81 111.152 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -66.1 -32.73 74.36 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.107 0.479 . . . . 3.27 111.19 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' HB3' HD13 ' A' ' 57' ' ' LEU . 31.3 mmtp -66.13 -16.26 63.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.99 -0.55 . . . . 2.9 111.752 175.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 49' ' ' ALA . 35.2 p -92.19 -20.39 21.25 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.285 -0.566 . . . . 0.58 110.799 176.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.495 ' CD2' ' HG2' ' A' ' 36' ' ' GLU . 2.1 m-70 -62.61 -41.76 99.18 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.357 0.599 . . . . 1.0 109.572 171.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -112.36 91.26 16.04 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 114.96 -1.018 . . . . 1.4 108.654 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -34.4 120.71 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 124.698 3.599 . . . . 1.01 114.508 -171.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.472 HD13 ' HB3' ' A' ' 52' ' ' LYS . 3.6 tp -74.49 -40.6 61.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.706 0.765 . . . . 2.15 109.732 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? . . . . . 0 C--O 1.251 1.157 0 CA-C-N 114.815 -1.084 . . . . 3.7 109.687 175.939 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 110.054 -0.35 . . . . 5.09 110.054 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.88 -22.8 48.32 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.895 2.396 . . . . 1.85 112.617 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -125.04 140.03 53.27 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.732 -0.47 . . . . 1.69 109.732 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.9 m -146.07 128.48 15.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.122 0.487 . . . . 1.39 110.877 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.1 t -74.98 104.02 5.41 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.736 -0.839 . . . . 0.93 108.736 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 35' ' ' ARG . 41.0 mtp180 -62.43 -40.56 96.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.298 -0.41 . . . . 4.92 112.085 -171.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 2.0 pm0 -64.04 -50.23 69.24 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.605 0.594 . . . . 2.64 112.605 -175.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.9 p -104.96 -6.29 20.23 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 119.973 -0.691 . . . . 0.89 111.368 -173.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m 69.42 31.49 3.79 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.159 -0.928 . . . . 1.35 112.421 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -100.13 135.14 42.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.113 -0.699 . . . . 2.95 109.113 173.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.09 154.78 30.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.209 0.528 . . . . 0.46 112.184 -173.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -142.82 158.52 43.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.345 -0.843 . . . . 0.96 109.588 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.0 m -109.89 -5.06 15.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.133 0.492 . . . . 1.65 110.361 175.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.05 120.53 51.99 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 1.54 110.534 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.91 -26.25 82.8 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 123.413 2.742 . . . . 0.52 112.969 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.0 -26.71 22.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.258 0.551 . . . . 0.35 110.264 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.89 -40.88 78.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.718 -0.674 . . . . 0.31 109.349 175.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.7 t -73.05 -22.81 60.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.597 -0.728 . . . . 1.02 109.83 175.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 31.7 tttp -70.11 -45.79 66.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.599 -0.728 . . . . 2.37 109.526 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.32 69.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.75 -0.659 . . . . 0.31 110.107 176.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -65.8 -36.2 82.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.334 -0.848 . . . . 0.81 110.132 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 48' ' ' LYS . 6.3 tp10 -60.55 -33.77 73.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.679 -0.692 . . . . 3.27 110.189 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 99.7 mttt -75.63 -15.0 60.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.439 -0.801 . . . . 2.9 111.701 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.5 p -92.78 -29.01 16.22 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.813 -0.355 . . . . 0.58 111.253 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -84.32 -28.18 27.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.106 0.479 . . . . 1.0 109.817 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.7 t -120.53 78.93 29.17 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 108.205 -1.035 . . . . 1.4 108.205 169.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.508 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 26.9 Cg_exo -61.48 119.32 6.4 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.864 2.376 . . . . 1.01 112.999 -171.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.77 -12.18 58.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.51 0.671 . . . . 2.15 109.331 173.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.331 -0.849 . . . . 3.7 109.764 178.588 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 74.1 mmtt . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 109.958 -0.386 . . . . 5.09 109.958 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -70.09 -25.16 27.38 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.473 2.115 . . . . 1.85 112.554 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -108.61 81.0 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.363 -0.606 . . . . 1.69 109.363 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 p -105.11 117.2 33.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.947 -0.57 . . . . 1.39 111.458 -175.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' A' ' 36' ' ' GLU . 28.8 t -80.06 85.72 5.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.669 -0.863 . . . . 0.93 108.669 175.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.471 ' NE ' ' HA ' ' A' ' 35' ' ' ARG . 2.6 tpm_? -58.08 -29.66 65.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.454 -0.794 . . . . 4.92 111.871 -173.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HG2' ' SG ' ' A' ' 34' ' ' CYS . 1.6 pm0 -68.43 -32.69 72.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.022 0.749 . . . . 2.64 113.022 -175.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.5 p -119.56 -0.4 10.84 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 119.86 -0.736 . . . . 0.89 111.853 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.1 t 78.69 7.08 2.27 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.547 -0.751 . . . . 1.35 112.711 172.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -97.75 134.68 40.59 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.89 -0.506 . . . . 2.95 110.644 176.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.476 ' HB1' ' HB3' ' A' ' 30' ' ' LYS . . . -125.9 151.5 46.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.406 -0.361 . . . . 0.46 111.399 -178.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -131.73 166.08 22.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.076 -0.511 . . . . 0.96 110.071 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t -110.17 -1.23 17.52 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.081 -0.711 . . . . 1.65 109.081 174.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.597 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 7.5 m-20 -99.53 115.53 65.58 Favored Pre-proline 0 N--CA 1.451 -0.421 0 CA-C-N 115.705 -0.68 . . . . 1.54 109.326 178.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.0 -29.78 90.09 Favored 'Trans proline' 0 N--CA 1.466 -0.11 0 C-N-CA 122.933 2.422 . . . . 0.52 112.856 -177.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.39 -25.65 20.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.954 0.406 . . . . 0.35 110.413 -177.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.597 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -70.72 -37.22 73.51 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.068 -0.716 . . . . 0.31 109.068 176.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.96 -26.46 59.61 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.02 -0.991 . . . . 1.02 109.828 174.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -70.23 -40.69 74.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.127 0.489 . . . . 2.37 110.019 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.455 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . . . -70.81 -28.26 64.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.643 0.735 . . . . 0.31 110.039 175.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -75.9 -29.52 58.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.887 -1.051 . . . . 0.81 110.151 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -70.81 -42.96 69.58 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.496 -0.774 . . . . 3.27 110.336 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.483 ' HB2' HD21 ' A' ' 57' ' ' LEU . 19.2 ptpt -76.44 -5.01 45.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.172 -0.467 . . . . 2.9 111.297 -177.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.5 p -94.02 -21.33 19.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.207 -0.308 . . . . 0.58 110.75 173.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -86.02 -40.79 15.43 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.178 0.513 . . . . 1.0 109.782 169.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.8 m -106.94 84.75 1.65 Allowed Pre-proline 0 N--CA 1.448 -0.553 0 CA-C-N 115.491 -0.777 . . . . 1.4 109.141 171.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.06 155.75 69.42 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.582 2.188 . . . . 1.01 112.541 -173.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.483 HD21 ' HB2' ' A' ' 52' ' ' LYS . 2.8 mm? -93.13 1.85 56.97 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.382 -0.826 . . . . 2.15 109.253 177.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm . . . . . 0 C--O 1.248 0.991 0 CA-C-N 115.202 -0.908 . . . . 3.7 109.134 175.173 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.087 0.47 . . . . 5.09 110.183 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.515 ' HD2' ' HA ' ' A' ' 42' ' ' SER . 55.2 Cg_endo -69.72 -27.93 26.05 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.628 2.219 . . . . 1.85 113.251 -174.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -127.9 102.31 6.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.889 0.376 . . . . 1.69 111.22 -176.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.9 m -105.38 117.14 33.26 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.96 -0.564 . . . . 1.39 110.193 175.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.3 t -76.79 92.48 3.59 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.458 -0.571 . . . . 0.93 109.458 176.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -62.81 -20.36 64.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 4.92 110.937 -175.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -63.15 -34.95 78.72 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.811 -0.631 . . . . 2.64 111.466 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.3 p -134.11 5.86 3.59 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.757 -0.377 . . . . 0.89 111.798 -176.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 t 74.65 0.89 3.68 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.56 0.744 . . . . 1.35 112.139 174.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.44 ' HD2' ' HE1' ' A' ' 50' ' ' HIS . 4.7 ttmp? -90.24 127.52 36.16 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.003 -0.436 . . . . 2.95 110.623 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.38 160.3 16.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.854 0.359 . . . . 0.46 111.353 -178.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -141.69 154.47 45.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 0.96 110.7 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.515 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 10.0 t -97.24 -11.63 23.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.7 -0.682 . . . . 1.65 109.55 176.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.437 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 5.3 m-20 -97.62 118.74 63.85 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.886 -0.597 . . . . 1.54 110.421 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.469 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 34.7 Cg_exo -60.59 -29.29 88.19 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 123.163 2.575 . . . . 0.52 113.102 -178.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.12 -22.55 22.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.126 0.489 . . . . 0.35 110.184 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . . . -71.17 -41.05 70.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.862 -0.608 . . . . 0.31 109.845 176.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.94 -23.04 58.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.316 0.579 . . . . 1.02 109.697 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 79.9 tttt -71.68 -47.43 54.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.409 -0.814 . . . . 2.37 109.706 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.23 -24.57 61.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.514 0.673 . . . . 0.31 109.857 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.44 ' HE1' ' HD2' ' A' ' 39' ' ' LYS . 30.2 t60 -63.89 -36.5 84.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.976 -1.011 . . . . 0.81 110.241 176.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -68.05 -38.77 82.84 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.082 0.468 . . . . 3.27 109.884 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.476 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 46.5 mttp -62.5 -24.84 67.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.798 -0.637 . . . . 2.9 111.504 177.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.4 p -88.14 -14.75 37.92 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.737 -0.385 . . . . 0.58 111.855 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -83.37 -39.75 20.29 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.735 -0.469 . . . . 1.0 109.735 172.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -118.25 82.22 18.1 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.423 -0.954 . . . . 1.4 108.423 173.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 52' ' ' LYS . 24.0 Cg_exo -62.97 124.88 14.77 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.273 2.649 . . . . 1.01 113.449 -169.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.429 HD13 ' HG2' ' A' ' 52' ' ' LYS . 6.2 mp -89.84 -41.19 11.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.917 -0.583 . . . . 2.15 109.88 177.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt . . . . . 0 C--O 1.252 1.191 0 CA-C-N 115.557 -0.747 . . . . 3.7 109.496 177.008 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_