data_1yuj_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 1yuj _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.868 -0.419 . . . . 1.46 109.868 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -92.14 11.68 24.7 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 107.94 -1.133 . . . . 2.61 107.94 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.602 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 8.4 t-80 -82.16 -31.59 0.56 Allowed Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.492 -0.755 . . . . 3.96 112.912 -177.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.9 Cg_exo -53.15 154.23 14.43 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.861 1.707 . . . . 1.14 112.158 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.72 164.67 34.65 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.448 2.099 . . . . 1.52 112.467 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.28 37.73 47.58 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 109.509 -1.437 . . . . 1.41 109.509 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 21' ' ' THR . 11.0 t -93.29 85.38 4.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.113 -1.227 . . . . 1.49 108.555 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -81.79 144.36 31.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.943 -1.098 . . . . 2.59 109.286 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -106.67 76.61 0.44 Allowed Pre-proline 0 N--CA 1.495 1.775 0 O-C-N 121.522 -0.736 . . . . 2.78 110.211 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.35 142.71 41.7 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.849 1.7 . . . . 1.04 111.679 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -73.53 -5.85 42.77 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.43 -0.794 . . . . 4.24 109.545 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 m -66.77 -1.87 4.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.036 -1.04 . . . . 1.34 109.194 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -105.7 -27.76 11.12 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.159 -0.963 . . . . 1.23 109.07 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.1 p -101.66 -35.05 9.24 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.484 -0.76 . . . . 1.1 109.049 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -59.55 -39.48 84.13 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.504 -0.747 . . . . 3.48 109.813 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.6 m -60.18 -29.76 68.9 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.232 -0.918 . . . . 1.04 111.28 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' CG ' HH21 ' A' ' 47' ' ' ARG . 81.2 mm-40 -95.15 145.4 25.04 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.86 -1.15 . . . . 1.3 110.185 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -119.05 151.72 50.93 Favored Pre-proline 0 N--CA 1.5 2.04 0 N-CA-C 108.33 -0.989 . . . . 2.67 108.33 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -38.93 156.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.159 0 C-N-CA 121.865 1.71 . . . . 0.74 112.04 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.49 135.99 21.77 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.181 -0.949 . . . . 1.08 110.035 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 m -116.4 149.65 39.06 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.706 -0.621 . . . . 1.17 109.524 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.2 t -88.11 127.24 58.17 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 121.311 -0.868 . . . . 0.42 108.669 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.15 -6.17 17.62 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 121.111 1.208 . . . . 1.16 111.911 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.8 mt -97.2 -55.92 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.236 -0.915 . . . . 1.19 111.118 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.9 p -115.63 15.64 16.54 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.327 -0.858 . . . . 0.5 109.891 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 55.3 19.98 3.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.503 -0.748 . . . . 1.1 111.054 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.33 140.04 57.33 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.332 -1.359 . . . . 1.08 107.332 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.63 111.62 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 O-C-N 120.848 -1.157 . . . . 1.14 110.988 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.441 HD11 HG22 ' A' ' 43' ' ' ILE . 38.0 mm -109.62 129.99 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 N-CA-C 107.758 -1.201 . . . . 1.07 107.758 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -70.86 -56.39 6.4 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.914 -1.116 . . . . 2.82 111.281 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.46 133.22 35.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.331 -0.856 . . . . 1.62 111.032 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -61.99 -36.97 83.1 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.359 -0.838 . . . . 0.93 109.669 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.5 ptp180 -60.17 -43.04 96.15 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.586 -1.321 . . . . 1.04 108.756 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.459 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 96.2 m-20 -64.49 -28.68 69.82 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.325 -0.859 . . . . 0.34 109.381 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.44 -45.33 91.88 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.836 -1.165 . . . . 1.13 109.342 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -58.29 -41.97 85.54 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.983 -1.073 . . . . 3.75 109.196 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -62.05 -37.37 84.71 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.404 -0.81 . . . . 0.51 109.33 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -61.39 -32.87 72.81 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.238 -0.914 . . . . 0.37 108.923 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.7 mt -60.01 -49.26 78.38 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.085 -1.009 . . . . 1.12 109.115 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 14.6 mp0 -70.45 -24.42 62.88 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.085 -1.009 . . . . 2.08 111.05 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.26 -59.66 2.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.657 -1.277 . . . . 1.17 111.681 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.423 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 18.8 mmm180 -103.53 21.03 16.8 Favored 'General case' 0 N--CA 1.511 2.622 0 O-C-N 120.673 -1.267 . . . . 2.91 113.156 -177.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 91.8 m-70 -150.9 -73.26 0.16 Allowed 'General case' 0 N--CA 1.509 2.486 0 O-C-N 119.964 -1.71 . . . . 0.67 110.6 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -84.13 25.16 0.86 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.105 -0.997 . . . . 1.04 110.031 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.421 -0.8 . . . . 1.2 109.83 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.133 0.492 . . . . 1.46 110.735 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -90.44 3.36 54.07 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 109.01 -0.737 . . . . 2.61 109.01 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.578 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 14.2 m-70 -74.71 -30.79 1.08 Allowed Pre-proline 0 N--CA 1.498 1.951 0 O-C-N 121.172 -0.955 . . . . 3.96 113.419 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 63.5 Cg_exo -54.0 144.84 55.2 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 121.493 1.462 . . . . 1.14 112.402 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.99 171.37 18.09 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.46 2.107 . . . . 1.52 112.326 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.18 27.7 65.66 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 110.194 -1.162 . . . . 1.41 110.194 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.8 t -89.72 90.93 8.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.184 -1.186 . . . . 1.49 108.663 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -78.93 140.79 37.99 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.036 -1.04 . . . . 2.59 109.419 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -106.26 74.03 0.32 Allowed Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.711 -0.618 . . . . 2.78 109.715 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.42 148.4 87.99 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 121.675 1.583 . . . . 1.04 111.015 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 25' ' ' ARG . 41.9 mtt-85 -71.08 -6.36 38.58 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.655 -1.278 . . . . 4.24 110.522 -178.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 m -74.01 -0.75 17.32 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.028 -1.045 . . . . 1.34 109.691 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -102.78 -29.1 11.69 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.095 -1.003 . . . . 1.23 110.841 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 p -105.63 -39.69 6.0 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.071 -1.018 . . . . 1.1 110.347 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -64.14 -28.75 69.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.006 -1.059 . . . . 3.48 109.746 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.487 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 48.3 m -59.02 -30.0 67.68 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.322 -0.861 . . . . 1.04 109.582 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -95.95 142.67 27.91 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.299 -1.0 . . . . 1.3 108.299 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.487 ' OE1' ' O ' ' A' ' 30' ' ' SER . 3.7 mp0 -113.25 150.52 43.17 Favored Pre-proline 0 N--CA 1.501 2.077 0 N-CA-C 108.935 -0.765 . . . . 2.67 108.935 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -39.79 154.39 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.16 0 C-N-CA 121.89 1.727 . . . . 0.74 112.081 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.93 132.85 21.27 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.146 -0.972 . . . . 1.08 110.649 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.5 m -112.7 159.78 18.58 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.98 -0.748 . . . . 1.17 108.98 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' TYR . 7.5 t -106.6 103.09 44.94 Favored Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.242 -0.911 . . . . 0.42 110.448 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -54.49 -4.09 0.29 Allowed 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.057 1.838 . . . . 1.16 113.551 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.408 HG22 HD11 ' A' ' 38' ' ' ILE . 62.4 mt -97.43 -53.66 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 120.755 -1.215 . . . . 1.19 110.251 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.5 p -118.27 12.11 13.34 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-O 121.833 0.825 . . . . 0.5 108.848 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' CYS . 80.3 m-85 55.31 19.17 2.86 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 116.122 -0.49 . . . . 1.1 110.725 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.49 140.28 54.26 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.799 -1.188 . . . . 1.08 107.901 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -95.19 114.54 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.199 -0.938 . . . . 1.14 109.65 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 34' ' ' ALA . 30.1 mm -110.93 129.05 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 107.002 -1.481 . . . . 1.07 107.002 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -74.13 -62.96 1.33 Allowed 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 117.931 -1.507 . . . . 2.82 109.652 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -76.25 138.33 40.51 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.276 -0.89 . . . . 1.62 110.915 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.6 p -68.1 -35.13 77.65 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.406 -0.809 . . . . 0.93 110.57 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 12.6 ptp180 -58.95 -39.75 82.61 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.817 -1.177 . . . . 1.04 108.179 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 97.9 m-20 -64.77 -31.37 72.57 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.609 -0.682 . . . . 0.34 109.332 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.35 -43.04 88.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 1.13 108.927 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -59.41 -40.69 87.48 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.295 -1.002 . . . . 3.75 108.295 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -67.42 -36.4 81.17 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.964 -0.694 . . . . 0.51 109.479 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -65.7 -38.72 89.99 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.564 -0.71 . . . . 0.37 109.833 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' PHE . 94.0 mt -59.67 -41.67 91.14 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.002 -1.061 . . . . 1.12 109.376 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 70.1 mm-40 -73.27 -24.72 60.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.408 -0.807 . . . . 2.08 111.715 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.3 mt -85.69 -42.92 13.85 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.431 -1.418 . . . . 1.17 113.093 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.563 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.7 mmm180 -107.15 -0.29 22.88 Favored 'General case' 0 N--CA 1.506 2.351 0 O-C-N 120.858 -1.152 . . . . 2.91 112.725 -176.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 32.6 m-70 -145.64 -65.73 0.31 Allowed 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.536 -1.352 . . . . 0.67 111.532 -178.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' LEU . 54.0 m-85 -81.97 20.08 1.04 Allowed 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.004 -1.06 . . . . 1.04 110.24 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 107.929 -1.137 . . . . 1.2 107.929 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 120.974 0.416 . . . . 1.46 110.102 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -95.12 9.21 40.46 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.333 -0.855 . . . . 2.61 108.925 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.6 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 14.0 m-70 -84.03 -31.8 0.49 Allowed Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.479 -0.763 . . . . 3.96 112.886 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 61.4 Cg_exo -52.31 139.24 54.85 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 121.695 1.596 . . . . 1.14 112.177 -178.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.79 177.95 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.11 1.207 . . . . 1.52 111.54 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.98 26.09 69.79 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 120.178 -1.011 . . . . 1.41 110.976 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.494 ' O ' ' CG2' ' A' ' 21' ' ' THR . 14.6 t -90.93 97.53 11.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.76 -1.435 . . . . 1.49 109.218 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -82.25 149.7 27.7 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.277 -0.89 . . . . 2.59 109.964 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -107.07 76.03 0.45 Allowed Pre-proline 0 N--CA 1.505 2.275 0 O-C-N 121.354 -0.841 . . . . 2.78 110.025 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -74.38 134.84 19.49 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.879 1.72 . . . . 1.04 112.726 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -74.92 -14.41 60.64 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.394 -0.816 . . . . 4.24 109.325 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.7 m -71.78 -11.65 60.92 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.885 -1.134 . . . . 1.34 110.889 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.444 HH11 ' HG2' ' A' ' 27' ' ' ARG . 1.1 mmt-85 -95.64 -13.57 24.2 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.808 -1.183 . . . . 1.23 111.493 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 p -108.96 -43.46 4.2 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.034 -1.041 . . . . 1.1 109.112 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -62.3 -36.56 82.51 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 121.21 0.529 . . . . 3.48 110.904 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.449 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 52.4 m -52.58 -31.86 38.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.348 -0.845 . . . . 1.04 110.301 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -95.74 142.18 28.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.227 -0.921 . . . . 1.3 109.183 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.559 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 3.7 mp0 -115.2 152.82 47.16 Favored Pre-proline 0 N--CA 1.502 2.164 0 N-CA-C 108.627 -0.879 . . . . 2.67 108.627 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -40.12 154.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.149 0 C-N-CA 121.737 1.624 . . . . 0.74 112.135 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -148.18 140.18 24.01 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.152 -0.967 . . . . 1.08 110.796 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 36' ' ' CYS . 88.2 m -116.24 164.72 14.08 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.317 -0.623 . . . . 1.17 109.317 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' TYR . 1.8 t -106.1 103.67 46.04 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.534 -0.729 . . . . 0.42 109.238 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -54.1 -4.59 0.28 Allowed 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.959 1.773 . . . . 1.16 113.258 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.1 mt -97.07 -55.27 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 120.794 -1.191 . . . . 1.19 110.254 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.7 p -117.36 12.45 14.27 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.224 -0.922 . . . . 0.5 108.74 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 36' ' ' CYS . 95.9 m-85 55.9 22.25 5.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.858 -0.526 . . . . 1.1 111.265 178.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.58 141.6 54.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.459 -1.4 . . . . 1.08 107.397 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.59 109.52 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.038 -1.039 . . . . 1.14 109.68 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 34' ' ' ALA . 28.2 mm -109.94 130.17 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 N-CA-C 108.095 -1.076 . . . . 1.07 108.095 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.4 HH11 ' HG2' ' A' ' 44' ' ' ARG . 20.3 mtt-85 -73.39 -63.51 1.18 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.875 -1.14 . . . . 2.82 111.389 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -78.39 133.51 37.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.98 -1.075 . . . . 1.62 109.7 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.7 p -63.35 -31.12 72.19 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.357 -0.84 . . . . 0.93 110.319 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.454 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.7 ptp180 -60.88 -41.61 96.34 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.92 -1.113 . . . . 1.04 108.658 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.454 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 96.4 m-20 -65.45 -30.07 70.82 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.595 -0.691 . . . . 0.34 109.564 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.0 tp -57.76 -47.18 83.24 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 119.06 -1.056 . . . . 1.13 108.792 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -56.34 -42.24 77.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.888 -1.132 . . . . 3.75 108.091 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -62.96 -39.03 93.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.506 -0.746 . . . . 0.51 109.078 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -61.81 -38.37 87.88 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.342 -0.849 . . . . 0.37 109.71 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' PHE . 90.3 mt -59.64 -42.19 92.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.04 -1.038 . . . . 1.12 109.445 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -72.04 -29.37 64.1 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.32 -0.863 . . . . 2.08 111.534 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.0 mt -87.63 -14.75 39.19 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.754 -1.216 . . . . 1.17 112.103 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.575 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 24.0 mmm180 -134.59 -1.59 2.79 Favored 'General case' 0 N--CA 1.507 2.424 0 O-C-N 120.591 -1.318 . . . . 2.91 112.373 -178.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 44.7 m-70 -148.18 -60.06 0.25 Allowed 'General case' 0 N--CA 1.507 2.387 0 O-C-N 120.326 -1.484 . . . . 0.67 110.488 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 53' ' ' LEU . 30.4 m-85 -80.11 18.08 0.91 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.656 -1.277 . . . . 1.04 108.957 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.419 ' H ' ' C ' ' A' ' 57' ' ' HIS . . . . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.595 -0.691 . . . . 1.2 110.35 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.709 0.766 . . . . 1.46 110.485 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -95.51 3.96 53.67 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.516 -0.74 . . . . 2.61 109.422 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.618 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 28.9 m170 -81.35 -30.58 0.55 Allowed Pre-proline 0 N--CA 1.496 1.845 0 O-C-N 121.087 -1.008 . . . . 3.96 112.811 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 71.8 Cg_exo -49.93 149.67 10.97 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 121.827 1.684 . . . . 1.14 112.308 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.22 166.84 28.88 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.105 1.87 . . . . 1.52 112.566 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.22 23.61 68.06 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 110.274 -1.13 . . . . 1.41 110.274 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 21' ' ' THR . 12.2 t -89.36 94.12 9.78 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.786 -1.42 . . . . 1.49 108.71 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -78.42 142.35 37.63 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.03 -1.044 . . . . 2.59 108.892 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -104.44 71.03 0.18 Allowed Pre-proline 0 N--CA 1.499 1.991 0 O-C-N 121.462 -0.774 . . . . 2.78 109.66 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.05 136.36 56.06 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.46 1.44 . . . . 1.04 111.038 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -69.26 -10.94 60.17 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.032 -0.729 . . . . 4.24 109.032 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.2 m -69.0 -6.25 26.67 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.288 -0.882 . . . . 1.34 109.599 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.403 HH11 ' HG2' ' A' ' 27' ' ' ARG . 31.8 mmt-85 -98.98 -21.51 16.21 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.181 -0.949 . . . . 1.23 110.508 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.2 p -108.62 -32.69 7.27 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.039 -1.038 . . . . 1.1 109.537 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.27 -37.72 81.33 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.255 -0.903 . . . . 3.48 109.506 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.5 m -54.08 -33.28 57.13 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.504 -0.878 . . . . 1.04 109.64 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.404 ' HG3' HH21 ' A' ' 47' ' ' ARG . 74.9 mm-40 -96.53 137.57 35.41 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.775 -1.203 . . . . 1.3 110.059 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -115.6 152.54 47.32 Favored Pre-proline 0 N--CA 1.495 1.781 0 N-CA-C 108.987 -0.746 . . . . 2.67 108.987 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -34.64 152.72 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.32 0 C-N-CA 122.552 2.168 . . . . 0.74 112.66 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -145.98 132.39 19.66 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.125 -0.984 . . . . 1.08 110.065 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.8 m -115.61 144.58 43.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.488 -0.758 . . . . 1.17 109.828 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.1 t -85.14 126.36 67.76 Favored Pre-proline 0 C--N 1.299 -1.611 0 N-CA-C 108.159 -1.052 . . . . 0.42 108.159 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.23 -1.34 11.52 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 120.814 1.009 . . . . 1.16 112.59 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.3 mt -99.87 -40.42 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.187 -0.946 . . . . 1.19 110.385 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.7 p -132.28 20.98 4.4 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.316 -0.865 . . . . 0.5 109.796 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 48.43 20.97 0.34 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.601 -0.687 . . . . 1.1 111.372 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.4 139.94 58.11 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.612 -1.625 . . . . 1.08 106.612 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.74 114.32 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.805 -1.184 . . . . 1.14 110.143 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' ALA . 36.1 mm -109.63 127.46 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.594 -1.261 . . . . 1.07 107.594 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -72.56 -59.66 2.61 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.179 -1.008 . . . . 2.82 109.62 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -79.56 137.57 37.2 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.138 -1.025 . . . . 1.62 110.267 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 p -66.28 -39.24 89.27 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.458 0.647 . . . . 0.93 109.683 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.417 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 10.1 ptp180 -54.94 -39.85 69.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.858 -1.151 . . . . 1.04 109.678 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.5 m-20 -67.53 -29.7 69.17 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.225 -0.922 . . . . 0.34 109.219 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.8 tp -57.4 -44.0 84.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.31 -0.869 . . . . 1.13 108.902 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -59.98 -39.43 85.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.101 -0.999 . . . . 3.75 108.57 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -69.48 -36.54 76.62 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.485 -0.759 . . . . 0.51 109.571 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -59.95 -39.66 86.34 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.932 . . . . 0.37 109.16 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.98 -39.87 96.02 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.991 -1.068 . . . . 1.12 110.329 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 76.9 mm-40 -74.48 -26.95 60.34 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.548 -0.72 . . . . 2.08 112.042 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.9 mt -95.51 -36.86 11.13 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.967 -1.083 . . . . 1.17 112.157 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' HG3' HH11 ' A' ' 56' ' ' ARG . 17.6 mmm-85 -105.47 8.29 33.42 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.78 -1.2 . . . . 2.91 113.02 -177.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -150.87 -69.26 0.18 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.116 -1.615 . . . . 0.67 110.722 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -80.22 12.09 3.11 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.591 -0.693 . . . . 1.04 109.791 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.297 -1.707 0 C-N-CA 119.682 -0.807 . . . . 1.2 109.563 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 121.19 0.519 . . . . 1.46 110.386 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -89.66 8.93 29.01 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.409 -0.959 . . . . 2.61 108.409 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 34.8 m80 -79.76 -47.99 1.43 Allowed Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.597 -0.69 . . . . 3.96 112.563 -178.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 17' ' ' HIS . 13.2 Cg_endo -55.79 151.69 39.0 Favored 'Trans proline' 0 N--CA 1.488 1.173 0 CA-C-N 120.441 1.193 . . . . 1.14 111.783 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.76 -178.53 0.74 Allowed 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.489 2.126 . . . . 1.52 112.213 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.22 20.01 68.14 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 120.565 -0.826 . . . . 1.41 111.298 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.96 93.55 8.42 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.914 -1.345 . . . . 1.49 109.269 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -78.08 147.0 34.9 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.517 -0.74 . . . . 2.59 109.359 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -106.9 74.04 0.36 Allowed Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.428 -0.795 . . . . 2.78 109.942 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.03 135.82 30.76 Favored 'Trans proline' 0 N--CA 1.488 1.19 0 C-N-CA 121.083 1.189 . . . . 1.04 109.785 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -69.49 -12.65 61.83 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.288 -0.882 . . . . 4.24 109.903 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.5 m -68.41 -4.9 16.33 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.386 -0.821 . . . . 1.34 109.839 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.431 HH11 ' HG2' ' A' ' 27' ' ' ARG . 5.4 mmt-85 -101.52 -25.71 13.81 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.162 -0.961 . . . . 1.23 110.327 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 p -108.17 -41.54 4.88 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.415 -0.803 . . . . 1.1 109.587 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.98 -30.31 69.03 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.58 -0.7 . . . . 3.48 109.676 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.6 m -61.22 -28.57 69.25 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.265 -0.897 . . . . 1.04 109.5 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -93.38 138.79 31.37 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.174 -0.954 . . . . 1.3 109.658 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -113.81 150.31 43.2 Favored Pre-proline 0 N--CA 1.5 2.047 0 N-CA-C 108.131 -1.063 . . . . 2.67 108.131 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -38.3 156.31 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.351 2.034 . . . . 0.74 113.153 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -147.58 131.08 16.72 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.284 -0.885 . . . . 1.08 110.257 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.4 m -110.81 164.53 12.68 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.319 -0.863 . . . . 1.17 109.75 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.455 ' C ' ' H ' ' A' ' 38' ' ' ILE . 4.1 t -106.02 101.58 34.65 Favored Pre-proline 0 N--CA 1.499 1.994 0 N-CA-C 109.178 -0.675 . . . . 0.42 109.178 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -56.3 0.46 0.17 Allowed 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.599 1.533 . . . . 1.16 112.471 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.455 ' H ' ' C ' ' A' ' 36' ' ' CYS . 5.9 mt -97.72 -61.63 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 120.87 -1.143 . . . . 1.19 109.926 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.9 p -113.11 13.59 19.36 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.461 -0.774 . . . . 0.5 109.116 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 56.86 21.09 5.74 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.881 -0.512 . . . . 1.1 110.885 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.06 137.06 58.18 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.07 -1.455 . . . . 1.08 107.07 178.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -95.54 114.89 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.17 -0.956 . . . . 1.14 110.193 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' ALA . 38.3 mm -113.88 128.49 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 N-CA-C 108.287 -1.005 . . . . 1.07 108.287 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -70.67 -56.91 5.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.853 -1.155 . . . . 2.82 110.883 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.552 ' NE2' ' ND2' ' A' ' 48' ' ' ASN . 37.2 mt-30 -82.49 133.89 35.2 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.052 -1.03 . . . . 1.62 111.074 -177.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.3 p -63.35 -37.33 86.85 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.364 -0.835 . . . . 0.93 110.016 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.449 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.0 ptp180 -59.74 -41.94 92.08 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.971 -1.081 . . . . 1.04 108.296 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.552 ' ND2' ' NE2' ' A' ' 45' ' ' GLN . 98.5 m-20 -63.0 -32.09 73.37 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.576 -0.703 . . . . 0.34 109.577 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.6 tp -56.58 -45.46 81.33 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.545 -1.347 . . . . 1.13 109.149 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -58.21 -40.88 82.77 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 118.924 -1.11 . . . . 3.75 108.103 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -60.98 -39.59 90.2 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.744 -0.836 . . . . 0.51 108.744 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -62.61 -36.28 82.26 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.271 -0.893 . . . . 0.37 110.13 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.89 -43.47 98.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.8 -1.188 . . . . 1.12 109.22 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 76.3 mt-10 -75.84 -19.01 59.24 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.05 -1.031 . . . . 2.08 111.824 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.0 mt -91.31 -47.25 7.59 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.375 -1.453 . . . . 1.17 112.11 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.425 ' HG3' HH11 ' A' ' 56' ' ' ARG . 21.4 mmm-85 -107.03 15.81 24.89 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.935 -1.103 . . . . 2.91 112.514 -176.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.41 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 97.7 m-70 -150.76 -71.84 0.17 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.257 -1.527 . . . . 0.67 110.867 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -81.84 12.62 3.85 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.097 -1.002 . . . . 1.04 109.278 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.496 1.84 0 O-C-N 121.498 -0.751 . . . . 1.2 110.158 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 121.052 0.454 . . . . 1.46 109.92 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -96.61 4.38 51.98 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.355 -0.84 . . . . 2.61 109.776 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.619 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 19.2 t-80 -78.7 -33.2 0.88 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.26 -0.9 . . . . 3.96 111.888 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.6 Cg_exo -51.69 155.45 7.81 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.705 1.603 . . . . 1.14 111.924 -178.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.21 178.55 3.53 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.579 2.186 . . . . 1.52 112.123 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.2 19.64 78.22 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 110.773 -0.931 . . . . 1.41 110.773 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.72 ' HG1' ' HZ3' ' A' ' 23' ' ' LYS . 3.3 t -91.22 95.73 10.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.935 -1.333 . . . . 1.49 108.849 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -76.68 151.65 36.05 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 109.047 -0.723 . . . . 2.59 109.047 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.72 ' HZ3' ' HG1' ' A' ' 21' ' ' THR . 1.2 mmpp? -107.24 71.05 0.29 Allowed Pre-proline 0 N--CA 1.5 2.063 0 O-C-N 121.3 -0.875 . . . . 2.78 111.545 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -61.18 143.84 98.76 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.374 1.383 . . . . 1.04 111.589 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -68.11 -25.09 65.14 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.609 -0.682 . . . . 4.24 111.657 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 m -67.18 1.61 2.0 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.947 -1.095 . . . . 1.34 111.638 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -94.02 -65.15 1.01 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.591 -1.318 . . . . 1.23 112.078 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.7 p -86.75 -30.99 21.19 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.048 -1.033 . . . . 1.1 111.223 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -59.95 -39.78 86.75 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.836 -1.165 . . . . 3.48 110.076 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 49.7 m -60.65 -28.46 68.6 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.18 -0.95 . . . . 1.04 109.824 -179.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.557 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 80.1 mm-40 -84.58 139.11 32.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.412 -0.805 . . . . 1.3 110.741 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.532 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 25.7 mp0 -115.2 150.67 44.77 Favored Pre-proline 0 N--CA 1.501 2.097 0 N-CA-C 108.439 -0.948 . . . . 2.67 108.439 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.41 153.33 7.51 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.496 1.464 . . . . 0.74 111.373 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.97 137.27 26.01 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.024 -1.048 . . . . 1.08 110.796 -178.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -115.85 152.12 33.96 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.526 -0.734 . . . . 1.17 110.281 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -87.75 129.71 49.63 Favored Pre-proline 0 N--CA 1.495 1.807 0 O-C-N 121.523 -0.736 . . . . 0.42 109.149 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.58 -7.39 18.6 Favored 'Trans proline' 0 N--CA 1.49 1.305 0 C-N-CA 121.558 1.505 . . . . 1.16 111.985 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.1 mt -97.95 -59.8 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.269 -0.894 . . . . 1.19 111.135 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.0 p -111.62 19.48 18.06 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 121.274 -0.891 . . . . 0.5 110.424 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 51.14 20.17 0.83 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.194 -0.941 . . . . 1.1 111.286 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.81 141.17 49.83 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.389 -1.337 . . . . 1.08 107.389 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.4 t -95.27 115.17 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.985 -1.072 . . . . 1.14 109.819 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' ALA . 45.9 mm -111.71 128.03 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 107.351 -1.352 . . . . 1.07 107.351 178.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -73.64 -57.18 4.17 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.796 -1.19 . . . . 2.82 110.659 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -79.43 136.55 36.97 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.975 -1.078 . . . . 1.62 110.374 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.3 p -66.58 -36.81 83.54 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.884 -1.135 . . . . 0.93 109.642 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.557 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -57.57 -38.36 74.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.723 -1.236 . . . . 1.04 108.984 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.37 -28.07 66.79 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.188 -0.945 . . . . 0.34 109.255 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.2 tp -55.86 -48.09 76.15 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.078 -1.014 . . . . 1.13 108.973 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -59.7 -40.48 88.05 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.025 -1.07 . . . . 3.75 108.451 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -62.15 -38.98 91.07 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.451 -0.781 . . . . 0.51 109.562 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -60.77 -37.19 81.01 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.393 -0.817 . . . . 0.37 109.655 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.05 -44.73 94.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.98 -1.075 . . . . 1.12 109.835 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 89.9 mt-10 -70.58 -27.7 64.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.237 -0.914 . . . . 2.08 111.876 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.51 -44.41 11.31 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.525 -1.359 . . . . 1.17 112.258 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 3.3 mmp_? -107.93 19.36 20.14 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.908 -1.12 . . . . 2.91 113.161 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 97.7 m-70 -152.11 -70.3 0.16 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.03 -1.669 . . . . 0.67 111.165 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -79.16 3.41 17.79 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.62 -1.3 . . . . 1.04 110.046 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.724 0 O-C-N 121.439 -0.788 . . . . 1.2 109.211 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.166 0.508 . . . . 1.46 110.209 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -89.35 16.01 8.18 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.429 -0.794 . . . . 2.61 109.012 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.596 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.8 t60 -79.53 -31.34 0.68 Allowed Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 113.048 0.759 . . . . 3.96 113.048 -177.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 69.4 Cg_exo -49.69 138.51 32.75 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 120.993 1.129 . . . . 1.14 111.996 -177.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.98 176.79 9.57 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.272 1.981 . . . . 1.52 112.373 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.68 26.99 68.11 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.819 -1.312 . . . . 1.41 109.819 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.87 84.78 3.39 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.298 -1.119 . . . . 1.49 110.206 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -78.15 147.71 34.43 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.934 -1.104 . . . . 2.59 109.21 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -95.11 109.21 43.33 Favored Pre-proline 0 N--CA 1.501 2.088 0 O-C-N 121.208 -0.933 . . . . 2.78 110.772 -179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -84.17 149.34 11.99 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.19 1.926 . . . . 1.04 110.622 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.518 ' HG2' HH11 ' A' ' 25' ' ' ARG . 12.4 mtt-85 -69.67 -26.45 64.38 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.921 -1.112 . . . . 4.24 110.563 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.8 m -68.99 -6.91 30.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.963 -1.085 . . . . 1.34 111.887 -177.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.483 HH11 ' HG2' ' A' ' 27' ' ' ARG . 1.8 mmt-85 -99.3 -31.16 11.84 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.735 -1.228 . . . . 1.23 110.45 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 p -110.12 -38.91 5.17 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.166 -0.958 . . . . 1.1 109.817 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -60.65 -37.28 81.0 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.001 -1.062 . . . . 3.48 110.27 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.3 m -56.7 -35.68 68.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.169 -0.957 . . . . 1.04 110.937 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.555 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 46.6 mm-40 -69.15 147.8 50.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.709 -1.244 . . . . 1.3 109.797 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -126.99 152.68 75.95 Favored Pre-proline 0 N--CA 1.496 1.866 0 N-CA-C 108.044 -1.095 . . . . 2.67 108.044 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -44.52 153.56 0.36 Allowed 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 121.692 1.595 . . . . 0.74 112.861 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -145.91 133.97 21.5 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.477 -0.764 . . . . 1.08 109.566 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.2 m -113.91 156.45 23.95 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 109.238 -0.653 . . . . 1.17 109.238 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.8 t -95.06 125.39 50.79 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.35 -0.844 . . . . 0.42 109.084 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -76.27 -1.04 11.01 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 121.556 1.504 . . . . 1.16 112.436 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.2 mt -101.92 -49.75 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.238 -0.914 . . . . 1.19 110.332 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.6 p -124.52 25.45 7.59 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.366 -0.834 . . . . 0.5 109.841 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 46.5 20.14 0.09 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.345 -0.847 . . . . 1.1 112.004 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.79 140.22 56.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.617 -1.302 . . . . 1.08 107.98 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.9 t -96.22 113.38 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.977 -1.077 . . . . 1.14 109.976 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' ALA . 25.5 mm -110.92 132.14 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 107.412 -1.329 . . . . 1.07 107.412 178.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' A' ' 44' ' ' ARG . 28.0 mtt-85 -75.49 -62.64 1.5 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.494 -1.379 . . . . 2.82 110.509 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.563 ' OE1' ' NE ' ' A' ' 47' ' ' ARG . 83.6 mt-30 -78.89 140.7 38.06 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.092 -1.005 . . . . 1.62 110.994 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.9 p -66.37 -36.34 82.61 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.396 -0.815 . . . . 0.93 109.966 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.563 ' NE ' ' OE1' ' A' ' 45' ' ' GLN . 2.3 ptt-85 -59.65 -41.07 89.7 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.952 -1.092 . . . . 1.04 109.24 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -62.67 -32.05 73.05 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.16 -0.962 . . . . 0.34 110.019 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.2 tp -57.25 -42.34 81.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.031 -1.043 . . . . 1.13 108.43 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.473 ' HG2' HH11 ' A' ' 50' ' ' ARG . 17.1 ttt-85 -58.04 -40.05 79.93 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.509 -0.923 . . . . 3.75 108.509 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' NH1' ' CB ' ' A' ' 51' ' ' ARG . 12.4 ttp-105 -69.26 -36.02 76.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.221 -0.924 . . . . 0.51 108.733 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -62.77 -41.38 99.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.421 -0.799 . . . . 0.37 109.721 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.6 mt -60.07 -43.97 95.09 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.202 -0.936 . . . . 1.12 110.332 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 88.5 mt-10 -73.52 -21.65 60.33 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.333 -0.855 . . . . 2.08 113.002 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.7 mt -99.03 -37.84 9.2 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.958 -1.089 . . . . 1.17 111.678 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.489 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.8 mmm180 -103.95 14.03 31.53 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.861 -1.15 . . . . 2.91 112.292 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.5 m-70 -153.5 -76.68 0.12 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.085 -1.635 . . . . 0.67 111.12 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -76.39 8.57 3.31 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.32 -0.862 . . . . 1.04 109.348 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.298 -1.651 0 N-CA-C 108.316 -0.994 . . . . 1.2 108.316 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 120.721 0.296 . . . . 1.46 111.356 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -93.44 4.23 54.29 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.088 -1.007 . . . . 2.61 109.577 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.613 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.4 m-70 -81.12 -29.18 0.51 Allowed Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 121.409 -0.807 . . . . 3.96 113.108 -178.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 74.5 Cg_exo -50.14 152.51 7.81 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 121.781 1.654 . . . . 1.14 112.878 -178.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -73.11 164.77 34.52 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.79 2.327 . . . . 1.52 112.312 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.84 18.78 78.51 Favored Glycine 0 N--CA 1.484 1.866 0 N-CA-C 110.415 -1.074 . . . . 1.41 110.415 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.7 t -95.52 83.84 3.87 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.854 -1.38 . . . . 1.49 108.517 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -76.09 157.7 32.6 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.437 -0.789 . . . . 2.59 109.413 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -105.15 70.77 0.21 Allowed Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 121.372 -0.83 . . . . 2.78 110.19 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.4 140.97 79.3 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.402 1.402 . . . . 1.04 110.721 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -77.75 -1.04 29.33 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.485 -0.759 . . . . 4.24 109.412 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -73.16 -5.66 40.65 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.019 -1.051 . . . . 1.34 109.511 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -99.06 -22.98 15.44 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.246 -1.02 . . . . 1.23 108.246 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.3 p -105.95 -37.62 6.6 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.633 0.73 . . . . 1.1 109.213 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -63.59 -36.25 83.19 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.158 -0.963 . . . . 3.48 108.855 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.9 m -60.28 -29.01 68.54 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.135 -1.061 . . . . 1.04 108.135 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.592 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 56.1 mm-40 -89.29 138.07 31.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.919 -0.488 . . . . 1.3 110.004 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -117.44 149.9 45.6 Favored Pre-proline 0 N--CA 1.502 2.167 0 N-CA-C 107.778 -1.193 . . . . 2.67 107.778 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -40.28 156.5 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.295 1.997 . . . . 0.74 112.183 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.92 135.86 21.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.338 -0.851 . . . . 1.08 110.244 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.2 m -116.87 146.1 43.14 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.606 -0.684 . . . . 1.17 110.373 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.8 t -85.42 132.79 43.83 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.831 -0.543 . . . . 0.42 109.615 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -79.89 -8.46 14.43 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 121.971 1.78 . . . . 1.16 113.352 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.9 mt -96.33 -42.6 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.949 -1.094 . . . . 1.19 110.496 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.6 p -127.84 19.26 6.64 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.181 -0.95 . . . . 0.5 110.771 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 49.89 17.92 0.32 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.408 -0.807 . . . . 1.1 111.328 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.55 139.98 56.69 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.553 -1.342 . . . . 1.08 107.798 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.58 113.85 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.926 -1.109 . . . . 1.14 110.53 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.0 mm -109.24 127.01 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 N-CA-C 107.329 -1.36 . . . . 1.07 107.329 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 44' ' ' ARG . 17.6 mtt-85 -68.74 -57.73 5.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.545 -1.347 . . . . 2.82 110.833 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.426 ' NE2' HH21 ' A' ' 47' ' ' ARG . 98.0 mt-30 -80.26 135.34 36.22 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.279 -0.888 . . . . 1.62 110.935 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.457 ' HG ' ' N ' ' A' ' 47' ' ' ARG . 60.4 p -66.19 -36.53 83.32 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.276 -0.89 . . . . 0.93 109.532 179.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.592 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -57.73 -35.65 70.97 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.455 -1.403 . . . . 1.04 109.625 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.423 ' ND2' ' OE1' ' A' ' 45' ' ' GLN . 94.2 m-20 -73.95 -25.52 60.0 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.066 -1.022 . . . . 0.34 108.785 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.92 -46.19 88.53 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.226 -0.99 . . . . 1.13 108.513 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -60.25 -41.68 93.71 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.181 -1.044 . . . . 3.75 108.181 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -63.95 -33.99 76.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.51 110.021 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -64.49 -36.23 83.52 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.302 -0.874 . . . . 0.37 109.59 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.01 -41.38 96.42 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.064 -1.023 . . . . 1.12 109.572 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 75.9 mt-10 -75.13 -15.03 60.62 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.681 -0.637 . . . . 2.08 111.276 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.2 mt -102.1 -42.29 6.13 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.508 -1.37 . . . . 1.17 111.084 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.509 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.0 mmm180 -105.56 11.29 32.57 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.896 -1.127 . . . . 2.91 112.61 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.509 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 90.2 m-70 -152.49 -71.05 0.15 Allowed 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.107 -1.62 . . . . 0.67 110.583 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -80.19 13.63 2.25 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.0 -1.062 . . . . 1.04 109.414 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.36 -0.838 . . . . 1.2 109.992 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.636 -0.505 . . . . 1.46 109.636 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.91 3.64 54.03 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.245 -0.91 . . . . 2.61 109.061 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.51 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -82.71 -44.05 0.92 Allowed Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.253 -0.904 . . . . 3.96 112.357 -177.632 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 86.5 Cg_exo -48.06 150.95 4.43 Favored 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.564 2.176 . . . . 1.14 112.528 -177.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -57.3 175.41 0.36 Allowed 'Trans proline' 0 N--CA 1.504 2.103 0 C-N-CA 122.356 2.037 . . . . 1.52 112.392 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.92 16.36 80.72 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.843 -1.303 . . . . 1.41 109.843 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.88 91.34 7.86 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.093 -1.24 . . . . 1.49 109.341 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -78.2 143.5 37.12 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.542 -0.724 . . . . 2.59 109.329 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -106.66 68.99 0.23 Allowed Pre-proline 0 N--CA 1.5 2.038 0 O-C-N 121.597 -0.689 . . . . 2.78 110.727 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.22 135.33 53.77 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.88 1.72 . . . . 1.04 111.942 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -70.14 -11.06 60.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.491 -0.756 . . . . 4.24 109.52 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.8 m -70.18 -9.36 55.49 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.449 -0.782 . . . . 1.34 110.627 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -105.12 -17.87 14.34 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.076 -1.015 . . . . 1.23 109.335 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.7 p -107.68 -41.24 5.07 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.544 -0.723 . . . . 1.1 109.812 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.466 ' NE2' ' C ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -59.96 -26.92 66.38 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.268 -0.895 . . . . 3.48 109.224 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.7 m -60.55 -28.57 68.54 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.244 -0.91 . . . . 1.04 109.093 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -94.31 145.09 24.99 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.278 -0.888 . . . . 1.3 110.124 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -114.76 152.63 46.54 Favored Pre-proline 0 N--CA 1.499 2.008 0 N-CA-C 107.887 -1.153 . . . . 2.67 107.887 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -48.45 153.09 3.44 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.39 1.393 . . . . 0.74 110.871 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -141.48 129.97 22.59 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.22 -0.925 . . . . 1.08 110.248 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.0 m -111.61 148.03 34.2 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.564 0.697 . . . . 1.17 109.998 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.1 t -85.9 130.09 51.83 Favored Pre-proline 0 N--CA 1.492 1.627 0 N-CA-C 109.091 -0.707 . . . . 0.42 109.091 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.06 -6.28 17.17 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 121.772 1.648 . . . . 1.16 113.77 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.1 mt -99.88 -52.71 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 120.905 -1.122 . . . . 1.19 110.313 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.6 p -115.81 19.63 15.06 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.261 -0.9 . . . . 0.5 110.288 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 49.14 17.4 0.18 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.38 -0.825 . . . . 1.1 110.888 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.3 139.49 48.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.516 -1.365 . . . . 1.08 107.665 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.0 t -94.8 112.92 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.194 -0.941 . . . . 1.14 110.733 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' ALA . 31.7 mm -110.2 131.37 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 107.818 -1.178 . . . . 1.07 107.818 178.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.459 HH11 ' HG2' ' A' ' 44' ' ' ARG . 10.5 mtt-85 -75.39 -62.91 1.41 Allowed 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.933 -1.104 . . . . 2.82 110.814 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -79.04 136.99 37.35 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.111 -0.993 . . . . 1.62 110.584 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -63.54 -33.93 76.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.274 -0.891 . . . . 0.93 109.883 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.4 ptp180 -58.74 -40.01 82.55 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.208 -0.933 . . . . 1.04 109.212 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.442 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.2 m-20 -69.7 -27.36 64.93 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.326 -0.859 . . . . 0.34 109.868 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.37 -47.63 83.22 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.903 -1.123 . . . . 1.13 109.327 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.483 HH11 ' CG ' ' A' ' 50' ' ' ARG . 8.3 mtt-85 -58.83 -40.02 82.95 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.276 -1.379 . . . . 3.75 107.276 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -62.89 -39.8 95.59 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 109.366 -0.605 . . . . 0.51 109.366 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -61.41 -38.89 88.76 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.557 -0.714 . . . . 0.37 110.111 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.19 -42.32 94.79 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.15 -0.969 . . . . 1.12 109.719 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 63.4 mm-40 -72.16 -24.14 61.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.445 -0.784 . . . . 2.08 111.803 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.5 mt -93.95 -41.31 9.66 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.832 -1.168 . . . . 1.17 112.054 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.514 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 3.4 mmp_? -106.25 11.57 30.99 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.078 -1.014 . . . . 2.91 113.331 -176.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.0 m-70 -153.11 -65.94 0.15 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 119.916 -1.74 . . . . 0.67 110.52 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -81.2 6.86 12.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.055 -1.028 . . . . 1.04 110.186 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.713 0 N-CA-C 108.778 -0.823 . . . . 1.2 108.778 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.369 0.604 . . . . 1.46 110.48 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -89.08 17.2 6.07 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.327 -0.99 . . . . 2.61 108.327 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.594 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 23.3 m170 -77.53 -30.0 0.73 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.281 -0.887 . . . . 3.96 112.847 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 57.6 Cg_exo -49.98 141.61 29.04 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 121.531 1.487 . . . . 1.14 112.887 -178.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -74.02 172.26 16.29 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.333 2.022 . . . . 1.52 111.466 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.69 17.05 79.05 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.92 -1.272 . . . . 1.41 109.92 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.405 ' O ' ' CG2' ' A' ' 21' ' ' THR . 5.2 t -90.54 86.84 6.53 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.043 -1.269 . . . . 1.49 110.217 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 1.1 mp0 -79.83 158.76 26.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.238 -0.914 . . . . 2.59 109.037 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -105.84 73.97 0.29 Allowed Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.256 -0.902 . . . . 2.78 110.236 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.86 143.38 91.49 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.035 1.157 . . . . 1.04 111.757 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HG2' HH11 ' A' ' 25' ' ' ARG . 45.9 mtt-85 -68.96 -14.31 62.96 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.275 -0.891 . . . . 4.24 109.942 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -68.1 -6.28 22.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.083 -1.011 . . . . 1.34 109.824 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -100.58 -21.53 15.26 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.319 -0.863 . . . . 1.23 110.645 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 p -107.35 -41.41 5.1 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.119 -0.988 . . . . 1.1 110.476 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.39 -28.46 69.26 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.039 -1.038 . . . . 3.48 110.192 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -53.54 -38.29 63.66 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.711 0.767 . . . . 1.04 109.267 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.533 ' CG ' HH21 ' A' ' 47' ' ' ARG . 74.0 mm-40 -91.55 148.88 21.97 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.409 -0.807 . . . . 1.3 109.084 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -114.82 149.92 43.21 Favored Pre-proline 0 N--CA 1.494 1.758 0 N-CA-C 108.921 -0.77 . . . . 2.67 108.921 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -38.05 154.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.365 2.043 . . . . 0.74 111.578 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.83 136.18 22.75 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.835 -1.166 . . . . 1.08 110.476 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.0 m -117.1 158.96 23.32 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.671 -0.862 . . . . 1.17 108.671 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' TYR . 1.8 t -105.07 103.66 42.91 Favored Pre-proline 0 N--CA 1.504 2.248 0 O-C-N 121.306 -0.871 . . . . 0.42 108.925 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -53.69 -4.55 0.23 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.067 1.845 . . . . 1.16 113.851 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.402 HG22 HD11 ' A' ' 38' ' ' ILE . 52.9 mt -96.29 -64.21 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 120.778 -1.201 . . . . 1.19 109.863 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.4 p -106.93 11.32 30.02 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.978 -0.749 . . . . 0.5 108.978 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' CYS . 90.9 m-85 55.46 25.45 7.78 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.842 -0.536 . . . . 1.1 110.529 178.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.91 135.07 57.68 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.208 -1.404 . . . . 1.08 107.208 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.6 t -92.04 109.12 20.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 O-C-N 120.993 -1.067 . . . . 1.14 109.806 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ALA . 42.2 mm -109.12 129.54 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 N-CA-C 107.627 -1.249 . . . . 1.07 107.627 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -71.94 -64.74 0.88 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.753 -1.217 . . . . 2.82 110.437 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -78.96 140.54 38.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.36 -0.837 . . . . 1.62 110.664 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.9 p -67.69 -32.4 73.03 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.694 -0.629 . . . . 0.93 110.917 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.533 HH21 ' CG ' ' A' ' 31' ' ' GLU . 13.9 ptp180 -59.41 -40.63 87.28 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.908 -1.12 . . . . 1.04 109.442 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.408 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 97.6 m-20 -69.45 -29.4 67.08 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.536 -0.727 . . . . 0.34 109.698 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.2 tp -60.0 -46.43 89.51 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.408 -0.807 . . . . 1.13 109.151 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -59.89 -40.22 87.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.842 -1.161 . . . . 3.75 108.178 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -63.82 -36.77 84.99 Favored 'General case' 0 C--N 1.296 -1.733 0 C-N-CA 119.747 -0.781 . . . . 0.51 109.353 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -63.22 -33.46 75.54 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.292 -0.88 . . . . 0.37 110.011 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.78 -47.63 82.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.923 -1.111 . . . . 1.12 110.04 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 93.5 mt-10 -72.49 -21.5 61.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.272 -0.892 . . . . 2.08 111.808 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.16 -35.97 12.27 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.556 -1.34 . . . . 1.17 112.075 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.518 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.1 mmm180 -110.48 13.75 22.67 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.909 -1.119 . . . . 2.91 112.025 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.518 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.8 m-70 -152.56 -72.1 0.15 Allowed 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.389 -1.444 . . . . 0.67 111.444 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -80.47 9.82 5.46 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.753 -1.217 . . . . 1.04 110.672 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.301 -1.541 0 O-C-N 120.958 -1.089 . . . . 1.2 109.489 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 120.949 0.404 . . . . 1.46 109.96 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -93.78 9.2 38.15 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.782 -0.821 . . . . 2.61 108.782 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.629 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.0 m80 -78.91 -30.68 0.68 Allowed Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.337 -0.852 . . . . 3.96 112.403 -178.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.0 Cg_exo -54.21 143.75 62.51 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.963 1.775 . . . . 1.14 111.518 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -77.87 173.59 13.83 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.645 2.23 . . . . 1.52 111.886 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.24 31.96 49.98 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.389 -1.484 . . . . 1.41 109.389 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.51 ' O ' ' CG2' ' A' ' 21' ' ' THR . 13.5 t -90.52 88.73 7.26 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.123 -1.222 . . . . 1.49 109.715 -179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -81.08 141.95 33.81 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.981 -1.074 . . . . 2.59 108.667 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -106.54 72.94 0.3 Allowed Pre-proline 0 N--CA 1.504 2.235 0 O-C-N 121.115 -0.99 . . . . 2.78 110.476 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -64.95 142.32 74.7 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.27 1.313 . . . . 1.04 111.263 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.429 ' H ' ' CD ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -70.52 -6.72 38.34 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.27 -0.894 . . . . 4.24 109.449 -179.19 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.3 m -70.29 -7.76 45.02 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.258 -0.901 . . . . 1.34 109.931 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -102.13 -23.3 14.07 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.005 -1.059 . . . . 1.23 110.614 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.445 ' H ' ' HG ' ' A' ' 28' ' ' SER . 4.1 p -103.12 -36.31 8.18 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.969 -1.082 . . . . 1.1 110.336 -178.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.2 -30.07 69.13 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.009 -1.057 . . . . 3.48 110.164 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.4 m -59.64 -30.57 68.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.263 -0.898 . . . . 1.04 109.476 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -84.35 143.37 29.53 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.153 -0.967 . . . . 1.3 110.412 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 44' ' ' ARG . 92.9 mt-30 -115.75 153.52 48.01 Favored Pre-proline 0 N--CA 1.501 2.117 0 N-CA-C 108.889 -0.782 . . . . 2.67 108.889 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.09 154.55 17.62 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 122.291 1.994 . . . . 0.74 111.726 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 43' ' ' ILE . . . -149.99 136.65 19.2 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.856 -1.153 . . . . 1.08 111.104 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -114.48 161.46 17.96 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.526 -0.734 . . . . 1.17 109.371 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.453 ' C ' ' H ' ' A' ' 38' ' ' ILE . 6.3 t -106.36 100.45 29.72 Favored Pre-proline 0 N--CA 1.504 2.227 0 O-C-N 121.459 -0.776 . . . . 0.42 109.664 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.74 -0.59 0.09 OUTLIER 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.246 1.964 . . . . 1.16 113.35 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.453 ' H ' ' C ' ' A' ' 36' ' ' CYS . 17.3 mt -98.33 -63.95 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.896 -1.128 . . . . 1.19 109.71 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.9 p -109.21 13.15 24.55 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.585 -0.895 . . . . 0.5 108.585 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 55.44 19.04 2.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.835 -0.54 . . . . 1.1 110.947 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.23 136.37 57.94 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.603 -1.258 . . . . 1.08 107.603 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -95.84 112.23 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 120.7 -1.25 . . . . 1.14 110.449 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 34' ' ' ALA . 26.8 mm -109.29 129.91 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 107.026 -1.472 . . . . 1.07 107.026 177.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.437 HH11 ' HG2' ' A' ' 44' ' ' ARG . 17.9 mtt-85 -71.73 -61.76 1.66 Allowed 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.864 -1.148 . . . . 2.82 110.329 -178.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.551 HE22 ' NH2' ' A' ' 47' ' ' ARG . 76.4 mt-30 -78.26 136.59 37.79 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.9 -1.125 . . . . 1.62 110.76 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.635 ' HG ' ' N ' ' A' ' 47' ' ' ARG . 23.7 p -66.49 -38.96 88.4 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.317 -0.865 . . . . 0.93 110.252 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.635 ' N ' ' HG ' ' A' ' 46' ' ' SER . 26.6 ptt180 -55.66 -38.78 70.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.963 -1.086 . . . . 1.04 108.639 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.82 -27.56 64.98 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.231 -0.918 . . . . 0.34 109.576 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.76 -46.67 88.44 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.701 -1.249 . . . . 1.13 108.991 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -55.64 -41.2 73.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.787 -1.196 . . . . 3.75 107.964 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -60.6 -42.08 96.05 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.464 -0.894 . . . . 0.51 108.768 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.52 -39.16 86.78 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.485 -0.759 . . . . 0.37 110.861 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.05 -41.77 83.99 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.955 -1.091 . . . . 1.12 109.588 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 94.0 mt-10 -73.44 -17.77 61.21 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.458 -0.776 . . . . 2.08 111.767 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -93.89 -50.18 5.47 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 120.687 -1.258 . . . . 1.17 113.462 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 3.4 mmp_? -106.15 26.26 9.98 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.613 -1.304 . . . . 2.91 111.775 -177.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 97.8 m-70 -155.35 -76.9 0.1 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.474 -1.392 . . . . 0.67 110.519 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -78.58 6.25 9.14 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.457 -0.777 . . . . 1.04 109.651 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.553 -0.717 . . . . 1.2 109.293 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 121.041 0.448 . . . . 1.46 110.746 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -94.11 8.59 41.02 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.418 -0.801 . . . . 2.61 109.923 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.62 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 12.3 t-80 -82.37 -34.33 0.66 Allowed Pre-proline 0 N--CA 1.501 2.121 0 O-C-N 120.85 -1.156 . . . . 3.96 111.882 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 37.1 Cg_exo -58.8 139.29 90.15 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 122.079 1.853 . . . . 1.14 111.843 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 18' ' ' PRO . 84.7 Cg_exo -44.09 179.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.094 1.863 . . . . 1.52 112.996 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.65 25.92 64.13 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 110.004 -1.238 . . . . 1.41 110.004 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.418 ' O ' ' CG2' ' A' ' 21' ' ' THR . 7.8 t -91.51 87.03 6.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.034 -1.274 . . . . 1.49 108.843 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -84.24 139.52 32.3 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.381 -0.825 . . . . 2.59 109.255 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -108.04 80.46 1.06 Allowed Pre-proline 0 N--CA 1.499 2.023 0 O-C-N 121.518 -0.739 . . . . 2.78 110.372 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.75 135.97 16.49 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 122.015 1.81 . . . . 1.04 112.243 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.97 -4.78 30.45 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.276 -0.89 . . . . 4.24 110.454 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -69.56 -14.45 62.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.043 -1.035 . . . . 1.34 110.009 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -105.86 -23.34 12.71 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.179 -0.951 . . . . 1.23 109.875 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 p -97.16 -29.74 13.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.077 -1.015 . . . . 1.1 108.446 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -72.3 -40.23 67.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.304 -0.872 . . . . 3.48 108.879 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -58.78 -29.98 67.22 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.43 -0.952 . . . . 1.04 108.43 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -80.59 138.87 36.49 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.516 -0.74 . . . . 1.3 109.358 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -123.87 152.63 66.57 Favored Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 121.561 -0.712 . . . . 2.67 109.103 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -41.88 152.68 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.281 0 C-N-CA 121.734 1.623 . . . . 0.74 112.168 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -149.08 131.19 15.39 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.285 -0.884 . . . . 1.08 109.736 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.2 m -116.17 160.78 19.91 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.478 -0.764 . . . . 1.17 110.763 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 40' ' ' TYR . 8.1 t -106.58 100.63 31.6 Favored Pre-proline 0 N--CA 1.5 2.027 0 O-C-N 121.752 -0.592 . . . . 0.42 109.896 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.73 -2.1 0.18 Allowed 'Trans proline' 0 N--CA 1.502 2.019 0 C-N-CA 122.357 2.038 . . . . 1.16 113.552 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.9 mt -97.45 -55.0 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 120.994 -1.066 . . . . 1.19 109.507 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.8 p -117.95 15.18 14.26 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 108.571 -0.9 . . . . 0.5 108.571 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' CYS . 94.3 m-85 52.72 17.45 0.83 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.783 -0.573 . . . . 1.1 110.404 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.36 134.05 53.33 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.439 -1.319 . . . . 1.08 107.439 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.1 t -94.64 112.94 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.951 -1.093 . . . . 1.14 110.892 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.2 mm -111.03 121.39 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.278 -1.378 . . . . 1.07 107.278 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 44' ' ' ARG . 14.6 mtt-85 -65.74 -52.65 49.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.791 -1.193 . . . . 2.82 110.582 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.56 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 47.5 mt-30 -83.69 137.65 33.68 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.287 -0.883 . . . . 1.62 111.307 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.589 ' HG ' ' N ' ' A' ' 47' ' ' ARG . 83.2 p -66.93 -39.82 87.43 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.258 -0.901 . . . . 0.93 110.187 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.589 ' N ' ' HG ' ' A' ' 46' ' ' SER . 25.3 ptt180 -59.5 -39.41 83.71 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.07 -1.019 . . . . 1.04 109.082 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -67.17 -30.86 70.94 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.146 -0.971 . . . . 0.34 108.976 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.51 -45.5 93.57 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.05 -1.031 . . . . 1.13 109.746 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -56.85 -40.16 75.59 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.867 -1.145 . . . . 3.75 107.968 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -65.61 -37.35 86.37 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.69 -0.856 . . . . 0.51 108.69 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -61.61 -39.39 91.09 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.216 -0.928 . . . . 0.37 109.87 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.14 -44.19 95.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.085 -1.01 . . . . 1.12 110.607 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 80.3 mm-40 -74.31 -14.25 60.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.23 -0.919 . . . . 2.08 111.244 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.2 mt -92.37 -51.95 4.9 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.472 -1.392 . . . . 1.17 112.437 -178.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.537 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 23.2 mmm180 -104.65 11.39 34.16 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.827 -1.17 . . . . 2.91 112.585 -177.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 65.2 m-70 -146.89 -77.96 0.17 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.247 -1.533 . . . . 0.67 110.714 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -77.49 21.91 0.26 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.044 -1.035 . . . . 1.04 110.233 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.472 -0.768 . . . . 1.2 110.507 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.901 0 CA-C-O 120.881 0.372 . . . . 1.46 110.836 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -95.65 7.59 45.85 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.146 -0.971 . . . . 2.61 109.765 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.604 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 24.0 t-80 -80.02 -30.12 0.59 Allowed Pre-proline 0 N--CA 1.494 1.771 0 O-C-N 121.22 -0.925 . . . . 3.96 112.693 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 73.9 Cg_exo -51.52 156.05 6.6 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 121.791 1.661 . . . . 1.14 112.122 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.93 170.6 0.99 Allowed 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.444 2.096 . . . . 1.52 111.829 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.98 24.27 72.29 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.996 -1.242 . . . . 1.41 109.996 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.41 ' O ' ' CG2' ' A' ' 21' ' ' THR . 7.8 t -93.67 88.54 5.87 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.103 -1.233 . . . . 1.49 109.565 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mp0 -79.71 150.48 30.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.181 -0.95 . . . . 2.59 108.906 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -106.07 74.46 0.32 Allowed Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.268 -0.895 . . . . 2.78 110.206 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.5 137.32 54.53 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 121.298 1.332 . . . . 1.04 111.475 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HG2' ' NH1' ' A' ' 25' ' ' ARG . 6.1 tpt180 -71.11 -18.72 62.51 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.35 -0.843 . . . . 4.24 110.263 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -65.81 -4.29 6.42 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.02 -1.05 . . . . 1.34 112.218 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -104.74 -22.44 13.21 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.809 -1.182 . . . . 1.23 109.237 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 p -100.93 -34.07 9.94 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.292 -0.88 . . . . 1.1 109.461 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -60.03 -36.51 77.43 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.226 -0.921 . . . . 3.48 109.611 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.9 m -56.24 -30.94 63.06 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.018 -1.051 . . . . 1.04 109.457 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.476 ' CG ' HH21 ' A' ' 47' ' ' ARG . 71.7 mm-40 -94.54 138.49 32.37 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.2 -0.937 . . . . 1.3 110.169 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -118.11 153.2 51.26 Favored Pre-proline 0 N--CA 1.494 1.772 0 N-CA-C 108.686 -0.857 . . . . 2.67 108.686 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -42.1 154.14 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.851 1.7 . . . . 0.74 111.378 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.95 141.83 25.81 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.999 -1.063 . . . . 1.08 110.327 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.2 m -117.08 152.14 35.33 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.5 -0.75 . . . . 1.17 109.921 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.7 t -88.77 131.08 42.67 Favored Pre-proline 0 N--CA 1.498 1.941 0 O-C-N 121.153 -0.967 . . . . 0.42 108.999 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.53 -7.54 15.84 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 121.63 1.554 . . . . 1.16 112.736 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 83.3 mt -98.81 -52.66 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.159 -0.963 . . . . 1.19 110.052 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 41' ' ' ALA . 14.1 p -118.32 27.0 9.22 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.286 -0.883 . . . . 0.5 110.731 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 41.96 18.55 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.309 -0.869 . . . . 1.1 111.252 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . -58.52 136.91 57.66 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.281 -1.377 . . . . 1.08 107.281 178.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.24 114.27 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.009 -1.057 . . . . 1.14 110.77 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.415 HD11 HG22 ' A' ' 43' ' ' ILE . 28.3 mm -110.03 129.69 64.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 N-CA-C 108.009 -1.108 . . . . 1.07 108.009 178.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' A' ' 44' ' ' ARG . 36.4 mtt-85 -73.13 -65.14 0.84 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.889 -1.132 . . . . 2.82 110.624 -178.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -77.62 137.71 38.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.085 -1.01 . . . . 1.62 110.517 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.8 p -65.15 -37.57 87.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.506 -0.747 . . . . 0.93 109.642 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.476 HH21 ' CG ' ' A' ' 31' ' ' GLU . 12.7 ptp180 -54.6 -43.95 72.65 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.894 -1.129 . . . . 1.04 109.088 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.42 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 83.8 m-20 -63.52 -32.41 73.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.136 -0.978 . . . . 0.34 109.532 179.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 tp -55.12 -44.05 74.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.893 -1.129 . . . . 1.13 108.992 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.55 HH11 ' CG ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -59.88 -40.67 89.47 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.089 -1.078 . . . . 3.75 108.089 179.425 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -65.26 -35.06 79.87 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.607 0.717 . . . . 0.51 109.58 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -63.62 -41.73 98.26 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.475 -0.766 . . . . 0.37 109.518 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.01 -40.35 88.93 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.184 -0.947 . . . . 1.12 109.754 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 92.7 mt-10 -73.7 -27.74 61.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.382 -0.824 . . . . 2.08 111.734 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -92.81 -42.05 9.76 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.761 -1.212 . . . . 1.17 112.081 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.53 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 24.4 mmm180 -106.36 17.79 22.9 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 120.729 -1.232 . . . . 2.91 112.761 -177.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.7 m-70 -155.83 -71.24 0.11 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.371 -1.455 . . . . 0.67 110.424 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -81.91 14.73 2.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.635 -0.665 . . . . 1.04 110.603 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.225 -0.922 . . . . 1.2 108.958 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 121.691 0.758 . . . . 1.46 111.604 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' NZ ' ' CB ' ' A' ' 16' ' ' LYS . 7.8 mtpm? -92.81 12.25 24.21 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.756 -0.831 . . . . 2.61 108.756 178.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 55.3 t-80 -82.31 -30.39 0.51 Allowed Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.164 -0.96 . . . . 3.96 112.589 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.2 Cg_exo -53.97 154.35 17.72 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 121.589 1.526 . . . . 1.14 111.964 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -76.78 -179.49 5.43 Favored 'Trans proline' 0 N--CA 1.502 1.992 0 C-N-CA 123.222 2.615 . . . . 1.52 112.889 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.33 24.54 68.08 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.331 -1.108 . . . . 1.41 110.331 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 t -94.1 89.3 5.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.164 -1.198 . . . . 1.49 108.927 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -79.08 154.97 28.99 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.276 -0.89 . . . . 2.59 108.864 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -108.05 75.97 0.57 Allowed Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.462 -0.774 . . . . 2.78 110.242 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.78 142.85 32.62 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.357 1.372 . . . . 1.04 111.031 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -70.95 -8.26 51.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.955 -1.091 . . . . 4.24 110.862 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.8 m -70.3 -6.84 37.97 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.056 -1.027 . . . . 1.34 110.231 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -100.66 -24.85 14.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.327 -0.858 . . . . 1.23 110.086 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.4 p -108.84 -30.98 7.87 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.271 -0.893 . . . . 1.1 109.465 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -62.28 -38.48 89.51 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.05 -1.031 . . . . 3.48 108.727 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.1 m -56.54 -32.97 65.63 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.504 0.669 . . . . 1.04 109.418 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -92.32 147.53 22.85 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.437 -0.789 . . . . 1.3 110.278 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -120.46 152.98 56.0 Favored Pre-proline 0 N--CA 1.498 1.959 0 N-CA-C 108.603 -0.888 . . . . 2.67 108.603 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -48.1 149.93 5.49 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.452 2.101 . . . . 0.74 111.904 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.11 135.14 26.97 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.571 -0.706 . . . . 1.08 110.26 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -115.16 144.8 43.13 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.148 -0.97 . . . . 1.17 110.226 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -77.73 130.83 72.3 Favored Pre-proline 0 C--N 1.303 -1.452 0 N-CA-C 108.701 -0.852 . . . . 0.42 108.701 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.04 -7.11 16.22 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 121.841 1.694 . . . . 1.16 112.1 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.4 mt -100.88 -58.49 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.276 -0.89 . . . . 1.19 111.069 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.5 p -111.18 19.64 18.16 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.186 -0.946 . . . . 0.5 110.759 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 52.22 13.83 0.31 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.244 -0.91 . . . . 1.1 111.591 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.05 134.75 43.77 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.465 -1.309 . . . . 1.08 107.465 178.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -93.41 109.79 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.756 -1.215 . . . . 1.14 109.953 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.2 mm -104.77 128.7 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 107.662 -1.236 . . . . 1.07 107.662 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 44' ' ' ARG . 19.3 mtt-85 -73.81 -61.82 1.71 Allowed 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.919 -1.113 . . . . 2.82 110.677 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -79.21 134.38 36.68 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.025 -1.047 . . . . 1.62 109.522 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -64.12 -30.54 71.6 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.587 -0.845 . . . . 0.93 109.206 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 10.4 ptp180 -57.76 -44.45 86.15 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.828 -1.17 . . . . 1.04 108.811 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.458 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 84.5 m-20 -64.84 -30.7 71.72 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.23 -0.919 . . . . 0.34 109.386 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.7 tp -56.12 -46.64 79.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.037 -1.04 . . . . 1.13 108.693 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -59.87 -40.7 89.55 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.11 -1.071 . . . . 3.75 108.11 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -66.63 -37.23 84.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.467 -0.771 . . . . 0.51 108.976 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -60.13 -39.54 86.62 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 109.29 -0.633 . . . . 0.37 109.29 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.67 -39.93 82.08 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.961 -1.087 . . . . 1.12 109.438 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.537 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 60.8 mm-40 -76.22 -22.18 55.52 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.155 -0.966 . . . . 2.08 112.786 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -93.58 -42.18 9.35 Favored 'General case' 0 N--CA 1.509 2.475 0 O-C-N 120.451 -1.406 . . . . 1.17 112.157 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.535 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.6 mmm180 -106.56 16.44 24.6 Favored 'General case' 0 N--CA 1.507 2.396 0 O-C-N 120.921 -1.112 . . . . 2.91 112.318 -177.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 95.0 m-70 -155.26 -70.95 0.12 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.364 -1.46 . . . . 0.67 111.002 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -80.58 12.99 2.73 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.117 -0.989 . . . . 1.04 109.026 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.179 -0.675 . . . . 1.2 109.179 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.831 0 N-CA-C 109.67 -0.493 . . . . 1.46 109.67 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -94.82 5.07 52.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.314 -0.867 . . . . 2.61 110.03 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.595 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.3 t-160 -80.87 -36.7 0.91 Allowed Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.026 -1.046 . . . . 3.96 112.322 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 78.5 Cg_exo -50.41 138.93 38.06 Favored 'Trans proline' 0 N--CA 1.504 2.103 0 C-N-CA 122.692 2.262 . . . . 1.14 113.948 -177.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -47.5 179.23 0.01 OUTLIER 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.07 1.847 . . . . 1.52 113.068 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.73 27.24 61.22 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.94 -1.264 . . . . 1.41 109.94 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' CG2' ' A' ' 21' ' ' THR . 8.8 t -97.2 90.11 5.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.328 -1.101 . . . . 1.49 109.715 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -77.66 138.46 39.1 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.127 -1.434 . . . . 2.59 107.127 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.78 77.59 1.09 Allowed Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 121.536 -0.728 . . . . 2.78 111.485 -178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -52.61 145.03 39.8 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 N-CA-C 109.587 -0.967 . . . . 1.04 109.587 177.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -67.58 -22.68 65.37 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.057 -1.027 . . . . 4.24 109.511 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.6 m -68.71 -13.84 62.64 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.501 -0.749 . . . . 1.34 111.956 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -76.88 -49.57 15.38 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.535 -1.353 . . . . 1.23 111.453 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -95.32 -30.84 13.73 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.721 -1.237 . . . . 1.1 110.079 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -60.54 -36.0 77.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.831 -1.168 . . . . 3.48 109.707 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 m -59.81 -30.37 68.87 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.261 -0.899 . . . . 1.04 110.029 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -86.79 137.75 32.16 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.943 -1.098 . . . . 1.3 109.989 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -119.37 152.17 52.3 Favored Pre-proline 0 N--CA 1.505 2.292 0 O-C-N 121.587 -0.696 . . . . 2.67 109.644 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -42.61 152.82 0.17 Allowed 'Trans proline' 0 N--CA 1.488 1.196 0 C-N-CA 121.866 1.711 . . . . 0.74 111.767 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.0 139.28 28.96 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.331 -0.856 . . . . 1.08 109.97 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.2 m -117.92 145.58 44.56 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.596 -0.69 . . . . 1.17 110.279 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.6 t -86.08 127.73 60.67 Favored Pre-proline 0 N--CA 1.492 1.651 0 N-CA-C 108.615 -0.883 . . . . 0.42 108.615 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.67 -3.29 13.18 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.641 1.561 . . . . 1.16 112.633 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 75.5 mt -98.39 -48.79 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.305 -0.872 . . . . 1.19 109.957 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.4 p -124.23 24.62 8.04 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.391 -0.818 . . . . 0.5 110.144 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 46.85 18.69 0.07 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.3 -0.875 . . . . 1.1 111.299 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.63 138.99 57.56 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.351 -1.351 . . . . 1.08 107.351 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.7 t -99.78 110.87 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.044 -1.035 . . . . 1.14 110.38 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.406 HG22 HD11 ' A' ' 43' ' ' ILE . 38.1 mm -107.03 131.76 56.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 N-CA-C 106.524 -1.658 . . . . 1.07 106.524 178.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' A' ' 44' ' ' ARG . 30.2 mtt-85 -71.58 -63.4 1.13 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.658 -1.276 . . . . 2.82 111.218 -177.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.532 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 92.5 mt-30 -78.73 137.2 37.66 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.23 -0.918 . . . . 1.62 110.614 -178.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.2 p -64.49 -37.35 87.22 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.82 -0.55 . . . . 0.93 110.774 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.532 ' NH2' ' OE1' ' A' ' 45' ' ' GLN . 24.7 ptt180 -59.11 -36.01 74.42 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.479 -1.388 . . . . 1.04 109.274 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -73.37 -23.16 60.15 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.104 -0.997 . . . . 0.34 109.113 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.5 tp -59.78 -48.1 83.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.085 -1.009 . . . . 1.13 108.528 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -59.34 -40.2 85.59 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.644 -1.243 . . . . 3.75 107.644 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -61.28 -36.63 80.58 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.521 0.676 . . . . 0.51 109.682 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -64.67 -36.64 84.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.37 109.472 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.51 -41.09 93.63 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.241 -0.912 . . . . 1.12 110.186 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 97.3 mt-10 -74.67 -16.18 60.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.293 -0.879 . . . . 2.08 110.888 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.4 mt -95.92 -48.9 5.52 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.869 -1.145 . . . . 1.17 112.553 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.542 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 21.7 mmm180 -105.95 14.81 27.46 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 121.007 -1.058 . . . . 2.91 112.353 -177.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.542 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 84.9 m-70 -150.69 -73.87 0.16 Allowed 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.277 -1.514 . . . . 0.67 111.188 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -79.42 13.01 2.13 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.383 -0.823 . . . . 1.04 109.141 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.492 -0.559 . . . . 1.2 109.492 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 120.934 0.397 . . . . 1.46 110.277 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -94.8 1.26 55.38 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.439 -0.788 . . . . 2.61 110.815 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.636 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 45.4 t-80 -83.54 -30.98 0.49 Allowed Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 120.897 -1.127 . . . . 3.96 112.746 -178.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 77.2 Cg_exo -49.24 153.09 4.78 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.223 1.949 . . . . 1.14 112.322 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -73.58 170.09 20.8 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.81 2.34 . . . . 1.52 112.25 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.87 13.99 81.48 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 110.304 -1.119 . . . . 1.41 110.304 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.458 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.0 t -91.61 91.41 8.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.951 -1.323 . . . . 1.49 109.492 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -79.72 159.62 26.56 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.777 -0.823 . . . . 2.59 108.777 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -106.37 69.02 0.22 Allowed Pre-proline 0 N--CA 1.499 1.987 0 O-C-N 121.46 -0.775 . . . . 2.78 110.153 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -63.31 134.34 44.79 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 121.538 1.492 . . . . 1.04 111.656 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -75.01 -3.98 35.6 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.3 -0.875 . . . . 4.24 110.212 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -69.97 -15.66 63.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.821 -1.175 . . . . 1.34 109.202 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -97.22 -18.08 19.46 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.245 -0.909 . . . . 1.23 109.839 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.5 p -105.56 -30.13 9.71 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.106 -0.996 . . . . 1.1 110.569 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -67.65 -29.63 68.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.898 -1.126 . . . . 3.48 109.136 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 m -60.75 -32.33 71.63 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.797 0.808 . . . . 1.04 108.838 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -93.41 139.24 30.92 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 109.058 -0.719 . . . . 1.3 109.058 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.503 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 0.9 OUTLIER -116.1 150.72 45.65 Favored Pre-proline 0 N--CA 1.502 2.138 0 O-C-N 121.613 -0.679 . . . . 2.67 109.694 -179.66 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -38.73 150.26 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.515 2.143 . . . . 0.74 112.048 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 43' ' ' ILE . . . -147.04 132.33 18.47 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.283 -0.886 . . . . 1.08 110.646 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.8 m -110.47 161.79 15.33 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.626 -0.671 . . . . 1.17 109.282 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.554 ' O ' ' N ' ' A' ' 40' ' ' TYR . 18.0 t -105.86 103.17 42.89 Favored Pre-proline 0 N--CA 1.499 1.995 0 O-C-N 121.566 -0.709 . . . . 0.42 109.472 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.53 -1.31 0.67 Allowed 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 121.812 1.674 . . . . 1.16 113.125 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 75.7 mt -97.4 -46.95 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.027 -1.046 . . . . 1.19 109.321 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.3 p -123.93 10.48 8.88 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.386 -0.821 . . . . 0.5 109.05 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.554 ' N ' ' O ' ' A' ' 36' ' ' CYS . 96.2 m-85 55.57 18.82 2.91 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.534 -0.729 . . . . 1.1 110.361 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.95 140.03 56.99 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.663 -1.236 . . . . 1.08 107.663 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.4 t -95.44 110.03 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.055 -1.028 . . . . 1.14 110.3 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 34' ' ' ALA . 39.1 mm -108.07 129.45 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 106.348 -1.723 . . . . 1.07 106.348 177.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.443 HH11 ' HG2' ' A' ' 44' ' ' ARG . 10.3 mtt-85 -70.4 -61.23 1.85 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.625 -1.297 . . . . 2.82 110.596 -177.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.689 HE22 ' NH2' ' A' ' 47' ' ' ARG . 98.3 mt-30 -77.45 139.7 39.7 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.169 -0.957 . . . . 1.62 109.921 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.642 ' HG ' ' N ' ' A' ' 47' ' ' ARG . 59.5 p -70.35 -40.22 74.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.179 -0.951 . . . . 0.93 109.836 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.689 ' NH2' HE22 ' A' ' 45' ' ' GLN . 27.0 ptt180 -55.3 -41.41 72.32 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.756 -1.215 . . . . 1.04 108.745 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -66.08 -29.87 70.28 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.126 -0.984 . . . . 0.34 109.73 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.0 -44.11 94.75 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.025 -1.047 . . . . 1.13 109.688 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.426 ' HG2' HH11 ' A' ' 50' ' ' ARG . 16.9 ttt-85 -60.02 -41.13 91.52 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.943 -1.098 . . . . 3.75 108.702 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -64.61 -34.53 78.48 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.578 -0.849 . . . . 0.51 109.04 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -63.35 -35.59 80.89 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.212 -0.93 . . . . 0.37 109.199 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.38 -48.72 80.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.933 . . . . 1.12 110.253 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 71.5 mt-10 -68.81 -20.91 64.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.124 -0.985 . . . . 2.08 111.558 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.9 mt -93.17 -32.27 14.46 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.68 -1.263 . . . . 1.17 112.381 -178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.516 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 16.4 mmm-85 -115.53 0.78 13.44 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 120.927 -1.108 . . . . 2.91 112.859 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 60.9 m-70 -146.0 -68.22 0.28 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 120.324 -1.485 . . . . 0.67 110.594 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.7 15.94 0.95 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.063 -1.023 . . . . 1.04 110.181 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.287 -0.883 . . . . 1.2 108.962 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 121.517 0.675 . . . . 1.46 110.989 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -93.46 6.67 47.4 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.54 -0.725 . . . . 2.61 109.343 178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.594 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 15.5 t60 -77.95 -30.91 0.76 Allowed Pre-proline 0 N--CA 1.495 1.812 0 O-C-N 121.181 -0.949 . . . . 3.96 112.699 -177.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.6 Cg_exo -53.51 152.31 21.38 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 121.722 1.615 . . . . 1.14 111.744 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -78.0 176.83 9.52 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.779 2.32 . . . . 1.52 112.893 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.23 37.97 54.43 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.157 -1.177 . . . . 1.41 110.157 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.475 ' O ' ' CG2' ' A' ' 21' ' ' THR . 15.1 t -88.55 99.34 12.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.044 -1.268 . . . . 1.49 109.36 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -82.14 145.02 30.35 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.602 -0.888 . . . . 2.59 108.602 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 7.7 mmmm -106.77 72.36 0.3 Allowed Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 121.526 -0.734 . . . . 2.78 111.22 -178.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.88 136.79 33.55 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.548 1.498 . . . . 1.04 111.667 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.51 ' HG2' HH11 ' A' ' 25' ' ' ARG . 20.7 mtt-85 -72.51 -10.02 59.28 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.329 -0.857 . . . . 4.24 110.096 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -72.01 1.06 7.89 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.093 -1.004 . . . . 1.34 111.054 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -101.1 -26.84 13.55 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.712 -1.243 . . . . 1.23 109.503 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 p -111.07 -33.24 6.53 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.545 -0.722 . . . . 1.1 110.089 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.404 ' OE1' ' O ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -61.13 -40.0 92.15 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.463 -0.773 . . . . 3.48 110.133 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.3 m -60.6 -30.81 70.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.353 -0.842 . . . . 1.04 109.224 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -90.34 134.83 34.06 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.442 -0.786 . . . . 1.3 109.803 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -115.02 148.91 41.59 Favored Pre-proline 0 N--CA 1.503 2.18 0 N-CA-C 108.755 -0.832 . . . . 2.67 108.755 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -37.38 155.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.242 0 C-N-CA 122.256 1.971 . . . . 0.74 112.878 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -147.89 132.93 18.21 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.349 -0.844 . . . . 1.08 110.149 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.0 m -112.4 145.61 39.82 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.579 -0.701 . . . . 1.17 109.642 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.29 129.67 54.7 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.123 -0.986 . . . . 0.42 108.522 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -78.58 -5.85 15.05 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 121.571 1.514 . . . . 1.16 112.932 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.1 mt -99.41 -43.71 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.225 -0.922 . . . . 1.19 110.539 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.5 p -126.95 19.15 7.14 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.204 -0.935 . . . . 0.5 110.33 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 52.93 14.48 0.45 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.465 -0.772 . . . . 1.1 111.727 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.02 139.94 53.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.541 -1.349 . . . . 1.08 108.233 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.7 t -94.46 116.83 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.061 -1.024 . . . . 1.14 109.993 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' ALA . 30.9 mm -111.92 129.99 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 106.777 -1.564 . . . . 1.07 106.777 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -75.45 -62.6 1.52 Allowed 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.557 -1.34 . . . . 2.82 109.935 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -80.97 133.16 35.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.908 -1.12 . . . . 1.62 110.603 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.8 p -63.99 -28.07 69.56 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.508 -0.745 . . . . 0.93 110.265 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -59.69 -40.04 86.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.543 -1.348 . . . . 1.04 108.358 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -70.8 -26.63 63.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.4 -0.813 . . . . 0.34 109.389 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.7 tp -57.96 -47.33 83.24 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 119.183 -1.007 . . . . 1.13 108.339 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.504 ' HG2' HH11 ' A' ' 50' ' ' ARG . 7.4 mmt-85 -59.03 -40.89 86.39 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.05 -1.031 . . . . 3.75 108.257 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -63.28 -39.27 94.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.444 -0.785 . . . . 0.51 109.195 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -61.16 -36.82 80.83 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.519 -0.738 . . . . 0.37 109.468 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.12 -44.68 96.97 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.929 -1.107 . . . . 1.12 109.447 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 92.3 mt-10 -70.85 -28.85 64.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.305 -0.872 . . . . 2.08 112.033 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.1 mt -85.91 -48.9 8.3 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.692 -1.255 . . . . 1.17 112.73 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.5 mmm180 -103.37 18.3 22.12 Favored 'General case' 0 N--CA 1.507 2.421 0 O-C-N 120.798 -1.189 . . . . 2.91 112.261 -177.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.488 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 95.3 m-70 -153.6 -76.7 0.11 Allowed 'General case' 0 N--CA 1.502 2.162 0 O-C-N 119.978 -1.702 . . . . 0.67 111.273 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -79.44 20.31 0.56 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.982 -1.074 . . . . 1.04 110.138 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.293 -1.87 0 O-C-N 121.585 -0.697 . . . . 1.2 109.54 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 121.099 0.476 . . . . 1.46 110.293 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -95.97 10.93 35.74 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.395 -0.816 . . . . 2.61 109.811 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.623 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 13.1 t60 -81.38 -28.9 0.49 Allowed Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.226 -0.921 . . . . 3.96 112.466 -179.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 76.5 Cg_exo -50.36 155.91 4.49 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 121.406 1.404 . . . . 1.14 111.006 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.03 179.94 3.98 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.019 1.813 . . . . 1.52 112.143 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.68 15.82 79.28 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.319 -1.512 . . . . 1.41 109.319 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.466 ' O ' ' CG2' ' A' ' 21' ' ' THR . 8.8 t -91.85 91.61 7.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.362 -1.081 . . . . 1.49 108.983 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -73.68 149.09 42.16 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.576 -0.702 . . . . 2.59 109.475 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -106.66 72.96 0.31 Allowed Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.474 -0.767 . . . . 2.78 110.464 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.25 141.73 63.92 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 121.775 1.65 . . . . 1.04 111.953 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -73.49 -6.51 46.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.131 -0.981 . . . . 4.24 110.113 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -72.02 -7.05 46.55 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.205 -0.935 . . . . 1.34 109.308 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.2 mmt-85 -104.29 -23.54 13.21 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.454 -0.779 . . . . 1.23 109.943 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 p -107.9 -36.47 6.36 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.368 -0.832 . . . . 1.1 109.182 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.97 -42.64 94.57 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.079 -1.013 . . . . 3.48 109.818 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.2 m -55.25 -30.09 59.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.041 -1.037 . . . . 1.04 109.932 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -92.79 137.39 32.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.131 -0.981 . . . . 1.3 109.758 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -117.15 153.66 49.81 Favored Pre-proline 0 N--CA 1.497 1.91 0 N-CA-C 108.278 -1.008 . . . . 2.67 108.278 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.08 153.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 121.414 1.409 . . . . 0.74 112.188 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.51 133.5 22.68 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.511 -0.743 . . . . 1.08 110.209 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.7 m -111.08 161.46 15.88 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.907 -0.775 . . . . 1.17 108.907 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.76 106.26 49.06 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.381 -0.825 . . . . 0.42 109.179 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.66 -5.78 0.33 Allowed 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 121.607 1.538 . . . . 1.16 112.793 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mt -97.9 -68.5 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 120.915 -1.116 . . . . 1.19 110.243 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.9 p -104.47 21.45 16.69 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.32 -0.862 . . . . 0.5 109.413 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 47.5 17.78 0.09 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.646 -0.659 . . . . 1.1 111.429 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.59 141.57 47.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.965 -1.084 . . . . 1.08 108.277 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 t -96.41 115.41 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 120.853 -1.154 . . . . 1.14 110.33 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.429 HD11 HG22 ' A' ' 43' ' ' ILE . 33.1 mm -110.96 124.52 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 N-CA-C 107.235 -1.394 . . . . 1.07 107.235 177.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -69.85 -56.81 6.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.635 -1.291 . . . . 2.82 110.173 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -83.2 134.62 34.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.1 -1.0 . . . . 1.62 110.806 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.6 p -64.48 -40.17 95.18 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.437 -0.79 . . . . 0.93 110.928 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -56.87 -36.79 70.48 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.56 -1.338 . . . . 1.04 108.937 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -68.83 -28.11 66.44 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.206 -0.934 . . . . 0.34 109.212 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.49 -46.55 88.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.937 -1.102 . . . . 1.13 109.138 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -57.36 -43.23 83.34 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.872 -1.158 . . . . 3.75 107.872 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -60.41 -38.82 85.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.404 -0.81 . . . . 0.51 109.424 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -60.63 -39.42 88.2 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.488 -0.758 . . . . 0.37 109.911 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.44 -40.47 86.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.909 -1.12 . . . . 1.12 109.173 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.454 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 66.8 mm-40 -74.35 -26.77 60.33 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.612 -0.68 . . . . 2.08 112.236 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.5 mt -92.69 -44.04 8.76 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.641 -1.287 . . . . 1.17 112.793 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 3.5 mmp_? -103.98 20.63 17.84 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 120.418 -1.426 . . . . 2.91 112.745 -178.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.5 m-70 -152.74 -69.36 0.15 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.052 -1.655 . . . . 0.67 111.553 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -78.94 -2.36 39.64 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.51 -1.369 . . . . 1.04 108.599 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.302 -1.497 0 N-CA-C 109.0 -0.741 . . . . 1.2 109.0 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 120.888 0.375 . . . . 1.46 110.676 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -93.4 10.02 33.98 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.303 -0.873 . . . . 2.61 108.968 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.625 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 9.8 m170 -82.96 -30.32 0.48 Allowed Pre-proline 0 N--CA 1.497 1.888 0 N-CA-C 113.48 0.919 . . . . 3.96 113.48 -177.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.2 Cg_exo -52.04 145.55 33.1 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 121.941 1.761 . . . . 1.14 112.924 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.57 167.7 26.5 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.327 2.018 . . . . 1.52 112.025 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.28 28.7 61.46 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.612 -1.395 . . . . 1.41 109.612 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.444 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.2 t -91.65 87.2 6.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.936 -1.332 . . . . 1.49 109.572 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -84.34 139.16 32.47 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.19 -0.944 . . . . 2.59 109.643 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -86.31 116.25 65.13 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.872 . . . . 2.78 109.732 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -86.07 139.63 6.35 Favored 'Trans proline' 0 C--N 1.316 -1.174 0 C-N-CA 122.002 1.801 . . . . 1.04 110.877 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HG2' HH11 ' A' ' 25' ' ' ARG . 30.1 mtt-85 -67.32 -22.92 65.59 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 121.198 -0.939 . . . . 4.24 109.978 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.2 m -66.44 -12.5 57.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.072 -1.017 . . . . 1.34 111.025 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.525 ' CG ' HH11 ' A' ' 27' ' ' ARG . 0.1 OUTLIER -93.35 -19.31 21.46 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.498 -1.377 . . . . 1.23 110.853 -179.513 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.3 p -111.57 -40.32 4.38 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.008 -1.057 . . . . 1.1 109.83 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -59.79 -33.24 71.46 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.027 -1.045 . . . . 3.48 109.195 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.2 m -59.61 -37.76 79.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.336 -0.852 . . . . 1.04 109.964 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.538 ' OE2' ' NH2' ' A' ' 47' ' ' ARG . 67.3 mm-40 -86.86 137.3 32.52 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.905 -1.122 . . . . 1.3 109.029 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -110.26 149.67 40.47 Favored Pre-proline 0 N--CA 1.502 2.163 0 N-CA-C 108.235 -1.024 . . . . 2.67 108.235 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -38.09 154.9 0.03 OUTLIER 'Trans proline' 0 N--CA 1.486 1.072 0 C-N-CA 122.087 1.858 . . . . 0.74 111.527 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.96 128.82 16.35 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.161 -0.962 . . . . 1.08 110.451 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.0 m -112.24 153.26 27.38 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.483 0.659 . . . . 1.17 109.368 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.1 t -91.82 127.39 50.12 Favored Pre-proline 0 N--CA 1.492 1.657 0 N-CA-C 108.677 -0.86 . . . . 0.42 108.677 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.16 -5.01 15.83 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 121.42 1.414 . . . . 1.16 112.419 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -98.09 -42.07 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.179 -0.95 . . . . 1.19 110.384 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.6 21.62 4.29 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.454 -0.779 . . . . 0.5 110.669 -178.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 51.43 18.01 0.61 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.249 -0.907 . . . . 1.1 111.886 178.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.7 132.87 54.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.632 -1.292 . . . . 1.08 108.045 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.24 109.68 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 120.832 -1.168 . . . . 1.14 110.364 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.9 mm -110.53 125.15 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 107.991 -1.114 . . . . 1.07 107.991 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.505 HH11 ' HG2' ' A' ' 44' ' ' ARG . 22.0 mtt-85 -67.76 -57.3 6.58 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.084 -1.01 . . . . 2.82 111.223 -178.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -80.06 133.87 36.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.019 -1.05 . . . . 1.62 110.377 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.5 p -63.45 -36.9 85.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.192 -0.942 . . . . 0.93 109.372 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.538 ' NH2' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.4 -40.28 86.1 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.013 -1.054 . . . . 1.04 109.667 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -65.68 -30.37 71.05 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.086 -1.009 . . . . 0.34 109.229 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.23 -47.16 87.16 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.119 -0.988 . . . . 1.13 110.195 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -56.98 -40.58 76.8 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.525 -1.36 . . . . 3.75 108.146 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -60.79 -39.75 90.07 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.935 -0.765 . . . . 0.51 108.935 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -62.11 -35.17 77.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.567 -0.708 . . . . 0.37 109.793 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.79 -46.76 88.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.14 -0.975 . . . . 1.12 109.528 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.405 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 49.2 mt-10 -72.57 -17.13 61.73 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.277 -0.889 . . . . 2.08 111.984 -179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.16 -47.08 7.12 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.375 -1.453 . . . . 1.17 112.923 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.495 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 21.4 mmm180 -106.37 15.09 26.52 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 120.653 -1.28 . . . . 2.91 112.516 -177.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.495 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 87.5 m-70 -150.9 -74.25 0.15 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.281 -1.512 . . . . 0.67 111.006 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -78.88 13.19 1.81 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.248 -0.907 . . . . 1.04 108.925 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 57' ' ' HIS . . . . . . . . 0 C--N 1.301 -1.502 0 O-C-N 121.385 -0.822 . . . . 1.2 109.1 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.206 -0.664 . . . . 1.46 109.206 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -94.62 4.17 54.17 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.287 -0.883 . . . . 2.61 109.816 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.608 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 55.0 t-80 -80.02 -32.75 0.73 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.379 -0.825 . . . . 3.96 112.575 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 50.8 Cg_exo -53.66 145.23 49.63 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 121.935 1.756 . . . . 1.14 112.487 -178.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -75.92 171.54 17.96 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.451 2.101 . . . . 1.52 113.194 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.71 24.69 66.73 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.123 -1.191 . . . . 1.41 110.123 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 t -88.48 91.99 9.01 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.866 -1.373 . . . . 1.49 108.89 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -78.45 148.67 33.46 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.528 -0.733 . . . . 2.59 110.27 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -106.3 75.9 0.38 Allowed Pre-proline 0 N--CA 1.501 2.12 0 O-C-N 121.367 -0.833 . . . . 2.78 110.247 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -61.11 143.28 98.83 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.235 1.29 . . . . 1.04 111.494 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.466 ' HG2' HH11 ' A' ' 25' ' ' ARG . 21.5 mtt-85 -71.84 -9.83 58.89 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.455 -0.778 . . . . 4.24 109.766 -179.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 m -73.02 -6.21 43.98 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.171 -0.956 . . . . 1.34 110.019 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -109.99 -26.68 9.6 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.327 -0.858 . . . . 1.23 110.753 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 p -106.08 -33.82 7.75 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.208 -0.933 . . . . 1.1 109.171 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -58.98 -39.58 82.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.027 -1.046 . . . . 3.48 108.731 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.5 m -59.02 -20.26 51.48 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.036 -1.04 . . . . 1.04 109.662 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -88.02 134.33 33.76 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.116 -0.99 . . . . 1.3 110.732 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -116.19 152.87 48.34 Favored Pre-proline 0 N--CA 1.504 2.238 0 N-CA-C 108.937 -0.764 . . . . 2.67 108.937 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.85 150.23 23.52 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 121.757 1.638 . . . . 0.74 111.281 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -141.04 132.43 26.76 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.576 -0.703 . . . . 1.08 110.019 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -115.72 141.36 48.19 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.558 -0.714 . . . . 1.17 109.719 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.9 t -77.51 129.39 77.32 Favored Pre-proline 0 N--CA 1.493 1.701 0 N-CA-C 108.616 -0.883 . . . . 0.42 108.616 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -79.85 -6.93 14.4 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.207 1.271 . . . . 1.16 111.908 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.7 mt -97.3 -53.38 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.453 -0.779 . . . . 1.19 110.39 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.4 p -117.59 21.68 12.85 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.494 -0.754 . . . . 0.5 110.864 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 48.6 16.0 0.1 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.197 -0.939 . . . . 1.1 111.689 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.18 136.63 57.3 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.593 -1.317 . . . . 1.08 107.469 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.13 112.91 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.022 -1.049 . . . . 1.14 110.413 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.428 HD11 HG22 ' A' ' 43' ' ' ILE . 32.8 mm -108.99 129.4 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 107.712 -1.218 . . . . 1.07 107.712 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 44' ' ' ARG . 21.0 mtt-85 -74.98 -56.82 4.36 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.629 -1.294 . . . . 2.82 110.656 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.492 ' OE1' ' NE ' ' A' ' 47' ' ' ARG . 93.5 mt-30 -80.42 136.18 36.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.611 -1.305 . . . . 1.62 110.343 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.52 ' HG ' ' N ' ' A' ' 47' ' ' ARG . 51.9 p -67.89 -36.61 80.54 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.361 -0.837 . . . . 0.93 110.052 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.52 ' N ' ' HG ' ' A' ' 46' ' ' SER . 21.6 ptt180 -58.48 -38.56 77.88 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.618 -1.301 . . . . 1.04 108.944 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.49 -35.83 81.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.155 -0.966 . . . . 0.34 108.97 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.8 tp -52.2 -45.56 65.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.062 -1.024 . . . . 1.13 109.161 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -60.12 -40.32 89.32 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.671 -1.233 . . . . 3.75 107.671 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -64.38 -36.41 84.06 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.415 0.626 . . . . 0.51 109.529 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -62.41 -38.75 90.89 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.481 -0.762 . . . . 0.37 109.958 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.74 -42.08 92.39 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.024 -1.048 . . . . 1.12 109.032 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -73.33 -20.48 60.78 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.888 -1.132 . . . . 2.08 111.161 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.3 mt -84.37 -60.08 2.19 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.707 -1.246 . . . . 1.17 112.835 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.4 mmm180 -105.85 27.91 8.06 Favored 'General case' 0 N--CA 1.511 2.587 0 O-C-N 120.694 -1.254 . . . . 2.91 112.522 -176.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.9 m-70 -151.97 -75.86 0.13 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.139 -1.601 . . . . 0.67 110.93 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -75.96 5.42 6.57 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.144 -0.972 . . . . 1.04 110.046 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.315 -0.866 . . . . 1.2 109.844 179.797 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.586 -0.524 . . . . 1.46 109.586 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -93.85 5.41 51.74 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.427 -0.795 . . . . 2.61 110.01 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.606 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 28.6 t-80 -78.85 -31.42 0.73 Allowed Pre-proline 0 C--N 1.3 -1.572 0 O-C-N 120.891 -1.131 . . . . 3.96 112.466 -178.272 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 71.7 Cg_exo -49.75 147.8 13.27 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 121.779 1.653 . . . . 1.14 111.458 -178.471 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.18 171.09 18.69 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.982 1.788 . . . . 1.52 112.333 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.62 24.99 61.53 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 110.609 -0.996 . . . . 1.41 110.609 179.379 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.96 88.61 7.38 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.751 -1.441 . . . . 1.49 109.479 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -77.76 150.39 34.37 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 121.148 -0.97 . . . . 2.59 109.367 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -107.12 69.5 0.25 Allowed Pre-proline 0 N--CA 1.503 2.213 0 O-C-N 121.259 -0.9 . . . . 2.78 110.692 179.19 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -65.13 141.77 71.11 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 121.289 1.326 . . . . 1.04 110.696 178.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -71.77 -3.88 24.56 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.134 -0.979 . . . . 4.24 109.861 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 m -70.16 -4.93 23.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.428 -0.795 . . . . 1.34 110.491 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -103.3 -26.63 12.87 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.873 -1.142 . . . . 1.23 109.678 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.3 p -101.87 -36.81 8.52 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.203 -0.935 . . . . 1.1 110.022 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -60.87 -31.6 71.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.447 -0.783 . . . . 3.48 110.086 -179.018 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.2 m -58.79 -32.97 69.81 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.319 -0.863 . . . . 1.04 108.845 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -89.72 151.57 21.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.176 -0.953 . . . . 1.3 110.595 -179.371 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.618 ' NE2' ' N ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -118.04 156.06 50.67 Favored Pre-proline 0 N--CA 1.497 1.878 0 N-CA-C 108.022 -1.103 . . . . 2.67 108.022 178.593 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -47.46 157.45 0.81 Allowed 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.527 1.485 . . . . 0.74 111.635 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.25 136.16 26.15 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.987 -1.071 . . . . 1.08 110.498 -179.435 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.7 m -117.77 146.94 43.45 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 108.719 -0.845 . . . . 1.17 108.719 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -86.21 129.22 54.54 Favored Pre-proline 0 C--N 1.296 -1.721 0 O-C-N 121.382 -0.824 . . . . 0.42 109.145 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.08 -2.55 12.64 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 120.938 1.092 . . . . 1.16 112.488 -179.479 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.2 mt -99.75 -56.21 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.241 -0.912 . . . . 1.19 110.386 -179.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.1 p -114.7 14.54 17.55 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.602 -0.686 . . . . 0.5 110.243 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 55.5 18.19 2.57 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.173 -0.954 . . . . 1.1 110.936 179.284 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.39 141.02 43.66 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.634 -1.247 . . . . 1.08 107.634 178.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.7 t -96.79 112.78 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.68 -1.263 . . . . 1.14 110.125 -178.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.1 mm -110.23 130.45 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 N-CA-C 108.17 -1.048 . . . . 1.07 108.17 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -75.83 -63.4 1.31 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.67 -1.269 . . . . 2.82 109.782 -178.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -77.86 133.05 38.22 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.33 -0.856 . . . . 1.62 111.042 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.8 p -62.18 -35.81 79.96 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.551 -0.718 . . . . 0.93 111.377 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.3 ptp180 -58.22 -39.61 79.51 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.546 -1.346 . . . . 1.04 108.746 -179.376 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.404 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 88.4 m-20 -67.76 -30.09 69.46 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.499 -0.75 . . . . 0.34 109.57 179.476 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.81 -44.75 86.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.048 -1.033 . . . . 1.13 109.15 -179.48 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -61.7 -39.18 90.58 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.752 -1.218 . . . . 3.75 108.403 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -65.53 -36.33 83.5 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.693 0.759 . . . . 0.51 109.466 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -63.32 -32.6 74.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.352 -0.843 . . . . 0.37 110.14 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 58' ' ' PHE . 90.0 mt -65.72 -40.81 92.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.542 -1.349 . . . . 1.12 109.371 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -72.13 -27.85 62.88 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.419 -0.8 . . . . 2.08 111.192 -179.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.0 mt -91.05 -21.28 21.32 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.647 -1.283 . . . . 1.17 113.297 -177.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.536 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 24.6 mmm180 -127.01 -0.95 6.54 Favored 'General case' 0 N--CA 1.513 2.712 0 O-C-N 120.663 -1.273 . . . . 2.91 112.246 -178.15 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 53.0 m-70 -146.69 -63.33 0.3 Allowed 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.036 -1.665 . . . . 0.67 110.237 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 53' ' ' LEU . 29.1 m-85 -78.37 17.15 0.68 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.185 -0.947 . . . . 1.04 108.642 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 57' ' ' HIS . . . . . . . . 0 C--N 1.297 -1.71 0 C-N-CA 119.827 -0.749 . . . . 1.2 109.353 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.014 0 CA-C-O 120.928 0.394 . . . . 1.46 110.216 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -89.0 16.18 7.44 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.978 -0.749 . . . . 2.61 108.978 178.639 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 13.7 t60 -80.8 -31.43 0.61 Allowed Pre-proline 0 N--CA 1.495 1.804 0 O-C-N 121.226 -0.921 . . . . 3.96 112.383 -178.375 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 82.0 Cg_exo -51.24 141.69 38.63 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 121.963 1.775 . . . . 1.14 111.964 -178.85 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.5 174.86 12.15 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.256 1.971 . . . . 1.52 111.423 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.57 25.38 63.15 Favored Glycine 0 N--CA 1.491 2.347 0 C-N-CA 119.909 -1.139 . . . . 1.41 110.533 179.034 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.34 93.12 8.9 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.25 -1.147 . . . . 1.49 108.568 179.135 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.98 154.59 39.24 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.533 -0.914 . . . . 2.59 108.533 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -105.93 71.86 0.25 Allowed Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 121.405 -0.809 . . . . 2.78 110.349 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -69.6 136.46 33.48 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.694 1.596 . . . . 1.04 110.372 179.238 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.517 ' HG2' HH11 ' A' ' 25' ' ' ARG . 18.0 mtt-85 -73.84 -6.16 45.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.096 -1.003 . . . . 4.24 110.619 -179.146 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -73.95 -7.64 53.11 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.334 -0.854 . . . . 1.34 111.412 -179.031 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -98.89 -26.94 14.12 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.865 -1.147 . . . . 1.23 109.432 -179.377 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 p -105.27 -44.19 4.81 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.281 -0.887 . . . . 1.1 109.511 179.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -57.12 -34.2 68.13 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.39 -0.819 . . . . 3.48 109.891 -178.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.5 m -55.33 -29.99 59.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.916 -1.115 . . . . 1.04 109.606 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.526 ' CG ' HH21 ' A' ' 47' ' ' ARG . 72.8 mm-40 -93.73 143.77 26.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.901 -1.124 . . . . 1.3 110.604 -179.179 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -115.95 150.49 45.12 Favored Pre-proline 0 N--CA 1.501 2.08 0 N-CA-C 108.843 -0.799 . . . . 2.67 108.843 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -37.23 157.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.445 2.096 . . . . 0.74 112.4 -179.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.88 134.63 16.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.214 -0.929 . . . . 1.08 110.964 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.436 ' CG2' ' N ' ' A' ' 36' ' ' CYS . 98.5 m -115.71 162.06 17.81 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.415 -0.803 . . . . 1.17 110.089 179.222 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.436 ' N ' ' CG2' ' A' ' 35' ' ' THR . 7.8 t -105.22 102.9 39.35 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.547 -0.72 . . . . 0.42 109.643 179.583 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -55.66 -2.94 0.34 Allowed 'Trans proline' 0 N--CA 1.504 2.136 0 C-N-CA 122.194 1.93 . . . . 1.16 113.737 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 89.4 mt -98.01 -55.13 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.834 -1.166 . . . . 1.19 110.278 -179.448 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.9 p -115.92 6.48 14.22 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.472 -0.768 . . . . 0.5 109.506 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 61.78 22.99 13.42 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 122.069 -0.394 . . . . 1.1 111.81 178.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.57 135.62 57.81 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.929 -1.137 . . . . 1.08 107.929 177.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.3 109.67 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.079 -1.013 . . . . 1.14 109.613 -179.443 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mm -110.88 129.35 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 107.881 -1.155 . . . . 1.07 107.881 178.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.494 HH11 ' HG2' ' A' ' 44' ' ' ARG . 25.3 mtt-85 -73.13 -61.8 1.69 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.944 -1.097 . . . . 2.82 110.35 -178.78 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -76.34 135.65 39.54 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.647 -1.283 . . . . 1.62 110.181 -179.513 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.7 p -67.23 -36.78 82.38 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.605 -0.685 . . . . 0.93 110.587 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.526 HH21 ' CG ' ' A' ' 31' ' ' GLU . 11.9 ptp180 -58.2 -37.65 75.22 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.094 -1.004 . . . . 1.04 108.938 -179.17 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.25 -32.28 71.38 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.374 -0.829 . . . . 0.34 110.215 179.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.0 tp -56.81 -46.37 81.65 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.767 -1.208 . . . . 1.13 109.185 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -56.84 -40.02 75.32 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 107.857 -1.164 . . . . 3.75 107.857 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -63.74 -40.4 96.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.373 -0.829 . . . . 0.51 108.907 178.635 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -59.47 -38.53 81.02 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.546 -0.721 . . . . 0.37 109.102 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 58' ' ' PHE . 88.8 mt -57.6 -40.54 79.33 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.941 -1.099 . . . . 1.12 108.834 179.432 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 76.5 mm-40 -72.17 -19.74 61.71 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.314 -0.866 . . . . 2.08 110.792 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.7 mt -83.88 -57.69 3.1 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.752 -1.218 . . . . 1.17 112.604 -178.11 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.593 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 22.7 mmm180 -105.81 9.64 32.85 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.827 -1.171 . . . . 2.91 112.638 -176.623 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 31.0 m-70 -143.72 -70.6 0.31 Allowed 'General case' 0 N--CA 1.511 2.613 0 O-C-N 120.571 -1.331 . . . . 0.67 110.675 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 53' ' ' LEU . 31.6 m-85 -80.74 22.42 0.6 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.175 -0.953 . . . . 1.04 109.543 -179.458 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.295 -1.791 0 O-C-N 121.481 -0.762 . . . . 1.2 110.213 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 121.058 0.456 . . . . 1.46 110.341 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -90.51 9.34 29.76 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.758 -0.83 . . . . 2.61 108.758 179.106 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.61 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.5 t60 -81.22 -30.2 0.54 Allowed Pre-proline 0 N--CA 1.501 2.096 0 N-CA-C 113.484 0.92 . . . . 3.96 113.484 -177.519 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 56.8 Cg_exo -53.32 144.51 49.03 Favored 'Trans proline' 0 N--CA 1.501 1.942 0 C-N-CA 122.444 2.096 . . . . 1.14 113.056 -178.397 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.76 175.43 10.31 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.502 2.135 . . . . 1.52 112.059 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.2 27.04 64.78 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.081 -1.207 . . . . 1.41 110.081 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.56 96.18 10.52 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.96 -1.318 . . . . 1.49 108.85 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -72.46 152.0 42.21 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.226 -0.921 . . . . 2.59 109.26 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HZ2' ' CA ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -106.1 76.41 0.38 Allowed Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 121.488 -0.757 . . . . 2.78 111.524 -178.459 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.76 132.98 17.88 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 121.143 1.229 . . . . 1.04 111.084 178.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HG2' HH11 ' A' ' 25' ' ' ARG . 5.2 mmt-85 -76.49 -6.61 52.52 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.328 -0.857 . . . . 4.24 109.637 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.4 m -72.73 -7.51 50.9 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.136 -0.978 . . . . 1.34 109.905 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.449 HH11 ' HG2' ' A' ' 27' ' ' ARG . 7.6 mmt-85 -95.93 -29.18 14.31 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.123 -0.985 . . . . 1.23 110.608 -179.259 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 p -107.2 -43.63 4.55 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.291 -0.881 . . . . 1.1 109.775 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.95 -39.82 86.88 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.098 -1.001 . . . . 3.48 109.243 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -56.59 -27.58 58.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.475 -0.765 . . . . 1.04 110.016 -179.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -89.31 146.99 24.34 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.054 -1.029 . . . . 1.3 109.52 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -121.61 151.92 57.72 Favored Pre-proline 0 N--CA 1.507 2.398 0 O-C-N 121.257 -0.902 . . . . 2.67 109.4 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -43.91 153.42 0.29 Allowed 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.969 1.779 . . . . 0.74 112.584 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -142.48 134.28 26.95 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.279 -0.888 . . . . 1.08 110.271 179.779 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.9 m -115.55 142.33 46.86 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.677 0.751 . . . . 1.17 109.605 179.373 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.5 t -79.69 132.82 60.26 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.403 -0.962 . . . . 0.42 108.403 179.124 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.81 -8.34 15.68 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 121.537 1.492 . . . . 1.16 111.953 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -96.63 -56.17 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.292 -0.88 . . . . 1.19 110.995 -178.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.6 p -115.97 19.19 15.21 Favored 'General case' 0 N--CA 1.508 2.472 0 O-C-N 121.248 -0.907 . . . . 0.5 111.274 -178.624 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 53.4 20.2 1.9 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.955 -1.09 . . . . 1.1 111.453 178.549 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.5 141.2 55.32 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 106.66 -1.607 . . . . 1.08 106.66 177.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.3 t -97.42 115.87 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 120.837 -1.164 . . . . 1.14 109.756 -179.336 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.537 ' O ' ' N ' ' A' ' 34' ' ' ALA . 38.8 mm -110.84 130.75 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 108.163 -1.051 . . . . 1.07 108.163 179.033 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -75.78 -64.3 1.11 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.664 -1.273 . . . . 2.82 110.662 -178.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -79.71 138.52 37.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.022 -1.049 . . . . 1.62 109.962 -179.514 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.485 ' HG ' ' N ' ' A' ' 47' ' ' ARG . 33.5 p -63.01 -38.93 93.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.172 -0.955 . . . . 0.93 109.895 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.485 ' N ' ' HG ' ' A' ' 46' ' ' SER . 12.2 ptp180 -51.39 -41.82 60.97 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.812 -1.18 . . . . 1.04 109.525 -179.462 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.445 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 93.3 m-20 -67.29 -27.67 67.37 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.435 -0.791 . . . . 0.34 110.022 179.586 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.22 -46.58 88.08 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.994 -1.066 . . . . 1.13 108.985 -179.104 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -59.95 -40.0 87.51 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 119.097 -1.041 . . . . 3.75 108.809 179.685 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -65.91 -31.4 72.3 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.549 -0.861 . . . . 0.51 109.779 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -65.86 -40.77 91.98 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.313 -0.867 . . . . 0.37 109.704 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.09 -39.21 85.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.246 -0.909 . . . . 1.12 109.281 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 94.3 mt-10 -71.36 -28.71 64.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.511 -0.743 . . . . 2.08 112.119 -178.919 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -91.69 -43.98 9.28 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.712 -1.242 . . . . 1.17 112.812 -177.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 20.6 mmm-85 -106.0 17.5 23.51 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 120.835 -1.165 . . . . 2.91 113.037 -177.118 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.0 m-70 -154.6 -68.54 0.13 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.138 -1.601 . . . . 0.67 110.413 179.131 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -80.47 4.76 17.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.137 -0.977 . . . . 1.04 110.179 -179.127 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.087 -1.008 . . . . 1.2 108.671 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.813 0 N-CA-C 109.135 -0.691 . . . . 1.46 109.135 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -90.85 8.09 36.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.287 -0.883 . . . . 2.61 109.777 179.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.612 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 23.7 m80 -82.64 -28.76 0.45 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.277 -0.889 . . . . 3.96 113.351 -177.717 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.3 Cg_exo -50.88 144.87 25.81 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.643 1.562 . . . . 1.14 112.583 -177.435 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.65 171.68 17.29 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.719 2.279 . . . . 1.52 112.124 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.65 28.73 54.45 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.935 -1.266 . . . . 1.41 109.935 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.514 ' O ' ' CG2' ' A' ' 21' ' ' THR . 13.1 t -94.01 94.9 8.7 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.301 -1.117 . . . . 1.49 108.913 179.023 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -81.39 141.7 33.7 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.228 -1.027 . . . . 2.59 108.228 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HZ1' ' HA ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -106.38 76.04 0.39 Allowed Pre-proline 0 N--CA 1.496 1.825 0 O-C-N 121.433 -0.792 . . . . 2.78 111.741 -178.653 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -69.62 149.08 67.31 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.047 1.832 . . . . 1.04 109.295 177.406 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HG2' ' NH1' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -74.31 -7.74 53.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.833 -1.167 . . . . 4.24 109.953 -179.132 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -72.87 -0.94 14.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.222 -0.924 . . . . 1.34 111.633 -178.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -99.02 -28.49 13.38 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.701 -1.249 . . . . 1.23 111.097 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -112.77 -37.56 4.83 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.163 -0.961 . . . . 1.1 109.856 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -59.83 -39.82 86.4 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.327 -0.858 . . . . 3.48 110.2 -178.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -56.12 -30.09 61.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.51 -0.744 . . . . 1.04 110.842 -179.362 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.534 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 78.1 mm-40 -83.11 141.91 31.64 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.082 -1.011 . . . . 1.3 110.004 -179.614 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -118.35 149.5 46.04 Favored Pre-proline 0 N--CA 1.506 2.35 0 O-C-N 121.701 -0.624 . . . . 2.67 109.971 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -39.72 153.93 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.974 1.783 . . . . 0.74 113.088 178.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.62 137.09 21.27 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.29 -0.882 . . . . 1.08 110.277 179.003 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.4 m -117.22 147.94 42.06 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.418 -0.801 . . . . 1.17 109.923 179.278 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.1 t -83.79 125.5 73.08 Favored Pre-proline 0 N--CA 1.496 1.866 0 O-C-N 121.316 -0.865 . . . . 0.42 108.686 179.321 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -78.95 4.72 6.26 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.242 1.295 . . . . 1.16 111.774 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mt -106.39 -50.67 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.468 -0.77 . . . . 1.19 110.729 -178.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.8 p -122.31 15.5 10.53 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.27 -0.894 . . . . 0.5 109.532 -179.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 55.62 17.07 2.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.703 -0.623 . . . . 1.1 111.333 179.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.19 139.49 52.44 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.407 -1.331 . . . . 1.08 107.407 177.726 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.12 117.0 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 120.803 -1.185 . . . . 1.14 109.971 -179.342 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.3 mm -113.91 131.35 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 N-CA-C 107.457 -1.312 . . . . 1.07 107.457 178.72 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -75.0 -60.03 2.47 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.695 -1.253 . . . . 2.82 110.309 -179.027 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -78.96 133.61 36.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.989 -1.07 . . . . 1.62 111.188 -178.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -62.96 -35.76 81.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.451 -0.781 . . . . 0.93 109.647 179.212 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.534 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.71 -38.91 82.94 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.711 -1.243 . . . . 1.04 108.553 179.713 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -71.22 -22.22 62.03 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.836 -1.165 . . . . 0.34 109.823 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.34 -46.39 90.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.948 -1.095 . . . . 1.13 108.566 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.21 -39.96 92.19 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.095 -1.003 . . . . 3.75 108.752 179.344 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.99 -40.13 88.12 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.499 -0.926 . . . . 0.51 108.499 178.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -61.18 -39.3 89.66 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.441 -0.787 . . . . 0.37 109.434 179.323 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 58' ' ' PHE . 88.7 mt -60.01 -38.7 83.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.003 -1.061 . . . . 1.12 110.235 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -75.81 -27.95 58.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.926 -1.109 . . . . 2.08 111.49 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.7 mt -88.48 -42.51 12.07 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.263 -1.523 . . . . 1.17 112.088 -177.413 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.433 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 18.2 mmm180 -108.83 14.26 24.37 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.828 -1.17 . . . . 2.91 112.986 -177.345 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.433 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.3 m-70 -152.7 -71.82 0.15 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 119.968 -1.707 . . . . 0.67 110.758 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 53' ' ' LEU . 64.4 m-85 -80.7 17.54 1.13 Allowed 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.418 -0.801 . . . . 1.04 109.282 -179.438 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.486 -0.759 . . . . 1.2 109.231 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.263 0 CA-C-O 121.148 0.499 . . . . 1.46 110.642 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -86.5 14.68 6.4 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.453 -0.78 . . . . 2.61 110.438 179.515 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.616 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 16.3 m-70 -81.97 -25.59 0.4 Allowed Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 120.985 -1.072 . . . . 3.96 113.557 -177.848 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 88.1 Cg_exo -50.56 136.98 41.28 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.291 1.327 . . . . 1.14 111.968 -179.041 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -79.37 178.23 7.66 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 123.258 2.639 . . . . 1.52 111.947 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.43 30.0 63.1 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 120.029 -1.081 . . . . 1.41 110.47 179.002 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.38 93.69 9.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -1.182 . . . . 1.49 109.886 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mp0 -77.77 158.33 29.62 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.097 -1.002 . . . . 2.59 108.628 178.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -108.68 65.47 0.29 Allowed Pre-proline 0 N--CA 1.502 2.131 0 O-C-N 121.304 -0.873 . . . . 2.78 112.145 -179.122 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -45.3 132.37 11.96 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.076 1.184 . . . . 1.04 111.782 179.361 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -63.45 -33.81 76.37 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.451 -0.781 . . . . 4.24 110.931 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.6 m -71.56 -1.98 15.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.038 -1.039 . . . . 1.34 111.819 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -97.94 -26.43 14.65 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.654 -1.278 . . . . 1.23 110.998 -179.073 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.422 ' H ' ' HG ' ' A' ' 28' ' ' SER . 4.4 p -109.71 -35.98 6.05 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.239 -1.023 . . . . 1.1 108.239 179.032 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.37 -38.42 83.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.297 -0.877 . . . . 3.48 109.297 179.104 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.0 m -50.87 -23.54 2.89 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.291 -0.881 . . . . 1.04 109.638 -179.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -82.51 149.83 27.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.889 -1.132 . . . . 1.3 109.748 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.437 ' O ' ' O ' ' A' ' 44' ' ' ARG . 22.9 mm100 -121.31 151.89 56.7 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 121.501 -0.749 . . . . 2.67 109.031 179.886 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.29 151.7 42.8 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.985 1.79 . . . . 0.74 111.06 178.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -146.68 139.67 25.39 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.092 -1.005 . . . . 1.08 111.391 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.3 m -116.22 160.69 20.07 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 109.071 -0.715 . . . . 1.17 109.071 178.656 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 40' ' ' TYR . 2.2 t -104.9 104.66 47.61 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.336 -0.853 . . . . 0.42 109.063 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.84 -4.41 0.24 Allowed 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 122.079 1.853 . . . . 1.16 113.438 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -97.01 -64.46 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.043 -1.035 . . . . 1.19 110.02 -179.09 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.7 p -105.99 10.27 32.31 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.417 -0.802 . . . . 0.5 108.952 179.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 36' ' ' CYS . 77.9 m-85 58.48 17.38 4.84 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.664 -0.647 . . . . 1.1 110.58 179.541 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.13 139.87 45.92 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.546 -1.347 . . . . 1.08 108.02 178.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.61 110.71 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.147 -0.97 . . . . 1.14 109.972 -179.372 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' ALA . 28.5 mm -108.01 130.29 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 107.739 -1.208 . . . . 1.07 107.739 178.858 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 32' ' ' GLN . 70.9 mtt180 -73.78 -60.98 2.0 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.611 -0.836 . . . . 2.82 110.48 -178.567 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.657 HE22 ' NH2' ' A' ' 47' ' ' ARG . 89.9 mt-30 -80.22 132.94 35.96 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.959 -1.088 . . . . 1.62 110.014 -179.36 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.3 p -63.08 -33.12 74.76 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.057 -1.027 . . . . 0.93 109.758 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.657 ' NH2' HE22 ' A' ' 45' ' ' GLN . 27.6 ptt180 -60.27 -42.51 95.54 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.889 -1.132 . . . . 1.04 108.758 179.297 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -64.91 -27.9 69.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.269 -0.895 . . . . 0.34 108.941 178.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.33 -42.8 96.38 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.402 -1.436 . . . . 1.13 109.367 179.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' A' ' 50' ' ' ARG . 52.3 mtt-85 -59.96 -41.95 93.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.049 -1.032 . . . . 3.75 109.113 -179.294 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -64.88 -34.66 78.93 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.388 -0.82 . . . . 0.51 109.472 178.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -63.36 -36.64 84.39 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.276 -0.89 . . . . 0.37 110.252 -179.6 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.12 -45.95 91.25 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.268 -0.895 . . . . 1.12 109.296 -179.818 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 86.8 mt-10 -72.06 -27.21 62.53 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.168 -0.958 . . . . 2.08 113.073 -178.636 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.8 mt -92.82 -35.09 13.58 Favored 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.267 -1.52 . . . . 1.17 112.514 -177.448 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.55 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.1 mmm180 -109.21 20.09 18.71 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 120.612 -1.305 . . . . 2.91 112.334 -177.275 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.5 m-70 -156.09 -69.19 0.11 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.176 -1.578 . . . . 0.67 110.835 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -78.15 -2.38 37.25 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.922 -1.112 . . . . 1.04 109.621 -179.375 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.72 0 O-C-N 121.212 -0.93 . . . . 1.2 108.545 178.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 120.949 0.404 . . . . 1.46 110.218 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -89.97 13.95 13.43 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.27 -0.894 . . . . 2.61 109.321 178.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.622 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 42.1 m80 -80.45 -30.69 0.6 Allowed Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.112 -0.992 . . . . 3.96 112.394 -178.42 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 48.4 Cg_exo -57.36 146.43 82.84 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 121.89 1.726 . . . . 1.14 112.32 -179.328 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.29 178.48 7.45 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.401 2.067 . . . . 1.52 111.945 178.779 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.3 26.86 62.85 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.516 -1.033 . . . . 1.41 110.516 178.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.0 t -89.28 94.74 10.02 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.014 -1.286 . . . . 1.49 109.576 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -84.27 145.01 28.53 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.207 -1.034 . . . . 2.59 108.207 179.152 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -105.22 76.8 0.33 Allowed Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.418 -0.801 . . . . 2.78 110.319 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.24 144.13 45.55 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.435 1.423 . . . . 1.04 111.556 179.07 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.485 ' HG2' HH11 ' A' ' 25' ' ' ARG . 29.6 mtt-85 -69.84 -9.44 54.77 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.375 -0.828 . . . . 4.24 109.829 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -71.23 -9.67 58.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.328 -0.858 . . . . 1.34 110.429 -179.424 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -102.8 -25.3 13.56 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.951 -1.093 . . . . 1.23 110.206 -179.377 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 p -105.41 -33.03 8.29 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.094 -1.004 . . . . 1.1 109.557 -179.664 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -64.31 -31.08 72.15 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.072 -1.017 . . . . 3.48 109.418 179.663 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -58.06 -29.73 65.63 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.563 -0.711 . . . . 1.04 109.661 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.588 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 62.2 mm-40 -95.34 139.73 31.23 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.32 -0.863 . . . . 1.3 109.925 -179.246 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.468 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 23.8 mp0 -114.22 152.21 45.71 Favored Pre-proline 0 N--CA 1.5 2.061 0 N-CA-C 108.378 -0.971 . . . . 2.67 108.378 178.868 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -42.03 156.2 0.08 OUTLIER 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.4 2.066 . . . . 0.74 112.376 179.609 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -146.04 139.63 26.21 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.065 -1.022 . . . . 1.08 110.535 179.425 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.0 m -117.69 158.56 24.47 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 115.926 -0.579 . . . . 1.17 109.523 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 40' ' ' TYR . 5.9 t -104.6 103.39 39.74 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.513 -0.742 . . . . 0.42 109.622 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.02 -4.79 0.4 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 121.816 1.677 . . . . 1.16 113.219 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.0 mt -95.8 -50.03 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 120.884 -1.135 . . . . 1.19 110.153 -179.025 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.4 p -123.32 14.28 9.64 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 108.602 -0.888 . . . . 0.5 108.602 179.664 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' CYS . 80.6 m-85 53.65 15.1 0.7 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.832 -0.543 . . . . 1.1 110.961 178.793 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.61 139.44 38.45 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.67 -1.233 . . . . 1.08 107.67 178.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -94.3 109.3 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.137 -0.977 . . . . 1.14 110.915 -178.168 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 34' ' ' ALA . 47.1 mm -106.0 130.12 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 108.421 -0.955 . . . . 1.07 108.421 178.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -75.2 -61.85 1.76 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.802 -1.186 . . . . 2.82 110.92 -178.638 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -80.12 130.25 35.1 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.078 -1.014 . . . . 1.62 110.686 -179.301 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -60.77 -33.27 72.7 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.328 -0.857 . . . . 0.93 109.678 179.792 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.588 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.96 -37.88 80.87 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.945 -1.102 . . . . 1.04 108.509 179.61 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -69.92 -30.3 67.67 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.324 -0.86 . . . . 0.34 109.768 178.894 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.7 tp -56.36 -46.7 79.9 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.751 -1.218 . . . . 1.13 108.807 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -58.0 -39.9 79.39 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.669 -1.234 . . . . 3.75 107.669 179.398 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -63.85 -40.51 96.73 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.793 0.806 . . . . 0.51 109.325 179.346 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -60.23 -38.3 83.0 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.639 -0.663 . . . . 0.37 109.244 -179.621 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.7 -41.95 91.9 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.901 -1.125 . . . . 1.12 109.878 -179.473 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 95.3 mt-10 -75.62 -16.75 60.18 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.486 -0.759 . . . . 2.08 112.958 -178.766 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.5 mt -95.7 -44.15 7.58 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.326 -1.484 . . . . 1.17 112.035 -177.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 23.3 mmm180 -108.89 16.28 22.82 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 121.099 -1.001 . . . . 2.91 111.938 -178.087 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.3 m-70 -150.67 -75.64 0.15 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.253 -1.529 . . . . 0.67 110.133 -179.853 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -80.88 16.51 1.43 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.205 -0.934 . . . . 1.04 110.266 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.496 1.868 0 O-C-N 121.202 -0.936 . . . . 1.2 109.936 -179.739 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.219 0.533 . . . . 1.46 110.584 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -90.46 7.86 36.71 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.361 -0.837 . . . . 2.61 109.184 178.29 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.597 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.5 m80 -78.76 -27.79 0.54 Allowed Pre-proline 0 N--CA 1.505 2.292 0 N-CA-C 113.69 0.996 . . . . 3.96 113.69 -177.717 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 75.6 Cg_exo -52.0 146.34 29.98 Favored 'Trans proline' 0 N--CA 1.5 1.909 0 C-N-CA 121.186 1.257 . . . . 1.14 112.114 -178.308 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.51 168.26 21.6 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.22 1.946 . . . . 1.52 112.557 -179.353 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.45 29.15 60.35 Favored Glycine 0 N--CA 1.496 2.634 0 C-N-CA 120.235 -0.983 . . . . 1.41 111.112 178.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.07 84.15 3.48 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.914 -1.345 . . . . 1.49 109.49 179.803 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -78.26 145.84 35.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.947 -1.096 . . . . 2.59 109.011 179.76 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -90.52 110.94 44.62 Favored Pre-proline 0 N--CA 1.499 1.994 0 O-C-N 121.121 -0.987 . . . . 2.78 110.399 -179.502 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -84.24 140.16 8.52 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 121.66 1.574 . . . . 1.04 111.051 178.598 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 6.5 mpt_? -70.28 -14.46 62.6 Favored 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 119.01 -1.076 . . . . 4.24 109.123 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -69.98 -10.3 58.12 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.356 -0.84 . . . . 1.34 111.219 -179.228 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.405 ' HG2' HH11 ' A' ' 27' ' ' ARG . 6.7 mmt-85 -99.95 -17.7 17.43 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.823 -1.173 . . . . 1.23 110.423 -179.579 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 p -109.88 -44.12 3.87 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.069 -1.02 . . . . 1.1 110.257 -179.795 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -61.82 -23.08 66.01 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.337 -0.852 . . . . 3.48 109.773 -179.23 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.3 m -58.81 -39.03 79.94 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.524 -0.735 . . . . 1.04 109.942 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.559 ' CG ' HH21 ' A' ' 47' ' ' ARG . 80.5 mm-40 -96.68 148.32 22.99 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.273 -0.892 . . . . 1.3 109.661 -179.772 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -113.13 150.37 42.86 Favored Pre-proline 0 N--CA 1.503 2.191 0 N-CA-C 108.349 -0.982 . . . . 2.67 108.349 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -39.07 154.81 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.189 0 C-N-CA 121.779 1.653 . . . . 0.74 111.762 -179.713 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.46 139.26 28.2 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.295 -0.878 . . . . 1.08 110.18 -179.337 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.2 m -117.07 159.55 22.38 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 109.134 -0.691 . . . . 1.17 109.134 178.633 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 40' ' ' TYR . 3.8 t -101.97 106.43 47.46 Favored Pre-proline 0 N--CA 1.499 2.018 0 O-C-N 121.602 -0.686 . . . . 0.42 109.959 179.844 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -55.57 -7.11 1.22 Allowed 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 121.715 1.61 . . . . 1.16 113.47 179.163 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.9 mt -97.01 -51.02 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 120.741 -1.224 . . . . 1.19 110.478 -178.36 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.4 p -123.74 22.14 9.05 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.531 -0.731 . . . . 0.5 109.365 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.411 ' N ' ' O ' ' A' ' 36' ' ' CYS . 80.4 m-85 48.7 17.93 0.17 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.636 -0.665 . . . . 1.1 112.175 178.516 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.3 136.59 56.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.486 -1.383 . . . . 1.08 108.454 178.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.6 t -92.17 116.22 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.057 -1.027 . . . . 1.14 110.115 -179.115 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 34' ' ' ALA . 28.8 mm -114.05 129.79 69.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 108.036 -1.098 . . . . 1.07 108.036 178.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -73.64 -65.09 0.87 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.956 -1.09 . . . . 2.82 111.22 -179.448 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -79.98 137.9 36.94 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.209 -1.557 . . . . 1.62 111.417 -178.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.3 p -62.49 -34.2 76.39 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.454 -0.779 . . . . 0.93 109.865 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.559 HH21 ' CG ' ' A' ' 31' ' ' GLU . 12.2 ptp180 -60.05 -38.57 83.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.991 -1.068 . . . . 1.04 108.585 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -68.18 -31.04 70.29 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.585 -0.697 . . . . 0.34 109.16 179.128 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.81 -42.2 92.93 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 118.884 -1.126 . . . . 1.13 108.841 -179.09 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -59.95 -41.46 91.93 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.998 -1.064 . . . . 3.75 108.298 179.442 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -64.56 -37.18 86.67 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.469 -0.769 . . . . 0.51 109.629 179.211 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -61.28 -40.77 95.36 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.306 -0.871 . . . . 0.37 109.356 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.84 -40.66 89.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.383 -0.823 . . . . 1.12 110.081 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 81.0 mm-40 -74.47 -24.77 59.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.198 -0.939 . . . . 2.08 112.262 -179.21 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.536 ' C ' ' HE ' ' A' ' 56' ' ' ARG . 94.5 mt -93.23 -41.64 9.78 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.576 -1.327 . . . . 1.17 112.333 -177.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.536 ' HE ' ' C ' ' A' ' 55' ' ' LEU . 4.0 mmp_? -104.25 14.26 30.65 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.729 -1.232 . . . . 2.91 111.968 -177.533 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.7 m-70 -153.59 -70.9 0.14 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 119.996 -1.69 . . . . 0.67 111.069 179.861 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -81.96 14.79 2.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.964 -1.085 . . . . 1.04 109.511 -179.803 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.302 -1.484 0 O-C-N 121.426 -0.796 . . . . 1.2 109.34 179.534 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 109.646 -0.502 . . . . 1.46 109.646 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -88.01 5.27 41.65 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.878 -1.139 . . . . 2.61 109.257 179.121 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.502 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 13.4 t-80 -78.33 -47.06 2.05 Favored Pre-proline 0 N--CA 1.499 2.016 0 O-C-N 121.41 -0.806 . . . . 3.96 111.804 -179.359 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 17' ' ' HIS . 24.9 Cg_endo -59.71 161.53 17.83 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 CA-C-N 120.503 1.215 . . . . 1.14 111.648 -179.828 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -57.34 178.11 0.18 Allowed 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.862 2.375 . . . . 1.52 112.818 -179.079 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.64 21.33 78.84 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.907 -1.277 . . . . 1.41 109.907 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.401 ' CG2' ' O ' ' A' ' 21' ' ' THR . 9.7 t -93.0 90.65 7.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.284 -1.127 . . . . 1.49 109.658 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -80.73 138.23 36.31 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.133 -0.979 . . . . 2.59 108.796 179.149 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -107.22 70.69 0.28 Allowed Pre-proline 0 N--CA 1.503 2.184 0 O-C-N 121.355 -0.841 . . . . 2.78 111.008 -179.336 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.78 142.0 67.97 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 121.389 1.393 . . . . 1.04 111.289 179.158 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -72.6 -3.12 22.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.163 -0.961 . . . . 4.24 110.262 -179.337 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.4 m -70.07 -4.88 23.13 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.142 -0.974 . . . . 1.34 108.742 179.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -101.39 -26.47 13.58 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.202 -0.666 . . . . 1.23 109.202 -178.631 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 p -108.19 -36.62 6.25 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.88 -0.785 . . . . 1.1 108.88 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -59.87 -34.75 73.56 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.526 -0.87 . . . . 3.48 108.839 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.402 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 9.0 m -70.82 -22.94 62.28 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.91 -1.119 . . . . 1.04 108.727 178.807 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -87.36 135.47 33.31 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.384 -0.969 . . . . 1.3 108.384 179.732 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.425 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 3.9 mp0 -113.07 152.62 45.14 Favored Pre-proline 0 N--CA 1.492 1.665 0 N-CA-C 108.319 -0.993 . . . . 2.67 108.319 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -52.67 154.22 12.74 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 121.094 1.196 . . . . 0.74 111.209 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -142.63 136.33 29.03 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.216 -0.927 . . . . 1.08 110.689 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.7 m -116.63 148.75 40.69 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.388 -0.82 . . . . 1.17 109.951 179.153 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.9 t -88.35 131.67 41.61 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.252 -0.905 . . . . 0.42 108.954 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -79.12 -4.86 14.14 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.65 1.566 . . . . 1.16 112.362 -179.615 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.8 mt -99.34 -54.58 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.139 -0.976 . . . . 1.19 109.971 -179.694 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 41' ' ' ALA . 14.6 p -118.68 27.68 8.76 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.471 -0.768 . . . . 0.5 110.691 -179.256 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 42.83 15.96 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.359 -0.838 . . . . 1.1 111.081 179.186 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . -56.45 133.19 52.98 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 106.997 -1.483 . . . . 1.08 106.997 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.1 t -92.33 116.98 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.76 -1.212 . . . . 1.14 110.513 -178.487 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' ALA . 27.3 mm -111.89 129.8 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 N-CA-C 107.089 -1.449 . . . . 1.07 107.089 178.186 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' A' ' 44' ' ' ARG . 9.6 mtt-85 -72.31 -61.27 1.86 Allowed 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.681 -1.262 . . . . 2.82 110.64 -178.286 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.546 ' NE2' HH21 ' A' ' 47' ' ' ARG . 89.2 mt-30 -77.98 135.89 37.88 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.265 -0.897 . . . . 1.62 110.642 -178.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -65.13 -38.87 92.02 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.466 -0.772 . . . . 0.93 110.631 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.546 HH21 ' NE2' ' A' ' 45' ' ' GLN . 24.6 ptt180 -58.58 -39.38 80.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.727 -1.233 . . . . 1.04 109.06 -179.818 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.45 -31.9 72.94 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.213 -0.929 . . . . 0.34 109.853 179.521 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.29 -41.76 85.1 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.655 -1.278 . . . . 1.13 108.701 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -57.49 -40.04 77.75 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.513 -1.367 . . . . 3.75 107.748 179.727 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -68.14 -35.18 77.68 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 109.467 -0.568 . . . . 0.51 109.467 179.216 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -60.32 -37.09 79.53 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.068 -1.02 . . . . 0.37 108.717 178.828 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.27 -46.73 89.13 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -0.869 . . . . 1.12 110.415 -179.56 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 80.2 mm-40 -70.26 -25.26 63.28 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.971 -1.081 . . . . 2.08 112.511 -179.223 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.8 mt -94.01 -38.44 11.15 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.769 -1.207 . . . . 1.17 112.602 -177.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.52 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 19.8 mmm-85 -106.5 13.89 27.84 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 120.583 -1.323 . . . . 2.91 112.215 -177.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.52 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 93.1 m-70 -153.82 -71.68 0.13 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.287 -1.508 . . . . 0.67 111.042 179.526 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -79.81 12.78 2.46 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.855 -1.153 . . . . 1.04 110.238 -179.15 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.496 1.868 0 O-C-N 121.193 -0.942 . . . . 1.2 109.437 179.686 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.128 0 CA-C-O 121.172 0.51 . . . . 1.46 111.038 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -93.83 4.65 53.61 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.418 -0.801 . . . . 2.61 110.106 178.538 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.595 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 8.5 t-80 -81.14 -33.76 0.7 Allowed Pre-proline 0 N--CA 1.503 2.215 0 O-C-N 120.918 -1.113 . . . . 3.96 112.467 -177.862 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.6 Cg_exo -53.04 152.24 18.82 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 121.329 1.352 . . . . 1.14 111.106 -178.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -74.5 179.88 5.48 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.305 2.003 . . . . 1.52 112.427 -178.595 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.87 29.98 58.34 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 110.237 -1.145 . . . . 1.41 110.237 179.572 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' CG2' ' A' ' 21' ' ' THR . 14.3 t -88.17 96.58 10.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.976 -1.308 . . . . 1.49 109.057 -179.864 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -78.19 146.08 35.2 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.164 -0.96 . . . . 2.59 109.256 -179.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -108.46 94.05 12.93 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 121.564 -0.71 . . . . 2.78 110.323 179.581 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -84.48 132.58 5.08 Favored 'Trans proline' 0 N--CA 1.487 1.092 0 C-N-CA 121.887 1.724 . . . . 1.04 110.935 179.297 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -74.64 -12.94 60.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.095 -1.003 . . . . 4.24 109.171 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' OG ' ' A' ' 30' ' ' SER . 70.3 m -70.93 -3.67 20.53 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.336 -0.853 . . . . 1.34 110.424 -179.323 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -111.66 -17.69 12.95 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.236 -0.915 . . . . 1.23 110.758 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.6 p -104.88 -35.83 7.58 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.729 -1.232 . . . . 1.1 109.187 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -73.47 -30.33 63.09 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.334 -0.854 . . . . 3.48 109.509 178.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.467 ' OG ' ' O ' ' A' ' 26' ' ' SER . 26.7 m -56.43 -36.4 68.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.508 -0.745 . . . . 1.04 109.729 -179.456 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' OE1' ' OG ' ' A' ' 46' ' ' SER . 62.8 mm-40 -92.55 139.0 31.03 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.008 -1.058 . . . . 1.3 109.116 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -112.74 150.35 42.61 Favored Pre-proline 0 N--CA 1.495 1.789 0 N-CA-C 108.167 -1.049 . . . . 2.67 108.167 179.691 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -39.01 157.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.229 0 C-N-CA 122.08 1.854 . . . . 0.74 112.153 -179.313 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.59 137.91 21.85 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.044 -1.035 . . . . 1.08 110.958 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.5 m -115.42 146.59 41.46 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.413 -0.804 . . . . 1.17 109.557 179.115 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.7 t -85.75 126.92 64.67 Favored Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.083 -1.011 . . . . 0.42 108.488 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -77.02 -3.14 13.43 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 121.429 1.419 . . . . 1.16 112.743 -179.174 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.5 mt -99.99 -48.06 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.085 -1.009 . . . . 1.19 110.521 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.1 p -123.38 16.82 9.76 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.432 -0.793 . . . . 0.5 110.297 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 54.91 17.48 1.83 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.299 -0.875 . . . . 1.1 111.569 178.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.44 134.57 56.77 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.556 -1.34 . . . . 1.08 107.645 178.542 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.2 t -92.73 112.51 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.997 -1.065 . . . . 1.14 109.834 -179.034 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.2 mm -108.14 128.23 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 107.582 -1.266 . . . . 1.07 107.582 179.102 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 44' ' ' ARG . 18.6 mtt-85 -71.22 -64.16 0.97 Allowed 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 118.661 -1.216 . . . . 2.82 110.201 -179.065 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -77.2 140.68 40.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.13 -0.981 . . . . 1.62 110.997 -179.026 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.406 ' OG ' ' OE1' ' A' ' 31' ' ' GLU . 59.7 p -66.52 -38.43 87.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.466 -0.771 . . . . 0.93 109.911 179.43 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.9 ptp180 -56.01 -41.28 74.67 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.828 -1.17 . . . . 1.04 108.618 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.415 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 94.4 m-20 -64.55 -29.95 70.97 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.327 -0.858 . . . . 0.34 109.853 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.8 tp -59.37 -46.33 88.96 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.985 -1.072 . . . . 1.13 109.641 -179.583 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -58.88 -40.03 83.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.907 -1.121 . . . . 3.75 108.028 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -63.59 -39.84 95.41 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.563 0.697 . . . . 0.51 109.275 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -60.56 -39.28 87.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.535 -0.728 . . . . 0.37 109.972 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.2 -41.5 93.12 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.947 -1.095 . . . . 1.12 109.766 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 98.6 mt-10 -72.9 -26.15 61.32 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.205 -0.934 . . . . 2.08 111.362 -179.349 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.0 mt -88.59 -51.53 5.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.981 -1.074 . . . . 1.17 112.775 -177.636 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.548 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 24.1 mmm180 -103.18 21.2 16.25 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 120.701 -1.249 . . . . 2.91 111.915 -177.283 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.7 m-70 -155.75 -76.29 0.1 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.188 -1.57 . . . . 0.67 111.344 179.75 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.88 14.78 1.25 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.018 -1.051 . . . . 1.04 110.143 -178.433 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.301 -1.508 0 O-C-N 121.131 -0.981 . . . . 1.2 108.44 179.351 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.733 0 N-CA-C 109.866 -0.42 . . . . 1.46 109.866 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -95.6 1.82 53.88 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.28 -0.888 . . . . 2.61 109.279 178.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.616 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 25.2 t-80 -81.59 -32.66 0.63 Allowed Pre-proline 0 N--CA 1.499 1.987 0 O-C-N 121.18 -0.95 . . . . 3.96 112.437 -178.363 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.4 Cg_exo -54.86 158.7 10.53 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 122.165 1.91 . . . . 1.14 111.715 -179.505 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -67.86 172.96 9.89 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.346 2.031 . . . . 1.52 111.956 -179.434 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.62 23.11 76.1 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.734 -1.346 . . . . 1.41 109.734 -179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.512 ' O ' ' CG2' ' A' ' 21' ' ' THR . 13.8 t -89.3 94.98 10.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.137 -1.213 . . . . 1.49 108.765 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -77.66 148.77 34.86 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.142 -0.974 . . . . 2.59 109.119 -179.625 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -107.0 77.21 0.49 Allowed Pre-proline 0 N--CA 1.499 2.001 0 O-C-N 121.432 -0.793 . . . . 2.78 111.019 -179.26 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -71.09 134.19 24.68 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.657 1.571 . . . . 1.04 111.438 178.847 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -72.54 -11.05 60.5 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.274 -0.891 . . . . 4.24 110.177 -179.093 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.4 m -72.0 -3.13 21.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.1 -1.0 . . . . 1.34 109.963 -179.5 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.481 ' NH1' ' CG ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -101.33 -26.37 13.64 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.206 -0.934 . . . . 1.23 109.982 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 p -106.29 -32.26 8.25 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.37 -0.832 . . . . 1.1 109.461 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -64.26 -37.24 86.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.222 -0.924 . . . . 3.48 109.207 179.422 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -59.98 -30.43 69.11 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.535 -0.728 . . . . 1.04 109.332 -179.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -85.51 138.01 32.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.379 -0.826 . . . . 1.3 109.572 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -119.22 151.03 50.37 Favored Pre-proline 0 N--CA 1.504 2.24 0 O-C-N 121.515 -0.741 . . . . 2.67 109.347 -179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -42.35 154.64 0.12 Allowed 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.893 1.729 . . . . 0.74 112.18 179.274 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.92 136.95 23.38 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.059 -1.026 . . . . 1.08 110.519 179.816 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.9 m -115.42 145.22 42.77 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.358 -0.839 . . . . 1.17 109.271 178.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.9 t -80.4 128.74 71.71 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.527 -0.733 . . . . 0.42 109.036 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -77.25 -2.79 13.01 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 121.372 1.382 . . . . 1.16 111.592 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.4 mt -103.9 -56.38 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.493 -0.754 . . . . 1.19 110.945 -179.203 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.4 p -112.81 18.47 18.19 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.281 -0.887 . . . . 0.5 109.887 -179.253 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 50.27 17.13 0.31 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.385 -0.822 . . . . 1.1 111.233 178.379 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.43 143.03 50.98 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.873 -1.142 . . . . 1.08 108.024 178.301 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.0 t -95.45 111.28 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.071 -1.018 . . . . 1.14 110.425 -178.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 34' ' ' ALA . 26.5 mm -105.87 129.74 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 107.295 -1.372 . . . . 1.07 107.295 178.312 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -74.28 -60.06 2.44 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 119.13 -1.028 . . . . 2.82 110.278 -178.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.652 ' NE2' HH21 ' A' ' 47' ' ' ARG . 94.9 mt-30 -82.07 136.11 35.24 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.987 -1.07 . . . . 1.62 110.054 -179.759 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.3 p -66.85 -42.79 85.15 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.376 -0.827 . . . . 0.93 110.144 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.652 HH21 ' NE2' ' A' ' 45' ' ' GLN . 21.7 ptt180 -55.14 -35.37 64.64 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.794 -1.191 . . . . 1.04 108.827 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.484 ' CB ' HH12 ' A' ' 51' ' ' ARG . 84.5 m-20 -70.01 -29.02 65.98 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.998 -1.064 . . . . 0.34 109.108 178.77 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.6 tp -54.95 -44.47 74.35 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 107.991 -1.115 . . . . 1.13 107.991 179.446 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.414 ' HG2' HH11 ' A' ' 50' ' ' ARG . 17.4 ttt-85 -57.74 -40.08 78.83 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.654 -1.239 . . . . 3.75 107.654 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.484 HH12 ' CB ' ' A' ' 48' ' ' ASN . 12.2 ttp-105 -65.31 -39.26 92.26 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.515 -0.874 . . . . 0.51 109.534 178.712 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -60.4 -39.59 87.91 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.346 -0.847 . . . . 0.37 109.604 -179.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.63 -40.7 92.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.119 -0.988 . . . . 1.12 110.353 -179.676 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 66.5 mm-40 -74.31 -24.34 59.21 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.293 -0.879 . . . . 2.08 111.914 -178.719 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.8 mt -94.55 -43.38 8.35 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 120.695 -1.253 . . . . 1.17 112.024 -178.466 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.1 mmm180 -104.04 16.93 25.17 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.924 -1.11 . . . . 2.91 112.462 -177.807 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 96.8 m-70 -153.96 -72.99 0.13 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.003 -1.686 . . . . 0.67 110.941 179.502 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -78.89 8.6 5.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.866 -1.146 . . . . 1.04 109.52 -179.415 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.327 -0.858 . . . . 1.2 108.815 179.511 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.226 0.536 . . . . 1.46 110.856 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -98.2 0.79 46.49 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.478 -0.764 . . . . 2.61 109.069 178.708 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.639 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 26.3 t-80 -83.71 -29.11 0.44 Allowed Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.285 -0.885 . . . . 3.96 112.339 -179.129 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 50.2 Cg_exo -51.96 156.04 7.72 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 121.628 1.552 . . . . 1.14 112.125 -178.239 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.3 170.11 14.04 Favored 'Trans proline' 0 N--CA 1.507 2.275 0 C-N-CA 123.418 2.745 . . . . 1.52 113.285 -179.315 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.86 28.58 60.57 Favored Glycine 0 N--CA 1.495 2.58 0 N-CA-C 110.153 -1.179 . . . . 1.41 110.153 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.451 ' O ' ' CG2' ' A' ' 21' ' ' THR . 7.1 t -94.45 89.71 5.95 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.204 -1.174 . . . . 1.49 109.451 179.595 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -83.31 140.63 32.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.455 -0.778 . . . . 2.59 108.906 179.043 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -109.13 78.69 1.04 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.749 -0.594 . . . . 2.78 109.923 179.76 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -43.1 159.11 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.906 1.737 . . . . 1.04 112.57 179.378 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' C ' ' H ' ' A' ' 27' ' ' ARG . 69.4 ttt180 -68.97 -39.82 79.21 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.351 -0.843 . . . . 4.24 111.449 -179.531 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -69.93 11.94 0.25 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.652 -1.28 . . . . 1.34 111.489 -178.324 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' H ' ' C ' ' A' ' 25' ' ' ARG . 11.1 mmm180 -92.95 -69.49 0.74 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.828 -1.17 . . . . 1.23 112.204 -178.659 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.7 p -87.6 -29.41 21.26 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.94 -1.1 . . . . 1.1 110.678 -177.872 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.11 -35.08 79.58 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.989 -1.069 . . . . 3.48 109.052 179.035 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.6 m -60.06 -31.0 69.58 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.421 -0.799 . . . . 1.04 109.739 -179.543 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 76.5 mm-40 -68.31 140.28 55.94 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 119.657 -0.817 . . . . 1.3 109.303 -179.841 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -113.16 151.88 44.61 Favored Pre-proline 0 N--CA 1.493 1.717 0 N-CA-C 107.845 -1.168 . . . . 2.67 107.845 -179.786 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.38 154.35 30.02 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 121.205 1.27 . . . . 0.74 111.261 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.89 133.68 22.34 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.402 -0.811 . . . . 1.08 109.972 -179.257 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.5 m -114.33 162.07 17.08 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.758 0.789 . . . . 1.17 109.724 -179.786 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.0 t -104.91 105.21 50.31 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.696 -0.627 . . . . 0.42 109.408 -179.53 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.27 -5.2 0.35 Allowed 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.879 1.719 . . . . 1.16 113.353 179.641 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.8 mt -96.22 -61.36 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 120.643 -1.286 . . . . 1.19 109.872 179.813 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.8 p -110.63 17.34 20.78 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.228 -0.92 . . . . 0.5 109.62 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 51.61 24.68 2.43 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.58 -0.7 . . . . 1.1 110.654 179.128 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.12 140.44 57.89 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.638 -1.289 . . . . 1.08 107.566 178.317 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 t -95.19 110.8 24.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 121.357 -0.84 . . . . 1.14 109.644 -179.537 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' ALA . 46.4 mm -108.99 129.59 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 107.898 -1.149 . . . . 1.07 107.898 179.06 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -74.48 -58.8 3.06 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.369 -0.832 . . . . 2.82 110.606 -178.639 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -78.71 136.12 37.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.291 -0.88 . . . . 1.62 110.338 -179.03 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 99.8 p -65.89 -38.09 87.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.959 -1.088 . . . . 0.93 109.25 179.138 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.432 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -56.69 -39.63 74.14 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.462 -0.94 . . . . 1.04 108.462 179.838 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.41 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 99.5 m-20 -66.08 -31.4 72.25 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.26 -0.9 . . . . 0.34 109.966 179.371 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.2 tp -55.49 -44.84 76.91 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.716 -1.193 . . . . 1.13 108.698 -179.223 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' A' ' 50' ' ' ARG . 6.8 mmt-85 -59.73 -41.79 91.7 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 119.355 -0.938 . . . . 3.75 108.542 179.363 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -63.23 -39.84 95.74 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.438 0.637 . . . . 0.51 109.715 -179.514 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -60.56 -40.06 90.22 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.735 -0.603 . . . . 0.37 110.15 -179.267 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.23 -39.95 94.54 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.26 -0.9 . . . . 1.12 110.256 -179.605 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 85.5 mt-10 -71.81 -25.0 61.82 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.663 -1.273 . . . . 2.08 111.736 -179.238 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.4 mt -97.98 -36.7 10.05 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.989 -1.069 . . . . 1.17 113.113 -177.391 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.564 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 25.6 mmm180 -105.44 7.79 33.28 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 120.677 -1.264 . . . . 2.91 111.907 -177.946 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.564 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 85.3 m-70 -153.1 -67.78 0.15 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.148 -1.595 . . . . 0.67 110.953 179.36 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -77.57 8.03 4.84 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.507 -1.371 . . . . 1.04 109.924 -179.146 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.299 -1.594 0 O-C-N 121.761 -0.587 . . . . 1.2 110.512 179.64 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 109.597 -0.52 . . . . 1.46 109.597 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -97.87 9.56 42.39 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.027 -1.046 . . . . 2.61 109.707 179.663 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.614 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 6.7 t-80 -83.79 -28.49 0.42 Allowed Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 121.196 -0.94 . . . . 3.96 111.759 -178.888 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 80.3 Cg_exo -48.95 155.5 2.61 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.549 1.499 . . . . 1.14 111.829 -179.555 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.2 168.22 16.41 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.471 2.114 . . . . 1.52 111.52 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.23 27.18 66.57 Favored Glycine 0 N--CA 1.487 2.093 0 N-CA-C 108.684 -1.767 . . . . 1.41 108.684 -179.555 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.416 ' O ' ' CG2' ' A' ' 21' ' ' THR . 4.1 t -94.24 91.36 6.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -1.09 . . . . 1.49 108.353 179.543 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -78.07 141.32 38.9 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.095 -0.706 . . . . 2.59 109.095 179.819 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -107.67 77.24 0.6 Allowed Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.569 -0.707 . . . . 2.78 110.223 -179.61 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -69.91 141.88 45.77 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 121.2 1.267 . . . . 1.04 111.255 179.42 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.531 ' HG2' HH11 ' A' ' 25' ' ' ARG . 23.2 mtt-85 -74.45 -6.85 50.63 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.17 -0.957 . . . . 4.24 110.048 -179.377 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 m -69.86 -9.26 54.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.048 -1.032 . . . . 1.34 109.988 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -100.42 -24.29 14.53 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.152 -0.968 . . . . 1.23 109.261 -179.634 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.5 p -107.68 -31.46 8.06 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.522 -0.736 . . . . 1.1 109.456 179.641 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -61.12 -39.89 91.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 3.48 109.831 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 m -58.56 -26.16 63.28 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.745 0.783 . . . . 1.04 109.501 -179.472 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.556 ' CD ' HH21 ' A' ' 47' ' ' ARG . 75.7 mm-40 -87.45 137.78 32.04 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.586 -0.696 . . . . 1.3 110.431 -178.878 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.481 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 21.1 mp0 -113.58 150.28 43.0 Favored Pre-proline 0 N--CA 1.501 2.093 0 N-CA-C 107.606 -1.257 . . . . 2.67 107.606 178.331 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -50.36 157.03 3.45 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 121.171 1.247 . . . . 0.74 111.033 -179.173 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -141.93 137.02 30.99 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.331 -0.856 . . . . 1.08 109.171 179.736 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.3 m -117.03 142.78 46.53 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 109.084 -0.71 . . . . 1.17 109.084 -179.777 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.9 t -82.63 129.56 62.0 Favored Pre-proline 0 C--N 1.301 -1.533 0 N-CA-C 108.735 -0.839 . . . . 0.42 108.735 179.499 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -77.46 -4.74 14.98 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 121.949 1.766 . . . . 1.16 112.615 -179.431 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.7 mt -100.32 -54.99 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.356 -0.84 . . . . 1.19 110.041 -178.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' ALA . 15.0 p -116.53 22.74 12.55 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.49 -0.756 . . . . 0.5 110.829 -179.512 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 49.18 13.66 0.07 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.917 -1.114 . . . . 1.1 111.097 178.695 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . -54.39 133.36 45.42 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 106.944 -1.502 . . . . 1.08 106.944 178.601 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 t -92.44 110.09 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.203 -0.936 . . . . 1.14 110.114 -177.804 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 34' ' ' ALA . 31.8 mm -105.19 127.9 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 107.764 -1.199 . . . . 1.07 107.764 179.165 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.464 HH11 ' HG2' ' A' ' 44' ' ' ARG . 13.8 mtt-85 -74.52 -60.02 2.47 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.863 -1.148 . . . . 2.82 110.241 -178.866 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -79.65 137.54 37.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.224 -0.922 . . . . 1.62 109.967 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.1 p -66.3 -33.87 76.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.93 109.732 -179.681 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.556 HH21 ' CD ' ' A' ' 31' ' ' GLU . 10.0 ptp180 -57.52 -41.76 81.47 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.123 -0.986 . . . . 1.04 109.62 -179.781 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.483 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.2 m-20 -68.65 -25.55 64.88 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 109.009 -0.738 . . . . 0.34 109.009 -179.271 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.65 -49.79 76.36 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.974 -1.079 . . . . 1.13 108.624 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -57.9 -42.12 84.05 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.157 -1.423 . . . . 3.75 107.157 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -61.68 -36.11 79.93 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.328 0.585 . . . . 0.51 109.839 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -65.74 -39.49 91.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.178 -0.951 . . . . 0.37 109.696 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.01 -45.05 94.04 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.101 -1.0 . . . . 1.12 110.231 -179.164 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 89.3 mt-10 -70.91 -24.33 62.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.276 -0.89 . . . . 2.08 113.127 -178.712 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.3 mt -99.85 -34.09 10.28 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.652 -1.28 . . . . 1.17 111.205 -178.19 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.479 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 17.3 mmm180 -104.18 6.61 35.77 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.082 -1.011 . . . . 2.91 112.644 -177.798 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 93.7 m-70 -153.1 -70.37 0.15 Allowed 'General case' 0 N--CA 1.506 2.352 0 O-C-N 119.99 -1.694 . . . . 0.67 111.13 -179.644 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -76.83 7.44 4.74 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.848 -1.158 . . . . 1.04 109.198 -179.236 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.714 0 O-C-N 120.987 -1.071 . . . . 1.2 109.659 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.91 0 CA-C-O 121.037 0.446 . . . . 1.46 109.863 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -96.51 8.15 44.8 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.299 -0.875 . . . . 2.61 109.697 179.246 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.632 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 35.7 t-80 -83.96 -31.49 0.49 Allowed Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.19 -0.944 . . . . 3.96 112.233 -178.832 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 78.3 Cg_exo -47.06 155.91 0.85 Allowed 'Trans proline' 0 N--CA 1.503 2.083 0 C-N-CA 122.909 2.406 . . . . 1.14 113.234 -179.078 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -68.09 162.93 37.93 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 123.093 2.528 . . . . 1.52 112.743 -178.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.96 12.72 83.84 Favored Glycine 0 N--CA 1.484 1.865 0 N-CA-C 109.16 -1.576 . . . . 1.41 109.16 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.437 ' O ' ' CG2' ' A' ' 21' ' ' THR . 10.0 t -89.89 90.26 8.1 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.463 -1.022 . . . . 1.49 108.507 179.738 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -82.57 142.51 31.73 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.065 -1.022 . . . . 2.59 109.132 -179.522 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -89.12 111.12 43.15 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.347 -0.846 . . . . 2.78 109.766 -179.862 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -82.58 134.53 7.6 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.933 1.755 . . . . 1.04 111.077 179.201 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -69.07 -18.15 63.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.134 -0.979 . . . . 4.24 111.136 -178.729 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -71.3 -5.36 31.7 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.903 -1.123 . . . . 1.34 110.668 -178.441 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' A' ' 27' ' ' ARG . 13.3 mmt-85 -102.56 -26.24 13.3 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.046 -1.034 . . . . 1.23 110.622 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.3 p -101.94 -39.48 7.33 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 120.96 -1.088 . . . . 1.1 110.669 -178.826 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -63.6 -31.15 72.23 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.829 -1.169 . . . . 3.48 109.315 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.6 m -55.89 -35.64 66.76 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.455 -0.778 . . . . 1.04 109.23 179.895 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -89.89 143.36 26.86 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.286 -0.884 . . . . 1.3 110.387 -179.38 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -117.16 154.66 50.05 Favored Pre-proline 0 N--CA 1.498 1.968 0 N-CA-C 108.112 -1.07 . . . . 2.67 108.112 179.164 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -44.22 153.0 0.35 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.922 1.748 . . . . 0.74 112.281 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.44 133.84 23.22 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.197 -0.939 . . . . 1.08 110.685 -179.253 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.7 m -114.22 162.42 16.57 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.576 -0.702 . . . . 1.17 109.501 179.174 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.7 t -105.89 105.81 54.56 Favored Pre-proline 0 N--CA 1.5 2.064 0 O-C-N 121.23 -0.919 . . . . 0.42 109.968 -179.674 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.56 -7.5 0.87 Allowed 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.223 1.949 . . . . 1.16 113.158 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.0 mt -95.71 -63.53 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.93 -1.106 . . . . 1.19 110.116 -178.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.7 p -108.0 14.37 25.29 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.157 -0.965 . . . . 0.5 109.636 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 55.38 19.93 3.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.495 -0.753 . . . . 1.1 110.801 179.48 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.82 138.3 57.83 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.683 -1.261 . . . . 1.08 107.731 178.677 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.4 t -94.27 113.88 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.144 -0.972 . . . . 1.14 109.361 -179.467 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' ALA . 24.4 mm -110.33 126.15 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 107.749 -1.204 . . . . 1.07 107.749 179.066 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.532 HH11 ' HG2' ' A' ' 44' ' ' ARG . 6.4 mtt-85 -74.22 -60.44 2.26 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.843 -1.161 . . . . 2.82 109.826 -179.348 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -76.97 132.3 38.94 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.856 -1.152 . . . . 1.62 109.495 179.579 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.6 p -64.58 -40.42 95.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 0.93 110.377 -179.423 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.0 ptp180 -54.32 -42.18 69.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.74 -1.225 . . . . 1.04 108.753 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.473 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 99.1 m-20 -60.16 -31.98 70.62 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.811 -0.756 . . . . 0.34 109.443 179.296 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.1 tp -57.32 -44.45 84.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.007 -1.058 . . . . 1.13 108.841 -179.645 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -59.69 -39.8 85.77 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.93 -1.137 . . . . 3.75 107.93 179.304 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -64.12 -37.55 87.86 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 109.031 -0.729 . . . . 0.51 109.031 178.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -64.19 -44.59 91.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.679 -0.638 . . . . 0.37 110.318 -179.48 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 58' ' ' PHE . 91.6 mt -55.42 -43.3 75.19 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.876 -1.14 . . . . 1.12 110.096 -179.773 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.31 -28.77 64.34 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.404 -0.81 . . . . 2.08 111.787 -179.257 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -87.7 -40.44 14.13 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.612 -1.305 . . . . 1.17 112.412 -177.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.54 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 19.9 mmm180 -106.09 1.0 25.96 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.843 -1.161 . . . . 2.91 113.392 -176.691 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 72.3 m-70 -148.23 -65.18 0.25 Allowed 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.146 -1.597 . . . . 0.67 111.41 -178.55 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 53' ' ' LEU . 35.1 m-85 -79.96 17.5 0.96 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.381 -0.825 . . . . 1.04 110.556 -178.547 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.66 0 O-C-N 121.118 -0.988 . . . . 1.2 108.756 179.783 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.183 0 CA-C-O 121.186 0.517 . . . . 1.46 110.698 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -89.1 17.93 5.44 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.209 -0.932 . . . . 2.61 109.086 178.475 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.61 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.3 t-80 -79.23 -29.86 0.62 Allowed Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.306 -0.871 . . . . 3.96 112.913 -177.755 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.0 Cg_exo -54.4 147.01 48.82 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.563 1.509 . . . . 1.14 112.457 -179.048 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.83 166.62 26.66 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.345 2.03 . . . . 1.52 112.543 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.62 34.52 53.61 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.362 -1.095 . . . . 1.41 110.362 179.422 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.466 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.7 t -89.42 93.96 9.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.132 -1.216 . . . . 1.49 109.13 -179.916 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -81.3 154.32 26.61 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.248 -0.907 . . . . 2.59 108.659 179.713 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -106.6 98.18 19.54 Favored Pre-proline 0 N--CA 1.503 2.221 0 O-C-N 121.498 -0.751 . . . . 2.78 110.362 -179.461 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -70.67 138.66 35.42 Favored 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 120.938 1.092 . . . . 1.04 110.996 178.33 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -67.9 -21.27 65.15 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.421 -0.8 . . . . 4.24 109.858 179.89 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.8 m -70.65 -1.64 11.9 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.138 -0.976 . . . . 1.34 111.595 -178.933 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -104.42 -25.77 12.69 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.762 -1.212 . . . . 1.23 109.429 -179.68 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 p -104.96 -30.86 9.53 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.446 -0.784 . . . . 1.1 109.519 -179.868 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -59.85 -40.64 89.23 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.324 -0.86 . . . . 3.48 109.866 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.9 m -59.59 -23.25 62.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.287 -0.883 . . . . 1.04 109.501 179.867 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -92.14 137.13 32.62 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.33 -0.856 . . . . 1.3 109.796 -179.625 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -125.93 151.47 71.39 Favored Pre-proline 0 N--CA 1.502 2.134 0 N-CA-C 108.486 -0.931 . . . . 2.67 108.486 179.402 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -41.72 149.61 0.24 Allowed 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.317 1.345 . . . . 0.74 112.515 -179.071 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.571 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -143.66 133.5 23.94 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.422 -0.799 . . . . 1.08 110.522 -179.872 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 78.5 m -111.96 161.93 15.89 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.516 -0.74 . . . . 1.17 109.774 179.559 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 40' ' ' TYR . 4.1 t -104.59 104.69 46.73 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 121.753 -0.592 . . . . 0.42 109.798 179.601 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.08 -5.37 0.52 Allowed 'Trans proline' 0 N--CA 1.5 1.863 0 C-N-CA 121.873 1.715 . . . . 1.16 113.021 179.469 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.0 mt -96.17 -61.63 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 120.798 -1.189 . . . . 1.19 109.808 -179.459 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.0 p -109.94 16.55 21.87 Favored 'General case' 0 N--CA 1.507 2.379 0 O-C-N 121.296 -0.878 . . . . 0.5 109.221 179.292 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 36' ' ' CYS . 85.2 m-85 53.26 17.24 0.97 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.58 -0.7 . . . . 1.1 111.029 179.099 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.3 140.19 53.84 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.885 -1.134 . . . . 1.08 108.21 179.342 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.2 t -93.48 111.83 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.184 -0.947 . . . . 1.14 110.19 -178.311 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.571 ' N ' ' O ' ' A' ' 34' ' ' ALA . 23.4 mm -109.1 132.3 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 107.567 -1.272 . . . . 1.07 107.567 178.895 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -74.36 -65.31 0.87 Allowed 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 118.84 -1.144 . . . . 2.82 109.977 -178.899 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.655 ' NE2' HH21 ' A' ' 47' ' ' ARG . 81.8 mt-30 -78.93 139.58 38.24 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.231 -0.918 . . . . 1.62 111.042 -178.75 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.4 p -66.73 -39.96 88.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.524 -0.735 . . . . 0.93 109.867 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.655 HH21 ' NE2' ' A' ' 45' ' ' GLN . 27.3 ptt180 -54.66 -39.29 67.89 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.031 -1.043 . . . . 1.04 109.167 -179.785 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -70.01 -27.35 64.61 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.072 -1.017 . . . . 0.34 109.465 179.323 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.45 -47.09 85.13 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.135 -0.978 . . . . 1.13 109.2 -179.709 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.9 ttm-85 -59.89 -40.2 87.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.513 -1.367 . . . . 3.75 107.894 179.184 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -63.01 -37.15 86.02 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.551 -0.718 . . . . 0.51 109.625 179.645 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -61.64 -38.28 87.13 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.495 -0.753 . . . . 0.37 109.515 179.614 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.78 -44.14 94.03 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.303 -0.873 . . . . 1.12 110.334 -179.589 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -75.18 -20.46 59.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.275 -0.891 . . . . 2.08 112.172 -178.614 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -97.41 -39.42 9.19 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.795 -1.191 . . . . 1.17 111.48 -179.165 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -105.66 12.52 31.0 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.085 -1.009 . . . . 2.91 112.415 -177.361 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -151.03 -71.94 0.17 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.247 -1.533 . . . . 0.67 111.429 179.821 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -79.94 10.76 3.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.194 -0.941 . . . . 1.04 109.585 -178.317 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.497 -0.752 . . . . 1.2 109.238 179.508 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.989 0 CA-C-O 120.946 0.403 . . . . 1.46 110.589 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -95.36 1.66 54.37 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.548 -0.72 . . . . 2.61 109.58 178.008 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.632 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 89.4 m-70 -81.99 -28.15 0.45 Allowed Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.336 -0.852 . . . . 3.96 112.542 -178.303 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 75.9 Cg_exo -51.78 151.82 14.47 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 121.887 1.725 . . . . 1.14 113.024 -178.912 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -70.6 166.25 29.25 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.949 2.433 . . . . 1.52 112.464 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.62 35.2 59.3 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 110.032 -1.227 . . . . 1.41 110.032 -179.795 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.442 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.8 t -92.08 89.71 7.06 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.107 -1.231 . . . . 1.49 108.491 179.803 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -81.39 140.1 34.9 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.091 -1.005 . . . . 2.59 109.617 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -105.06 72.24 0.22 Allowed Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 121.377 -0.827 . . . . 2.78 110.544 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.06 145.02 59.85 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.048 1.832 . . . . 1.04 111.925 179.587 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.473 ' HG2' HH11 ' A' ' 25' ' ' ARG . 11.5 mmt-85 -72.99 -3.51 26.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.974 -1.079 . . . . 4.24 109.668 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -71.04 -13.41 61.98 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.684 -1.26 . . . . 1.34 109.822 -179.501 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.435 HH11 ' HG2' ' A' ' 27' ' ' ARG . 7.4 mmt-85 -98.52 -20.94 16.78 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.269 -0.894 . . . . 1.23 110.324 179.563 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.0 p -109.42 -38.15 5.54 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.242 -0.911 . . . . 1.1 109.601 -179.649 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.456 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 64.8 tp60 -59.04 -38.05 78.44 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.872 -1.143 . . . . 3.48 109.337 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 m -59.11 -28.26 66.36 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.114 -0.991 . . . . 1.04 109.051 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -88.57 136.03 33.2 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.389 -0.819 . . . . 1.3 108.813 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 29' ' ' GLN . 54.2 mm-40 -116.46 150.93 46.32 Favored Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 109.113 -0.699 . . . . 2.67 109.113 -179.369 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -40.09 155.13 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.074 1.849 . . . . 0.74 112.473 -179.703 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.87 135.42 20.77 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.124 -0.985 . . . . 1.08 111.483 -178.793 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.3 m -117.42 145.45 44.11 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-O 121.682 0.753 . . . . 1.17 110.091 179.174 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.0 t -85.83 122.3 72.96 Favored Pre-proline 0 N--CA 1.493 1.676 0 N-CA-C 108.36 -0.978 . . . . 0.42 108.36 178.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -77.83 1.73 8.58 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.586 1.524 . . . . 1.16 111.653 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.4 mt -99.26 -51.76 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.454 -0.779 . . . . 1.19 109.813 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.5 p -121.73 14.85 10.96 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.43 -0.794 . . . . 0.5 109.934 -179.749 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 56.15 15.79 2.0 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.526 -0.734 . . . . 1.1 111.143 179.092 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.14 134.87 56.86 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.321 -1.363 . . . . 1.08 107.321 177.872 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.7 t -95.58 114.45 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 120.693 -1.254 . . . . 1.14 110.526 -179.325 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.7 mm -110.53 134.65 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 106.606 -1.627 . . . . 1.07 106.606 177.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -74.9 -59.68 2.63 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 120.482 -1.386 . . . . 2.82 111.57 -177.567 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.564 ' OE1' ' NH1' ' A' ' 47' ' ' ARG . 82.6 mt-30 -79.91 137.75 36.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.387 -0.821 . . . . 1.62 110.723 -178.385 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.477 ' HG ' ' N ' ' A' ' 47' ' ' ARG . 59.5 p -65.95 -39.45 90.45 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.293 -0.879 . . . . 0.93 110.535 -179.378 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.682 HH11 ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -61.91 -36.54 81.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.208 -1.557 . . . . 1.04 108.809 179.21 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.45 ' ND2' HH12 ' A' ' 47' ' ' ARG . 98.6 m-20 -66.23 -31.66 72.62 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.034 -1.041 . . . . 0.34 108.679 178.612 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.02 -40.3 88.83 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.153 -0.967 . . . . 1.13 109.76 -179.628 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.464 ' NH1' ' CG ' ' A' ' 50' ' ' ARG . 8.3 mtt-85 -59.14 -40.7 86.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.989 -1.069 . . . . 3.75 108.167 -179.649 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -60.55 -40.26 90.92 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.445 0.641 . . . . 0.51 109.842 179.528 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -61.83 -34.91 76.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.472 -0.768 . . . . 0.37 109.517 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.35 -45.04 94.87 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.959 -1.088 . . . . 1.12 109.489 179.766 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 46.6 mt-10 -77.17 -16.14 59.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.855 -1.153 . . . . 2.08 112.839 -178.168 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.8 mt -99.28 -40.88 7.71 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.333 -1.48 . . . . 1.17 111.679 -178.641 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.454 ' HG3' HH11 ' A' ' 56' ' ' ARG . 20.5 mmm-85 -105.06 15.44 27.6 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.986 -1.071 . . . . 2.91 112.231 -178.327 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.407 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.9 m-70 -150.68 -73.68 0.16 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.398 -1.439 . . . . 0.67 111.212 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -80.23 8.84 6.55 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.756 -1.215 . . . . 1.04 110.094 -178.768 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.218 -0.926 . . . . 1.2 110.372 -179.326 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 120.977 0.418 . . . . 1.46 110.344 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -91.59 12.84 19.67 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.41 -0.806 . . . . 2.61 109.204 178.662 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 64.4 t-80 -77.04 -31.83 0.92 Allowed Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.156 -0.965 . . . . 3.96 111.765 -178.869 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 32.5 Cg_exo -57.19 151.29 52.3 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 121.698 1.598 . . . . 1.14 112.113 -178.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.07 177.99 7.09 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.514 2.143 . . . . 1.52 112.654 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.33 22.75 67.05 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.56 -1.016 . . . . 1.41 110.56 179.269 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -92.53 83.62 4.96 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.82 -1.4 . . . . 1.49 109.675 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.3 mp0 -83.02 167.7 17.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.458 -0.776 . . . . 2.59 109.023 179.375 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -105.26 73.17 0.24 Allowed Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 121.145 -0.972 . . . . 2.78 110.259 179.561 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -72.51 134.13 21.89 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.744 1.63 . . . . 1.04 111.522 179.298 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.5 mtt-85 -72.8 -9.52 58.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.197 -0.94 . . . . 4.24 109.518 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.1 m -68.94 -4.72 17.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.945 -1.097 . . . . 1.34 109.907 -179.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -106.96 -29.93 9.15 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.286 -0.884 . . . . 1.23 108.859 179.674 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.5 p -101.32 -29.98 11.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.37 -0.831 . . . . 1.1 109.375 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.85 -38.78 89.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.929 -1.107 . . . . 3.48 108.669 179.356 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.1 m -59.71 -28.02 66.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.397 -0.815 . . . . 1.04 109.619 179.279 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.533 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 79.7 mm-40 -92.78 134.29 35.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.072 -1.017 . . . . 1.3 109.921 -178.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -114.6 155.91 45.44 Favored Pre-proline 0 N--CA 1.501 2.106 0 N-CA-C 109.382 -0.599 . . . . 2.67 109.382 -179.5 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -49.01 150.84 6.37 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 C-N-CA 121.708 1.605 . . . . 0.74 111.777 179.475 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -142.46 135.1 28.11 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.228 -0.92 . . . . 1.08 110.133 -179.508 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.7 m -114.87 138.21 51.06 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.489 -0.757 . . . . 1.17 109.922 179.728 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.78 133.02 73.66 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.406 -0.809 . . . . 0.42 109.051 179.132 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -78.72 -7.85 15.71 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 121.525 1.483 . . . . 1.16 112.735 179.721 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.6 mt -99.06 -54.7 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.087 -1.008 . . . . 1.19 111.107 -178.928 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.2 p -115.95 21.65 13.62 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.285 -0.885 . . . . 0.5 110.44 -179.386 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 48.61 18.89 0.2 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.272 -0.892 . . . . 1.1 112.136 178.522 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.18 132.77 54.56 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 107.544 -1.28 . . . . 1.08 107.544 178.336 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.18 112.2 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.995 -1.066 . . . . 1.14 109.573 -179.154 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 34' ' ' ALA . 9.4 mm -109.96 129.58 64.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 107.971 -1.122 . . . . 1.07 107.971 179.209 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.424 HH11 ' HG2' ' A' ' 44' ' ' ARG . 37.9 mtt-85 -72.66 -57.66 3.95 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.305 -0.872 . . . . 2.82 111.248 -178.642 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -79.84 131.42 35.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.057 -1.027 . . . . 1.62 111.065 -179.077 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.6 p -64.76 -34.49 78.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.453 -0.78 . . . . 0.93 109.309 179.187 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.533 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -60.84 -30.68 70.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.771 -1.206 . . . . 1.04 107.948 178.762 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -77.47 -25.18 50.27 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.673 -0.862 . . . . 0.34 108.673 179.299 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.07 -51.99 67.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.249 -0.907 . . . . 1.13 109.199 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -61.35 -37.67 84.17 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.572 -1.33 . . . . 3.75 108.469 179.518 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -61.46 -39.56 91.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.232 -0.918 . . . . 0.51 109.014 178.94 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -60.44 -38.37 83.92 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.571 -0.705 . . . . 0.37 109.656 179.582 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.2 mt -58.48 -41.0 84.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.142 -0.974 . . . . 1.12 110.107 -179.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 72.0 mm-40 -74.3 -17.09 60.9 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.057 -1.027 . . . . 2.08 111.641 -179.232 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.7 mt -100.63 -39.51 7.84 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.793 -1.192 . . . . 1.17 112.48 -178.32 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.531 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.1 mmm-85 -109.52 14.65 23.41 Favored 'General case' 0 N--CA 1.51 2.53 0 O-C-N 120.878 -1.139 . . . . 2.91 112.349 -177.423 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 93.7 m-70 -154.63 -69.74 0.13 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.304 -1.498 . . . . 0.67 110.378 -179.835 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -81.66 11.25 4.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.407 -0.808 . . . . 1.04 110.116 -179.56 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.367 -0.833 . . . . 1.2 110.267 -179.457 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 121.021 0.439 . . . . 1.46 110.532 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -91.99 9.86 31.41 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.29 -0.882 . . . . 2.61 109.255 178.441 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.62 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.7 t60 -81.98 -27.95 0.45 Allowed Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.131 -0.981 . . . . 3.96 113.214 -177.475 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 70.1 Cg_exo -52.17 148.99 22.99 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.665 1.577 . . . . 1.14 111.979 -179.165 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.15 166.76 27.22 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.019 1.812 . . . . 1.52 112.574 -179.512 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.91 30.49 63.41 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 109.352 -1.499 . . . . 1.41 109.352 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.449 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.8 t -85.96 98.95 11.1 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.028 -1.278 . . . . 1.49 108.907 -179.854 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -81.91 148.95 28.48 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.771 -0.825 . . . . 2.59 108.771 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -101.32 85.97 0.68 Allowed Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 121.136 -0.978 . . . . 2.78 109.557 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.96 136.79 58.76 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.339 1.36 . . . . 1.04 111.876 -179.182 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -75.16 -11.24 60.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.7 -0.625 . . . . 4.24 111.897 -178.486 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -69.64 -4.55 19.89 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.23 -1.544 . . . . 1.34 109.251 -179.467 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -97.65 -21.89 16.77 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.472 -0.767 . . . . 1.23 109.994 -179.274 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.5 p -109.15 -33.6 6.83 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.139 -0.976 . . . . 1.1 110.255 -179.435 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -66.91 -30.91 71.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.854 -1.154 . . . . 3.48 108.715 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.4 m -67.14 -28.65 68.31 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.143 -0.973 . . . . 1.04 108.536 178.855 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.526 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 64.5 mm-40 -95.68 139.96 31.17 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.367 -0.833 . . . . 1.3 109.533 179.555 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -119.81 154.09 54.96 Favored Pre-proline 0 N--CA 1.498 1.935 0 N-CA-C 107.863 -1.162 . . . . 2.67 107.863 178.843 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -43.67 154.31 0.22 Allowed 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 121.713 1.609 . . . . 0.74 112.253 -179.715 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -145.03 142.48 29.8 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.247 -0.908 . . . . 1.08 110.299 179.694 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.7 m -117.42 149.32 40.74 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.548 -0.72 . . . . 1.17 109.645 179.361 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.6 t -86.47 129.88 51.47 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 121.225 -0.922 . . . . 0.42 108.644 178.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.23 -3.81 13.74 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.82 1.68 . . . . 1.16 112.477 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.7 mt -101.31 -55.14 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.337 -0.852 . . . . 1.19 110.033 -179.627 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 41' ' ' ALA . 15.1 p -118.06 26.06 9.91 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.392 -0.818 . . . . 0.5 110.579 -179.297 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 45.17 18.55 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.149 -0.969 . . . . 1.1 112.132 178.709 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . -56.49 137.11 53.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.586 -1.321 . . . . 1.08 107.71 178.185 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -92.75 112.43 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.752 -1.218 . . . . 1.14 109.217 -179.2 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 34' ' ' ALA . 27.1 mm -109.23 127.52 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.892 -1.151 . . . . 1.07 107.892 179.268 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 44' ' ' ARG . 24.9 mtt-85 -71.93 -59.77 2.58 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.952 -1.092 . . . . 2.82 110.652 -179.116 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -79.79 137.81 37.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.907 -1.12 . . . . 1.62 110.67 -179.45 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 p -67.57 -32.28 72.93 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.516 -0.74 . . . . 0.93 109.999 179.589 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.526 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -63.34 -31.81 73.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.773 -1.205 . . . . 1.04 108.94 179.778 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -79.56 -14.16 59.04 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.97 -1.081 . . . . 0.34 108.173 179.174 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.6 tp -68.1 -53.25 26.84 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.121 -0.987 . . . . 1.13 108.668 179.183 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -61.78 -36.88 82.36 Favored 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 118.766 -1.174 . . . . 3.75 108.157 179.802 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -62.63 -40.11 95.95 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.431 -0.951 . . . . 0.51 108.431 178.152 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -59.95 -36.98 78.23 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.531 -0.914 . . . . 0.37 108.531 179.544 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.68 -44.64 96.27 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.034 -1.042 . . . . 1.12 109.449 178.888 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 85.4 mt-10 -73.7 -22.68 59.84 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.096 -1.003 . . . . 2.08 111.922 -179.291 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.2 mt -95.27 -40.58 9.48 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.938 -1.101 . . . . 1.17 112.027 -178.172 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.6 mmm-85 -108.44 17.23 22.32 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 120.714 -1.242 . . . . 2.91 111.815 -178.055 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.8 m-70 -153.42 -75.13 0.12 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.27 -1.519 . . . . 0.67 110.627 179.058 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -77.97 12.64 1.69 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.023 -1.048 . . . . 1.04 109.572 -179.568 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.496 1.837 0 O-C-N 121.296 -0.877 . . . . 1.2 110.029 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.496 0.665 . . . . 1.46 109.949 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -90.78 13.77 15.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.302 -0.874 . . . . 2.61 109.543 179.248 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.402 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -78.08 -49.33 1.96 Allowed Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 120.881 -1.137 . . . . 3.96 110.432 -178.954 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 83.1 Cg_exo -46.44 155.82 0.67 Allowed 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.755 1.637 . . . . 1.14 111.55 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -67.83 177.69 4.01 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 121.893 1.729 . . . . 1.52 112.315 -178.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.06 20.16 76.19 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.812 -1.315 . . . . 1.41 109.812 -179.71 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.59 84.66 5.53 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.185 -1.185 . . . . 1.49 108.741 179.471 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -78.52 148.4 33.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.424 -0.798 . . . . 2.59 109.984 -179.514 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -105.52 75.11 0.3 Allowed Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 121.46 -0.775 . . . . 2.78 110.488 -179.244 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -63.47 138.62 66.34 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.089 1.193 . . . . 1.04 111.123 179.552 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -72.66 -7.52 50.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.282 -0.886 . . . . 4.24 110.237 -179.109 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.8 m -71.24 -6.28 38.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.755 -1.216 . . . . 1.34 109.747 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -103.81 -26.69 12.61 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.108 -0.995 . . . . 1.23 110.611 -178.516 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.0 p -99.2 -34.39 10.37 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.896 -1.127 . . . . 1.1 110.265 -179.312 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -63.77 -30.67 71.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.057 -1.027 . . . . 3.48 109.709 179.47 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -56.86 -32.9 66.28 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.093 -1.004 . . . . 1.04 109.7 179.674 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' A' ' 47' ' ' ARG . 58.0 mm-40 -95.63 145.12 25.5 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.043 -1.035 . . . . 1.3 110.418 -179.571 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -112.82 150.41 42.75 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 107.052 -1.462 . . . . 2.67 107.052 178.735 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -44.19 153.0 0.35 Allowed 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.16 1.24 . . . . 0.74 111.583 -179.159 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.45 133.68 21.67 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.211 -0.931 . . . . 1.08 110.984 -179.15 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.7 m -113.45 161.51 17.24 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.505 0.669 . . . . 1.17 109.926 179.557 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 40' ' ' TYR . 5.1 t -105.12 104.55 47.68 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.56 -0.712 . . . . 0.42 110.365 -179.857 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.77 -3.67 0.47 Allowed 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.09 1.86 . . . . 1.16 113.534 179.099 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.8 mt -97.02 -53.01 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.184 0 O-C-N 120.727 -1.233 . . . . 1.19 110.238 -179.038 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.5 p -120.67 14.35 11.76 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.391 -0.818 . . . . 0.5 108.844 179.58 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' CYS . 95.5 m-85 54.43 20.72 2.89 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.649 -0.657 . . . . 1.1 111.017 179.198 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.9 135.91 57.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.55 -1.344 . . . . 1.08 107.551 178.564 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.2 t -93.99 111.74 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.96 -1.087 . . . . 1.14 109.824 -178.71 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.5 mm -112.15 120.26 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 N-CA-C 108.053 -1.092 . . . . 1.07 108.053 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -67.83 -51.46 48.29 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.901 -1.124 . . . . 2.82 111.326 -178.463 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -82.03 132.52 35.26 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.012 -1.055 . . . . 1.62 110.778 -179.463 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.3 p -62.28 -39.51 93.19 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.511 -0.743 . . . . 0.93 109.31 179.053 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.539 ' NH2' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.8 -39.69 85.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.177 -0.952 . . . . 1.04 109.311 179.994 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.44 -31.81 73.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.777 -1.202 . . . . 0.34 109.313 179.041 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.97 -40.84 90.45 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.825 -1.172 . . . . 1.13 109.195 -179.8 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.92 -44.39 94.35 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.997 -1.112 . . . . 3.75 107.997 179.43 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -63.93 -36.79 85.12 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.563 -0.711 . . . . 0.51 109.864 179.111 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -61.34 -42.11 98.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.335 -0.853 . . . . 0.37 109.601 -179.797 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.24 -43.54 96.01 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.363 -0.836 . . . . 1.12 111.254 -179.642 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 77.6 mm-40 -71.45 -25.76 62.44 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.074 -1.016 . . . . 2.08 112.397 -178.189 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.5 mt -98.17 -31.42 12.11 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.82 -1.175 . . . . 1.17 111.949 -177.781 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.558 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 3.3 mmp_? -105.3 0.31 26.97 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.014 -1.054 . . . . 2.91 112.566 -177.602 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.558 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 77.6 m-70 -149.66 -68.31 0.21 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.271 -1.518 . . . . 0.67 111.146 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -76.28 10.13 2.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.027 -1.046 . . . . 1.04 109.455 -178.962 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 107.707 -1.22 . . . . 1.2 107.707 178.852 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 121.433 0.635 . . . . 1.46 109.833 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -96.86 7.49 46.5 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.544 -0.91 . . . . 2.61 108.544 178.852 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.515 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 4.6 m-70 -81.4 -42.0 1.1 Allowed Pre-proline 0 N--CA 1.499 1.977 0 O-C-N 121.425 -0.797 . . . . 3.96 111.245 -178.265 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 88.7 Cg_exo -52.31 151.34 17.84 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 121.969 1.779 . . . . 1.14 113.432 -179.306 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -81.49 -178.97 4.58 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 123.043 2.496 . . . . 1.52 111.781 179.203 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.01 15.59 80.93 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 110.042 -1.223 . . . . 1.41 110.042 178.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.4 ' O ' ' CG2' ' A' ' 21' ' ' THR . 5.1 t -92.53 88.97 6.54 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.978 -1.307 . . . . 1.49 109.933 179.911 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -78.73 144.66 35.03 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.935 -1.103 . . . . 2.59 108.394 178.27 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -97.52 108.68 46.59 Favored Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 121.183 -0.948 . . . . 2.78 110.075 -179.616 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -85.79 148.11 9.59 Favored 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 122.309 2.006 . . . . 1.04 112.396 179.534 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -68.54 -18.58 64.39 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.507 -0.746 . . . . 4.24 109.736 179.67 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -68.63 -6.8 27.91 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.219 -0.926 . . . . 1.34 111.065 -179.424 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 mmt-85 -105.89 -22.69 12.86 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.994 -1.066 . . . . 1.23 110.083 -179.339 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 p -108.77 -35.32 6.43 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.467 -0.771 . . . . 1.1 109.056 179.145 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -64.22 -37.02 85.96 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.563 0.697 . . . . 3.48 109.891 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.1 m -57.31 -28.95 63.52 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.215 -0.928 . . . . 1.04 110.168 -179.296 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -93.51 144.46 25.34 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.653 -1.279 . . . . 1.3 109.66 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -117.81 152.52 50.09 Favored Pre-proline 0 N--CA 1.502 2.146 0 N-CA-C 108.021 -1.103 . . . . 2.67 108.021 179.296 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -42.21 153.55 0.13 Allowed 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.198 1.932 . . . . 0.74 112.906 -179.279 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.68 132.51 21.26 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.235 -0.916 . . . . 1.08 110.442 179.737 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.9 m -113.77 152.02 31.18 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.35 -0.843 . . . . 1.17 109.938 179.747 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.5 t -91.12 129.37 43.98 Favored Pre-proline 0 N--CA 1.489 1.495 0 N-CA-C 109.508 -0.553 . . . . 0.42 109.508 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -80.03 0.17 10.22 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 121.878 1.719 . . . . 1.16 112.722 -179.771 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.5 mt -102.81 -48.78 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.233 -0.917 . . . . 1.19 110.026 -179.576 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.2 p -122.55 14.23 10.21 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.341 -0.849 . . . . 0.5 110.388 -179.626 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 56.83 18.11 3.63 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.979 -1.076 . . . . 1.1 111.061 179.392 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.93 137.09 57.06 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.5 -1.296 . . . . 1.08 107.5 178.655 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -98.15 110.11 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.366 -0.834 . . . . 1.14 109.664 -178.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.5 mm -109.27 129.88 63.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 N-CA-C 106.97 -1.493 . . . . 1.07 106.97 179.049 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -74.12 -59.69 2.61 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 119.142 -1.023 . . . . 2.82 110.287 -178.485 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -77.59 131.99 38.08 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.027 -1.045 . . . . 1.62 110.187 -179.084 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.458 ' HG ' ' N ' ' A' ' 47' ' ' ARG . 93.4 p -62.63 -40.0 95.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.595 -0.691 . . . . 0.93 110.369 179.878 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.0 ptp180 -54.75 -42.38 71.59 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.001 -1.062 . . . . 1.04 108.622 -179.011 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.493 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.3 m-20 -66.27 -28.76 68.95 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.727 -0.608 . . . . 0.34 109.955 -179.835 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.22 -44.76 94.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.912 -1.118 . . . . 1.13 109.018 -179.032 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -60.32 -39.87 88.59 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.193 -0.942 . . . . 3.75 108.513 179.398 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -63.92 -36.63 84.58 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.741 -0.837 . . . . 0.51 108.741 179.356 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -63.86 -30.54 71.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.773 -0.579 . . . . 0.37 109.82 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 58' ' ' PHE . 88.7 mt -68.39 -40.22 81.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.201 -0.937 . . . . 1.12 109.53 -179.843 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 88.1 mt-10 -76.83 -17.34 59.06 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.277 -0.89 . . . . 2.08 111.442 -178.737 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.1 mt -96.44 -40.53 9.04 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.19 -1.569 . . . . 1.17 111.558 -179.389 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.578 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.0 mmm180 -108.02 9.66 28.44 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.15 -0.969 . . . . 2.91 112.818 -177.119 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 82.5 m-70 -153.73 -69.77 0.14 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.142 -1.599 . . . . 0.67 110.587 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 53' ' ' LEU . 49.5 m-85 -78.6 14.25 1.36 Allowed 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.076 -1.015 . . . . 1.04 109.103 -179.26 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.295 -1.771 0 N-CA-C 108.824 -0.806 . . . . 1.2 108.824 179.19 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.318 0.58 . . . . 1.46 110.638 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -91.78 10.29 29.07 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.435 -0.95 . . . . 2.61 108.435 178.716 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.636 ' HD1' ' N ' ' A' ' 17' ' ' HIS . 0.8 OUTLIER -78.85 -30.67 0.68 Allowed Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.25 -0.906 . . . . 3.96 113.017 -177.622 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 82.1 Cg_exo -48.44 141.66 18.93 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 121.781 1.654 . . . . 1.14 113.031 -178.316 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -76.39 168.51 23.71 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 122.741 2.294 . . . . 1.52 112.85 -179.668 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.95 35.09 51.17 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.728 -1.349 . . . . 1.41 109.728 179.607 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.27 91.09 7.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -1.162 . . . . 1.49 109.784 -179.542 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -76.87 149.9 36.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.963 -1.086 . . . . 2.59 109.363 179.839 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -107.15 87.2 2.93 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.672 -0.643 . . . . 2.78 111.017 -178.765 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.92 137.69 15.96 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 121.31 1.34 . . . . 1.04 110.404 178.304 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.429 ' HG2' HH11 ' A' ' 25' ' ' ARG . 16.9 mmt-85 -71.55 -7.82 50.05 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.133 -0.979 . . . . 4.24 109.899 -178.696 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.9 m -72.03 -5.45 35.18 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.121 -0.987 . . . . 1.34 109.937 -179.885 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.478 HH11 ' HG2' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -99.63 -24.75 14.63 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.129 -0.982 . . . . 1.23 110.216 -179.937 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.0 p -105.76 -38.21 6.46 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.023 -1.048 . . . . 1.1 110.471 -179.076 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -68.76 -26.82 65.42 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.05 -1.031 . . . . 3.48 109.828 -179.789 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -58.25 -36.11 72.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.36 -0.837 . . . . 1.04 109.665 -179.281 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.6 ' CG ' HH21 ' A' ' 47' ' ' ARG . 80.0 mm-40 -83.79 149.4 26.44 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.278 -0.889 . . . . 1.3 109.093 179.459 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -113.85 153.06 46.11 Favored Pre-proline 0 N--CA 1.502 2.129 0 N-CA-C 108.527 -0.916 . . . . 2.67 108.527 179.657 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -49.79 153.9 5.4 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.646 1.564 . . . . 0.74 111.174 179.908 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.5 136.92 23.86 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.015 -1.053 . . . . 1.08 111.061 -178.741 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.8 m -115.93 139.84 49.83 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.696 0.76 . . . . 1.17 109.894 178.862 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.5 t -76.31 132.86 72.29 Favored Pre-proline 0 C--N 1.302 -1.487 0 N-CA-C 108.983 -0.747 . . . . 0.42 108.983 179.511 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -79.58 -7.32 14.72 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.322 1.348 . . . . 1.16 112.318 179.772 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.9 mt -99.15 -53.7 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 O-C-N 121.26 -0.9 . . . . 1.19 111.431 -179.11 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.0 p -114.21 15.13 18.23 Favored 'General case' 0 N--CA 1.51 2.538 0 O-C-N 121.092 -1.005 . . . . 0.5 110.02 -179.295 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 53.29 19.68 1.64 Allowed 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.348 -0.845 . . . . 1.1 110.13 179.639 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.42 137.75 57.89 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.578 -1.638 . . . . 1.08 106.578 177.713 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.2 t -93.9 115.0 31.66 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 121.038 -1.039 . . . . 1.14 110.124 -178.903 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 34' ' ' ALA . 35.4 mm -109.2 127.97 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 N-CA-C 107.749 -1.204 . . . . 1.07 107.749 178.899 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -74.34 -59.74 2.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.826 -1.171 . . . . 2.82 109.189 -179.43 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -77.73 132.1 37.98 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.685 -0.806 . . . . 1.62 110.78 -178.63 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.407 ' HG ' ' N ' ' A' ' 47' ' ' ARG . 75.8 p -66.63 -34.87 78.83 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.448 -0.783 . . . . 0.93 109.768 -179.866 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.6 HH21 ' CG ' ' A' ' 31' ' ' GLU . 10.5 ptp180 -54.52 -42.95 71.45 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.664 -1.272 . . . . 1.04 108.324 179.601 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.461 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 95.0 m-20 -65.9 -30.74 71.38 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.497 -0.752 . . . . 0.34 110.043 179.751 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.1 tp -54.11 -49.44 69.14 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.924 -1.11 . . . . 1.13 109.053 -178.976 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.444 ' HG2' HH11 ' A' ' 50' ' ' ARG . 16.6 ttt-85 -59.06 -40.5 85.35 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.125 -1.065 . . . . 3.75 108.125 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -66.17 -37.37 85.48 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.517 -0.739 . . . . 0.51 109.841 178.953 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -60.11 -39.67 87.03 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.533 -0.73 . . . . 0.37 109.107 -179.238 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.79 -41.49 97.8 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.012 -1.055 . . . . 1.12 109.617 178.733 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 96.0 mt-10 -70.93 -28.37 64.44 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.225 -0.922 . . . . 2.08 111.736 -179.537 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.6 mt -95.63 -38.95 10.16 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.469 -1.394 . . . . 1.17 112.292 -178.53 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 18.7 mmm180 -102.93 9.78 38.59 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.028 -1.045 . . . . 2.91 112.536 -176.764 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 93.7 m-70 -154.41 -66.62 0.14 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.078 -1.639 . . . . 0.67 111.064 179.896 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -82.78 11.05 6.42 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.897 -1.127 . . . . 1.04 109.965 -179.182 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.345 -0.847 . . . . 1.2 109.598 179.672 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 121.012 0.434 . . . . 1.46 110.164 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -93.65 -2.05 54.49 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.316 -0.865 . . . . 2.61 109.651 179.039 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.616 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 32.6 t-80 -77.54 -32.29 0.92 Allowed Pre-proline 0 N--CA 1.5 2.058 0 O-C-N 121.485 -0.759 . . . . 3.96 112.583 -178.031 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.5 Cg_exo -53.67 149.25 32.78 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.128 1.885 . . . . 1.14 111.962 -179.211 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -76.68 172.89 15.38 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.693 2.262 . . . . 1.52 112.998 179.11 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.54 28.63 61.11 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.857 -1.297 . . . . 1.41 109.857 179.692 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' ' CG2' ' A' ' 21' ' ' THR . 8.6 t -91.64 86.69 6.07 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.022 -1.281 . . . . 1.49 108.052 179.331 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -76.3 148.24 37.65 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.453 -0.779 . . . . 2.59 110.167 -179.119 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -106.78 76.51 0.44 Allowed Pre-proline 0 N--CA 1.499 1.975 0 O-C-N 121.294 -0.878 . . . . 2.78 109.896 179.703 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.03 150.8 85.13 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 121.816 1.678 . . . . 1.04 112.512 -179.575 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.496 ' HG2' HH11 ' A' ' 25' ' ' ARG . 13.5 mtt-85 -70.35 -13.6 62.22 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.983 -1.073 . . . . 4.24 110.841 -179.061 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 m -70.59 -5.01 26.06 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.606 -1.309 . . . . 1.34 109.895 179.962 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -108.7 -26.24 10.44 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.146 -0.971 . . . . 1.23 110.494 -178.984 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 p -108.05 -28.88 9.29 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.335 -0.853 . . . . 1.1 110.123 -179.354 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -60.45 -37.73 81.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.963 -1.086 . . . . 3.48 109.607 -179.885 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.8 m -58.86 -30.22 67.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.398 -0.814 . . . . 1.04 108.927 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -84.84 132.98 34.34 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.567 0.699 . . . . 1.3 110.231 -178.956 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -115.18 150.61 44.64 Favored Pre-proline 0 N--CA 1.502 2.153 0 N-CA-C 108.861 -0.792 . . . . 2.67 108.861 179.896 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -50.58 152.84 8.57 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.86 1.707 . . . . 0.74 111.279 -179.587 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -147.29 142.57 27.31 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.002 -1.061 . . . . 1.08 112.32 -178.505 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.5 m -117.19 160.38 21.15 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 121.419 0.628 . . . . 1.17 110.196 178.804 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 40' ' ' TYR . 5.6 t -104.7 104.76 47.51 Favored Pre-proline 0 N--CA 1.501 2.099 0 O-C-N 121.398 -0.814 . . . . 0.42 110.071 179.943 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.42 -4.28 0.75 Allowed 'Trans proline' 0 N--CA 1.502 1.981 0 C-N-CA 121.92 1.747 . . . . 1.16 113.349 179.39 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.1 mt -96.8 -53.25 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 120.717 -1.239 . . . . 1.19 109.688 -179.229 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.1 p -120.31 16.38 12.25 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.414 -0.804 . . . . 0.5 109.205 178.999 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 36' ' ' CYS . 94.2 m-85 52.0 19.19 0.95 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.545 -0.722 . . . . 1.1 110.643 179.503 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.6 138.74 57.63 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.97 -1.493 . . . . 1.08 106.97 178.268 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.61 114.46 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.699 -1.251 . . . . 1.14 110.077 -178.722 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ALA . 33.8 mm -109.06 129.95 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 107.254 -1.387 . . . . 1.07 107.254 178.14 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -71.48 -63.44 1.12 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.728 -1.232 . . . . 2.82 110.281 -178.388 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.588 HE22 ' NH2' ' A' ' 47' ' ' ARG . 85.8 mt-30 -79.63 132.09 36.16 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.129 -0.982 . . . . 1.62 110.252 -179.414 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.5 p -62.54 -35.45 79.47 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.656 -0.652 . . . . 0.93 110.432 179.34 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.588 ' NH2' HE22 ' A' ' 45' ' ' GLN . 27.6 ptt180 -58.96 -36.99 75.74 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.743 -1.223 . . . . 1.04 108.312 179.586 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.88 -29.23 67.48 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.277 -0.89 . . . . 0.34 109.35 179.048 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.1 tp -59.65 -43.55 93.88 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.218 -0.926 . . . . 1.13 109.466 -179.246 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.02 -40.19 84.22 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.337 -1.357 . . . . 3.75 107.337 179.07 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -64.36 -37.04 86.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.612 -0.68 . . . . 0.51 109.491 179.147 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -63.85 -37.65 88.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.375 -0.828 . . . . 0.37 109.565 179.601 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.66 -43.85 93.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.151 -0.968 . . . . 1.12 109.922 -179.631 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 99.2 mt-10 -73.69 -15.12 61.24 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.144 -0.973 . . . . 2.08 111.68 -179.425 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -98.5 -47.13 5.5 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 120.92 -1.113 . . . . 1.17 112.091 -177.873 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.408 HH11 ' HG3' ' A' ' 56' ' ' ARG . 20.3 mmm-85 -104.61 17.93 23.19 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.929 -1.107 . . . . 2.91 112.009 -178.229 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.7 m-70 -151.25 -78.56 0.12 Allowed 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.666 -1.271 . . . . 0.67 110.604 178.998 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -80.4 15.28 1.66 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.801 -1.187 . . . . 1.04 110.496 -179.156 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.047 -1.033 . . . . 1.2 109.202 179.665 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.867 0 N-CA-C 109.231 -0.655 . . . . 1.46 109.231 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -90.4 11.56 21.15 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.201 -0.937 . . . . 2.61 108.924 178.382 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.618 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.0 m80 -79.32 -28.83 0.56 Allowed Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.438 -0.789 . . . . 3.96 112.621 -177.973 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.5 Cg_exo -54.38 142.61 68.94 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.603 1.535 . . . . 1.14 111.479 -179.125 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.11 171.54 15.03 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.376 2.051 . . . . 1.52 112.581 -179.306 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.88 31.11 62.55 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.822 -1.311 . . . . 1.41 109.822 179.861 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.425 ' HG1' ' NZ ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -88.82 90.93 8.62 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.008 -1.29 . . . . 1.49 108.958 179.98 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -80.51 139.08 36.56 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.355 -0.84 . . . . 2.59 109.262 -179.904 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.425 ' NZ ' ' HG1' ' A' ' 21' ' ' THR . 13.0 mptt -105.94 97.69 16.13 Favored Pre-proline 0 N--CA 1.5 2.032 0 O-C-N 121.634 -0.666 . . . . 2.78 109.484 179.849 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -84.37 154.93 12.4 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 C-N-CA 121.466 1.444 . . . . 1.04 111.415 178.735 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.61 -18.93 65.63 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.325 -0.859 . . . . 4.24 110.7 -179.21 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.7 m -70.12 -3.71 17.95 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.641 -1.287 . . . . 1.34 110.844 -179.271 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.506 HH11 ' HG2' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -103.05 -29.95 11.05 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.965 -1.084 . . . . 1.23 111.178 -179.612 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 p -110.16 -43.13 4.0 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.154 -0.966 . . . . 1.1 109.495 179.947 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -59.02 -37.87 77.91 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.627 -0.829 . . . . 3.48 109.404 -178.764 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.0 m -58.88 -30.51 67.8 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.286 -0.884 . . . . 1.04 109.521 179.926 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -76.75 134.62 39.11 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.175 -0.953 . . . . 1.3 108.913 179.823 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -117.08 152.13 48.47 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.836 -0.801 . . . . 2.67 108.836 -179.488 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -49.59 155.9 3.34 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.746 1.631 . . . . 0.74 112.462 -179.644 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -145.68 133.89 21.66 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.435 -0.791 . . . . 1.08 109.843 -179.658 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.4 m -113.96 145.05 42.08 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.356 -0.84 . . . . 1.17 110.029 179.349 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -82.11 129.26 64.8 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.295 -0.878 . . . . 0.42 109.028 179.9 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -76.25 -6.01 16.78 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.723 1.616 . . . . 1.16 112.122 -179.893 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.0 mt -100.51 -57.5 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.279 -0.888 . . . . 1.19 110.964 -179.359 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 41' ' ' ALA . 15.2 p -114.07 25.73 10.89 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.445 -0.784 . . . . 0.5 110.201 -179.149 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 43.37 18.03 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.326 -0.859 . . . . 1.1 111.485 178.597 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . -58.96 135.71 57.68 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.358 -1.349 . . . . 1.08 107.358 178.413 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.38 118.56 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.946 -1.097 . . . . 1.14 110.468 -178.7 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' ALA . 36.2 mm -111.16 130.0 65.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 107.638 -1.245 . . . . 1.07 107.638 178.729 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' A' ' 44' ' ' ARG . 9.4 mtt-85 -74.12 -60.94 2.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.552 -1.342 . . . . 2.82 110.735 -178.634 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.57 ' OE1' ' NH1' ' A' ' 47' ' ' ARG . 75.8 mt-30 -81.42 132.44 35.32 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.797 -1.19 . . . . 1.62 109.647 -179.616 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.1 p -63.58 -37.68 88.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.153 -0.967 . . . . 0.93 111.002 -179.154 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.691 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -57.27 -36.2 70.7 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 120.2 -1.563 . . . . 1.04 109.023 -179.818 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.574 ' ND2' HH12 ' A' ' 47' ' ' ARG . 92.4 m-20 -67.53 -29.32 68.69 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.111 -0.993 . . . . 0.34 108.464 178.389 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.0 tp -57.74 -45.82 85.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.92 -1.113 . . . . 1.13 109.787 179.985 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 mtm-85 -60.01 -38.44 82.64 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 117.961 -1.496 . . . . 3.75 107.31 179.834 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -62.31 -38.65 90.26 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.731 -0.606 . . . . 0.51 109.395 178.968 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -61.82 -40.15 94.28 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.508 -0.745 . . . . 0.37 110.47 -179.535 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.53 -46.79 87.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.955 -1.091 . . . . 1.12 109.998 -179.218 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 77.9 mm-40 -71.64 -21.86 61.76 Favored 'General case' 0 C--N 1.293 -1.883 0 O-C-N 121.287 -0.883 . . . . 2.08 111.806 -178.791 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.75 -36.99 10.97 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.606 -1.309 . . . . 1.17 111.814 -178.69 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.534 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 21.4 mmm-85 -109.98 16.99 21.55 Favored 'General case' 0 N--CA 1.508 2.425 0 O-C-N 120.759 -1.213 . . . . 2.91 112.636 -177.92 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.1 m-70 -154.83 -72.01 0.12 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.259 -1.525 . . . . 0.67 110.732 179.472 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -81.31 11.71 4.16 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.997 -1.065 . . . . 1.04 109.68 -179.62 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.295 -1.796 0 N-CA-C 108.996 -0.742 . . . . 1.2 108.996 179.669 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 121.526 0.679 . . . . 1.46 110.392 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -86.81 5.91 34.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.417 -0.802 . . . . 2.61 109.221 179.17 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.439 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 10.5 m-70 -78.65 -53.78 1.19 Allowed Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 121.099 -1.001 . . . . 3.96 112.234 -179.027 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 17' ' ' HIS . 2.2 Cg_endo -42.82 163.69 0.04 OUTLIER 'Trans proline' 0 N--CA 1.5 1.888 0 C-N-CA 121.842 1.695 . . . . 1.14 112.346 -179.178 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -66.96 174.44 6.81 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.688 2.259 . . . . 1.52 112.126 -178.903 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.41 13.34 80.61 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.801 -1.319 . . . . 1.41 109.801 -179.888 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.4 t -90.36 87.25 6.73 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.11 -1.23 . . . . 1.49 109.678 -179.765 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -83.03 144.45 29.92 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.641 -0.662 . . . . 2.59 110.08 179.962 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -107.28 69.67 0.27 Allowed Pre-proline 0 N--CA 1.508 2.451 0 O-C-N 121.242 -0.911 . . . . 2.78 111.033 -179.776 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -56.61 148.96 61.19 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.263 1.309 . . . . 1.04 111.245 178.936 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.05 -18.13 62.58 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.121 -0.987 . . . . 4.24 110.222 -179.56 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.5 m -70.1 -4.31 20.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.287 -0.883 . . . . 1.34 110.338 -179.265 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -92.93 -46.05 7.67 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.095 -1.003 . . . . 1.23 110.313 -179.029 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.4 p -100.81 -28.93 12.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.455 -0.778 . . . . 1.1 110.264 -178.52 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -60.45 -38.74 85.13 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.764 -1.21 . . . . 3.48 108.396 179.106 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.2 m -59.38 -31.8 69.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.283 -0.886 . . . . 1.04 109.178 179.553 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -81.56 143.23 32.14 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.132 -0.98 . . . . 1.3 110.233 -179.553 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -129.99 154.25 81.17 Favored Pre-proline 0 N--CA 1.496 1.834 0 N-CA-C 107.912 -1.144 . . . . 2.67 107.912 179.28 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.11 153.86 11.73 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.735 1.623 . . . . 0.74 111.976 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.44 134.06 21.01 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.16 -0.963 . . . . 1.08 111.119 -179.295 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.8 m -112.32 145.07 40.68 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.315 -0.866 . . . . 1.17 109.606 179.095 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.2 t -82.87 127.4 69.88 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.276 -0.89 . . . . 0.42 109.341 -179.856 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.38 -3.31 13.53 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 121.859 1.706 . . . . 1.16 112.61 -179.534 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.9 mt -100.93 -53.64 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.228 -0.92 . . . . 1.19 110.085 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.5 p -118.96 18.03 13.26 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 121.341 -0.849 . . . . 0.5 110.751 -179.407 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 54.49 16.26 1.25 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.261 -0.899 . . . . 1.1 111.902 178.545 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.16 134.73 56.74 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.575 -1.328 . . . . 1.08 107.587 177.854 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -94.02 117.62 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.914 -1.116 . . . . 1.14 110.07 -179.1 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.6 mm -112.44 131.17 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 107.069 -1.456 . . . . 1.07 107.069 178.508 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.474 HH11 ' HG2' ' A' ' 44' ' ' ARG . 18.0 mtt-85 -74.53 -61.97 1.69 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.662 -1.274 . . . . 2.82 110.537 -178.555 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.643 HE22 ' NH2' ' A' ' 47' ' ' ARG . 88.3 mt-30 -77.33 141.31 39.95 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.13 -0.981 . . . . 1.62 110.294 -179.098 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.4 p -69.33 -36.79 77.3 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.036 -1.04 . . . . 0.93 110.019 179.828 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.643 ' NH2' HE22 ' A' ' 45' ' ' GLN . 26.0 ptt180 -60.04 -34.02 72.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.824 -1.173 . . . . 1.04 108.566 179.659 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.496 ' ND2' ' OE1' ' A' ' 45' ' ' GLN . 99.0 m-20 -69.79 -29.62 66.97 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.935 -0.765 . . . . 0.34 108.935 178.765 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.47 -41.01 93.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.865 . . . . 1.13 109.097 179.281 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -60.01 -39.43 85.78 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.52 -1.289 . . . . 3.75 107.52 179.258 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -67.16 -38.36 85.33 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 109.259 -0.645 . . . . 0.51 109.259 179.194 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -61.65 -41.26 97.27 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.354 -0.841 . . . . 0.37 109.513 179.853 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.07 -39.95 94.14 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.264 -0.898 . . . . 1.12 110.298 -179.916 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 79.2 mm-40 -72.06 -20.29 61.69 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.377 -0.827 . . . . 2.08 111.914 -178.422 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.1 mt -103.72 -32.84 9.17 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.917 -1.114 . . . . 1.17 112.347 -178.13 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.562 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.8 mmm-85 -108.0 6.69 27.34 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.547 -1.346 . . . . 2.91 112.144 -178.073 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 86.0 m-70 -152.32 -68.59 0.16 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.398 -1.439 . . . . 0.67 111.165 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -77.73 8.14 4.87 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.773 -1.204 . . . . 1.04 109.318 -179.536 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.298 -1.635 0 O-C-N 121.64 -0.662 . . . . 1.2 110.148 -179.67 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.383 -0.599 . . . . 1.46 109.383 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -94.76 10.73 34.02 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.521 -0.737 . . . . 2.61 109.423 179.637 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.621 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 68.8 m-70 -82.32 -31.31 0.54 Allowed Pre-proline 0 N--CA 1.498 1.969 0 O-C-N 121.017 -1.052 . . . . 3.96 112.25 -179.016 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 73.6 Cg_exo -49.82 154.31 5.05 Favored 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 122.061 1.84 . . . . 1.14 112.139 -178.755 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -62.25 168.95 8.56 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.628 2.219 . . . . 1.52 112.303 -178.642 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.57 21.21 75.44 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 110.53 -1.028 . . . . 1.41 110.53 179.464 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.408 ' O ' ' CG2' ' A' ' 21' ' ' THR . 5.8 t -91.68 89.82 7.29 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.904 -1.351 . . . . 1.49 109.103 179.394 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -74.76 141.77 44.38 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.124 -0.985 . . . . 2.59 108.672 179.409 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -106.53 88.43 3.36 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.802 -0.562 . . . . 2.78 109.709 -179.434 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.31 137.42 18.89 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 121.659 1.573 . . . . 1.04 111.213 179.512 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.449 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 1.3 mpt_? -73.34 -8.18 54.77 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.526 -0.734 . . . . 4.24 109.587 -179.628 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.4 m -71.09 -5.33 30.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.912 -1.118 . . . . 1.34 109.755 -179.694 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' A' ' 27' ' ' ARG . 9.9 mmt-85 -97.08 -17.16 20.15 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.55 -0.718 . . . . 1.23 109.637 179.852 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.4 p -109.38 -42.97 4.22 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.612 -0.68 . . . . 1.1 110.068 -179.858 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -60.54 -36.13 77.69 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.235 -0.916 . . . . 3.48 110.468 -179.198 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.1 m -62.21 -19.32 63.04 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.258 -1.015 . . . . 1.04 108.258 -179.89 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -92.04 143.85 26.05 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.58 -0.7 . . . . 1.3 110.208 -179.367 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.468 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 4.4 mp0 -116.45 152.82 48.57 Favored Pre-proline 0 N--CA 1.499 2.011 0 N-CA-C 108.974 -0.751 . . . . 2.67 108.974 -179.689 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -57.07 151.88 47.79 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 121.765 1.643 . . . . 0.74 110.783 179.395 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.68 133.31 23.65 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 119.896 -0.722 . . . . 1.08 110.908 -178.849 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.6 m -114.79 140.06 49.22 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.466 0.65 . . . . 1.17 109.791 179.306 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 41' ' ' ALA . 5.3 t -74.76 127.05 87.78 Favored Pre-proline 0 C--N 1.302 -1.461 0 N-CA-C 108.302 -0.999 . . . . 0.42 108.302 179.106 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.99 -2.68 12.9 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.055 1.837 . . . . 1.16 111.908 179.926 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.8 mt -103.13 -59.71 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.297 -0.877 . . . . 1.19 110.061 -179.381 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' ALA . 13.9 p -112.7 27.45 9.62 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.479 -0.763 . . . . 0.5 110.356 -178.57 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 44.84 18.31 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.441 -0.787 . . . . 1.1 111.779 179.202 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . -56.7 134.61 54.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.566 -1.334 . . . . 1.08 107.533 177.783 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -95.79 111.84 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.058 -1.026 . . . . 1.14 110.462 -178.443 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.5 mm -109.79 126.07 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 107.355 -1.35 . . . . 1.07 107.355 178.243 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -70.73 -59.53 2.76 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 118.852 -1.139 . . . . 2.82 110.731 -178.888 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.599 ' NE2' HH21 ' A' ' 47' ' ' ARG . 90.2 mt-30 -79.92 137.9 36.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.301 -0.874 . . . . 1.62 109.262 -179.284 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.6 p -68.28 -38.75 82.01 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.26 -0.9 . . . . 0.93 110.668 -178.923 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.599 HH21 ' NE2' ' A' ' 45' ' ' GLN . 22.4 ptt180 -53.31 -37.64 62.44 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.273 -0.892 . . . . 1.04 108.607 179.873 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -72.39 -25.37 61.48 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.589 -0.695 . . . . 0.34 109.386 178.972 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.13 -48.2 82.71 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.997 -1.064 . . . . 1.13 109.159 -179.663 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -59.74 -40.01 86.65 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.351 -1.352 . . . . 3.75 107.351 179.815 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.94 -39.57 86.0 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.07 -1.052 . . . . 0.51 109.195 178.6 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -61.45 -36.81 81.45 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.283 -0.885 . . . . 0.37 109.97 -179.375 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.69 -39.94 86.2 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.802 -1.186 . . . . 1.12 109.594 -179.869 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 48.0 mt-10 -74.88 -19.59 60.08 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.325 -0.859 . . . . 2.08 112.81 -178.107 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.9 mt -95.86 -45.08 7.11 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.474 -1.391 . . . . 1.17 112.533 -177.974 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.519 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.8 mmm-85 -107.16 19.56 20.21 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 120.625 -1.297 . . . . 2.91 111.757 -178.015 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 95.6 m-70 -155.35 -75.19 0.11 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 120.341 -1.475 . . . . 0.67 110.736 179.687 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -78.61 10.76 2.95 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.276 -0.89 . . . . 1.04 110.203 -178.94 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.329 -0.857 . . . . 1.2 108.7 178.885 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 121.15 0.5 . . . . 1.46 110.512 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -92.83 4.66 53.44 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.36 -0.838 . . . . 2.61 109.565 178.924 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.581 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 50.6 m-70 -80.74 -31.99 0.64 Allowed Pre-proline 0 N--CA 1.498 1.947 0 N-CA-C 113.384 0.883 . . . . 3.96 113.384 -177.534 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 76.9 Cg_exo -50.26 140.15 34.44 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 121.565 1.51 . . . . 1.14 111.951 -179.068 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -76.22 -179.55 5.36 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.201 1.934 . . . . 1.52 111.337 179.837 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.3 31.31 63.74 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.248 -1.541 . . . . 1.41 109.248 -179.753 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.44 ' O ' ' CG2' ' A' ' 21' ' ' THR . 10.1 t -89.32 95.7 10.4 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.248 -1.148 . . . . 1.49 109.53 -179.333 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.34 141.71 38.23 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.188 -1.042 . . . . 2.59 108.188 179.455 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -105.3 74.26 0.26 Allowed Pre-proline 0 N--CA 1.497 1.908 0 O-C-N 121.257 -0.902 . . . . 2.78 111.039 -179.127 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -60.28 146.83 95.66 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.668 1.579 . . . . 1.04 112.201 179.567 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.549 HH11 ' CG ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.4 -16.77 61.84 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.286 -0.884 . . . . 4.24 110.905 -179.06 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.2 m -71.31 -0.51 10.22 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.659 -1.275 . . . . 1.34 110.184 -179.569 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -89.74 -64.0 1.2 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.077 -1.014 . . . . 1.23 110.872 -178.998 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -88.82 -27.36 21.13 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.986 -1.071 . . . . 1.1 111.195 -178.321 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -61.74 -38.39 87.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.669 -1.27 . . . . 3.48 108.793 179.955 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.2 m -60.06 -31.03 69.61 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.603 -0.685 . . . . 1.04 110.689 -179.075 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -92.28 135.16 34.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.784 -1.197 . . . . 1.3 110.015 -178.785 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -113.28 149.37 41.36 Favored Pre-proline 0 N--CA 1.5 2.029 0 N-CA-C 109.116 -0.698 . . . . 2.67 109.116 -179.833 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -38.93 152.41 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.117 1.878 . . . . 0.74 112.065 -179.327 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -145.99 127.38 14.95 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.212 -0.93 . . . . 1.08 109.856 -179.465 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.4 ' CG2' ' N ' ' A' ' 36' ' ' CYS . 77.0 m -108.21 159.03 16.93 Favored 'General case' 0 N--CA 1.499 1.978 0 CA-C-O 121.849 0.833 . . . . 1.17 110.338 -179.699 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.4 ' N ' ' CG2' ' A' ' 35' ' ' THR . 2.6 t -93.98 128.4 41.41 Favored Pre-proline 0 C--N 1.304 -1.409 0 N-CA-C 108.79 -0.818 . . . . 0.42 108.79 179.725 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.07 -5.73 16.06 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.036 1.824 . . . . 1.16 112.278 -179.516 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.1 mt -97.82 -60.04 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.294 -0.879 . . . . 1.19 110.079 -179.554 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.9 p -112.45 23.01 14.05 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.393 -0.817 . . . . 0.5 110.826 -179.076 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 49.21 19.97 0.37 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.184 -0.947 . . . . 1.1 111.065 178.821 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.58 138.23 56.98 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 107.058 -1.46 . . . . 1.08 107.058 178.167 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.7 t -95.75 115.95 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.18 -0.95 . . . . 1.14 110.001 -178.844 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 42.8 mm -113.85 129.82 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 108.037 -1.098 . . . . 1.07 108.037 178.809 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -74.07 -62.37 1.53 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.885 -1.135 . . . . 2.82 111.245 -178.511 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -80.16 140.83 36.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.962 -1.086 . . . . 1.62 110.455 -179.743 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.9 p -66.83 -39.24 87.58 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.045 -1.034 . . . . 0.93 110.073 179.904 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 10.9 ptp180 -54.75 -36.96 65.35 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.654 -1.279 . . . . 1.04 108.522 179.592 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 99.1 m-20 -67.06 -30.76 70.92 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.603 -0.685 . . . . 0.34 109.336 -179.888 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.84 -42.47 89.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.155 -0.966 . . . . 1.13 108.912 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -59.24 -41.74 89.43 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.263 -1.014 . . . . 3.75 108.263 -179.74 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -66.67 -32.54 73.92 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.351 -0.843 . . . . 0.51 110.356 179.322 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -64.07 -43.29 95.9 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.158 -0.964 . . . . 0.37 110.201 -179.217 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.9 mt -62.0 -39.83 93.59 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.207 -0.933 . . . . 1.12 110.385 -179.656 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 98.3 mt-10 -70.05 -29.38 66.38 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.231 -0.918 . . . . 2.08 111.726 -178.507 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.3 mt -98.81 -31.75 11.71 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.852 -1.155 . . . . 1.17 111.995 -178.312 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.545 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 21.3 mmm180 -107.14 8.84 30.35 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.003 -1.061 . . . . 2.91 112.199 -177.257 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.545 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.5 m-70 -155.31 -66.5 0.12 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 120.282 -1.511 . . . . 0.67 111.148 179.451 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -79.55 7.18 8.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.746 -1.221 . . . . 1.04 109.581 -179.068 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.516 -0.74 . . . . 1.2 109.042 178.981 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 109.378 -0.601 . . . . 1.46 109.378 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -92.94 10.09 32.75 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.156 -0.965 . . . . 2.61 109.623 179.262 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.633 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 52.8 t-80 -82.68 -30.11 0.49 Allowed Pre-proline 0 N--CA 1.497 1.922 0 O-C-N 121.201 -0.937 . . . . 3.96 112.905 -178.471 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 78.0 Cg_exo -52.46 139.78 55.26 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.162 1.908 . . . . 1.14 113.07 -178.197 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.7 173.4 13.44 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.344 2.029 . . . . 1.52 112.31 179.662 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.47 25.91 64.56 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 110.167 -1.173 . . . . 1.41 110.167 179.455 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 t -91.36 86.71 6.19 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.093 -1.24 . . . . 1.49 109.113 179.75 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -82.85 139.48 33.45 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.91 -1.144 . . . . 2.59 107.91 179.132 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -89.19 112.63 52.35 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 121.05 -1.031 . . . . 2.78 111.28 -178.673 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -86.36 136.42 4.73 Favored 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.285 1.99 . . . . 1.04 111.323 178.181 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.64 -21.11 62.66 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.261 -0.899 . . . . 4.24 110.618 -179.782 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 m -69.46 -2.23 10.63 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.125 -0.985 . . . . 1.34 109.717 -179.181 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' A' ' 27' ' ' ARG . 2.0 mmt-85 -107.72 -26.24 10.91 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 121.3 -0.875 . . . . 1.23 111.026 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 p -109.97 -36.22 5.93 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 120.897 -1.127 . . . . 1.1 109.121 -179.843 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -63.3 -35.65 81.06 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.35 -0.844 . . . . 3.48 110.381 -179.858 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.0 m -60.31 -26.62 66.67 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.768 -1.207 . . . . 1.04 110.448 -179.46 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.494 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 68.9 mm-40 -80.79 135.18 35.92 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.21 -0.931 . . . . 1.3 109.908 -179.609 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -114.91 153.58 47.01 Favored Pre-proline 0 N--CA 1.506 2.368 0 O-C-N 121.342 -0.849 . . . . 2.67 108.806 179.559 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -42.24 152.49 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.858 1.705 . . . . 0.74 112.088 179.151 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.91 131.13 17.42 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.163 -0.96 . . . . 1.08 109.375 179.692 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 m -114.51 160.83 18.78 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.643 -0.66 . . . . 1.17 109.766 -179.365 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.532 ' O ' ' N ' ' A' ' 40' ' ' TYR . 5.4 t -105.4 101.09 29.44 Favored Pre-proline 0 N--CA 1.495 1.802 0 N-CA-C 109.248 -0.649 . . . . 0.42 109.248 179.671 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.93 -3.23 0.43 Allowed 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 122.053 1.836 . . . . 1.16 113.741 -179.685 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.1 mt -95.46 -50.78 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.846 -1.159 . . . . 1.19 109.594 -178.977 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.7 p -121.03 8.14 10.39 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 109.027 -0.731 . . . . 0.5 109.027 179.608 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' CYS . 88.3 m-85 59.22 20.97 9.05 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.894 -0.504 . . . . 1.1 111.32 178.931 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.22 138.47 56.25 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.385 -1.447 . . . . 1.08 107.137 178.075 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -95.73 109.39 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.909 -1.119 . . . . 1.14 109.797 -178.973 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' ALA . 37.9 mm -109.96 129.54 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 N-CA-C 108.806 -0.812 . . . . 1.07 108.806 179.228 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -74.61 -56.22 5.05 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.835 -1.166 . . . . 2.82 110.708 -179.343 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.516 ' OE1' ' ND2' ' A' ' 48' ' ' ASN . 98.5 mt-30 -78.43 130.15 35.75 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.841 -1.162 . . . . 1.62 110.45 -179.205 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.3 p -63.22 -39.78 95.6 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.226 -0.921 . . . . 0.93 109.289 179.734 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.494 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -58.09 -41.46 83.51 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 118.552 -1.259 . . . . 1.04 108.821 179.534 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.516 ' ND2' ' OE1' ' A' ' 45' ' ' GLN . 86.1 m-20 -60.84 -35.61 76.99 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.227 -0.921 . . . . 0.34 109.687 179.866 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.86 -39.94 78.97 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.409 -0.959 . . . . 1.13 108.409 179.764 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -58.97 -40.68 85.5 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.82 -1.178 . . . . 3.75 107.82 179.703 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 ttp-105 -65.93 -36.4 83.26 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.83 -0.748 . . . . 0.51 109.006 178.833 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -65.54 -39.42 91.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.469 -0.769 . . . . 0.37 110.585 -179.692 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 58' ' ' PHE . 84.9 mt -59.18 -40.5 85.89 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.609 -1.307 . . . . 1.12 109.212 -179.447 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.64 -24.48 61.06 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.218 -0.926 . . . . 2.08 112.004 -179.447 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -88.68 -43.22 11.48 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.425 -1.422 . . . . 1.17 112.148 -177.279 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.6 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 29.2 mmm-85 -106.09 0.68 25.71 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.952 -1.093 . . . . 2.91 113.286 -176.919 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.6 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 46.5 m-70 -148.34 -65.34 0.25 Allowed 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.079 -1.638 . . . . 0.67 111.491 -179.056 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 53' ' ' LEU . 39.6 m-85 -79.43 21.07 0.51 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.078 -1.014 . . . . 1.04 110.121 -178.746 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.674 0 O-C-N 121.534 -0.729 . . . . 1.2 109.668 -179.857 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 120.902 0.382 . . . . 1.46 110.467 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -94.88 4.57 53.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.252 -0.905 . . . . 2.61 110.148 179.059 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.599 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 6.7 t60 -83.08 -34.74 0.63 Allowed Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.195 -0.941 . . . . 3.96 112.187 -178.359 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 74.3 Cg_exo -50.84 155.8 5.33 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.843 1.695 . . . . 1.14 111.195 -179.122 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -57.91 165.42 6.67 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.411 2.074 . . . . 1.52 112.089 -179.035 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.59 17.27 73.66 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.097 -1.201 . . . . 1.41 110.097 179.711 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.44 85.45 5.77 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.131 -1.217 . . . . 1.49 108.655 179.424 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -74.99 146.23 41.84 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.094 -1.004 . . . . 2.59 108.932 -179.858 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -105.84 74.15 0.3 Allowed Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.388 -0.82 . . . . 2.78 110.786 -179.291 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.32 138.63 51.68 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 C-N-CA 121.276 1.317 . . . . 1.04 111.259 179.15 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HG2' HH11 ' A' ' 25' ' ' ARG . 6.4 mmt-85 -71.37 -4.31 25.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.322 -0.862 . . . . 4.24 110.053 -179.29 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.3 m -69.54 -2.78 12.3 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.135 -0.978 . . . . 1.34 109.658 -179.909 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -106.13 -26.65 11.5 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.16 -0.962 . . . . 1.23 110.037 -179.158 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 p -105.91 -28.71 10.43 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.32 -0.862 . . . . 1.1 109.802 -179.451 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -66.37 -38.75 88.29 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.125 -0.984 . . . . 3.48 109.324 179.591 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.0 m -57.21 -31.64 65.69 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.439 -0.788 . . . . 1.04 109.627 -179.583 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -95.79 142.21 28.34 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.571 0.7 . . . . 1.3 110.09 -179.449 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -116.78 151.43 47.27 Favored Pre-proline 0 N--CA 1.494 1.755 0 N-CA-C 107.627 -1.249 . . . . 2.67 107.627 179.228 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -38.2 154.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 121.873 1.715 . . . . 0.74 112.035 179.722 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.76 137.87 26.76 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.005 -1.059 . . . . 1.08 109.964 179.604 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.7 m -114.91 148.99 37.93 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.417 -0.802 . . . . 1.17 110.153 -179.462 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.0 t -86.14 126.31 65.52 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 108.77 -0.826 . . . . 0.42 108.77 179.776 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.73 -0.45 10.2 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 121.129 1.22 . . . . 1.16 112.373 -179.709 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -104.11 -53.31 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.222 -0.923 . . . . 1.19 110.898 -179.588 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.4 p -118.08 17.04 14.13 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.264 -0.898 . . . . 0.5 110.186 -179.497 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 55.05 14.72 1.01 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.548 -0.72 . . . . 1.1 111.435 178.979 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.54 136.92 49.71 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.47 -1.394 . . . . 1.08 107.931 178.739 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.79 116.34 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.985 -1.072 . . . . 1.14 109.583 -179.093 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.1 mm -109.85 128.51 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.278 -1.379 . . . . 1.07 107.278 178.425 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.428 HH11 ' HG2' ' A' ' 44' ' ' ARG . 16.6 mtt-85 -71.44 -59.75 2.6 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.125 -0.984 . . . . 2.82 110.385 -178.768 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -83.81 139.93 32.37 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.125 -0.984 . . . . 1.62 111.043 -179.325 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -65.76 -36.28 83.11 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.264 -0.898 . . . . 0.93 110.426 179.4 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -59.81 -38.98 83.51 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.679 -1.263 . . . . 1.04 108.795 -179.75 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.06 -28.9 69.19 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.282 -0.886 . . . . 0.34 108.945 179.289 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.4 tp -58.94 -45.1 91.26 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.117 -0.989 . . . . 1.13 109.256 -179.866 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.4 ' HG3' ' NH1' ' A' ' 50' ' ' ARG . 42.7 ttm-85 -60.02 -40.07 88.03 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.764 -1.21 . . . . 3.75 108.596 179.703 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -64.8 -36.9 85.8 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.605 -0.685 . . . . 0.51 109.402 179.596 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -63.19 -41.58 99.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.376 -0.828 . . . . 0.37 109.577 -179.962 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.41 -41.62 94.3 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.08 -1.013 . . . . 1.12 109.437 179.759 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 80.0 mm-40 -73.61 -24.41 60.04 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.516 -0.74 . . . . 2.08 112.274 -179.219 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.4 mt -100.58 -38.21 8.45 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.987 -1.071 . . . . 1.17 112.023 -178.037 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 17.5 mmm180 -103.19 12.92 35.09 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.987 -1.07 . . . . 2.91 112.277 -177.0 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.3 m-70 -154.5 -65.81 0.13 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.168 -1.582 . . . . 0.67 111.425 179.49 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -81.52 1.42 33.58 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.047 -1.033 . . . . 1.04 110.267 -178.755 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.183 -0.948 . . . . 1.2 108.859 179.503 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 121.043 0.449 . . . . 1.46 110.217 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -92.53 12.87 21.49 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.422 -0.799 . . . . 2.61 109.423 179.122 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.618 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.9 m170 -81.67 -30.18 0.53 Allowed Pre-proline 0 N--CA 1.497 1.877 0 N-CA-C 113.325 0.861 . . . . 3.96 113.325 -178.509 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 69.0 Cg_exo -52.3 155.18 9.81 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.308 2.006 . . . . 1.14 112.476 -178.864 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.74 174.19 4.83 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.401 2.068 . . . . 1.52 111.909 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.64 10.99 85.88 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.823 -1.311 . . . . 1.41 109.823 -179.996 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.455 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.9 t -92.94 86.58 5.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -1.181 . . . . 1.49 109.176 -179.752 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -80.63 153.56 27.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.059 -1.026 . . . . 2.59 109.69 -179.978 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -105.5 70.89 0.22 Allowed Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 122.013 -0.43 . . . . 2.78 110.17 -179.814 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -63.2 135.35 50.15 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.056 1.837 . . . . 1.04 111.106 179.474 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.525 ' HG2' HH11 ' A' ' 25' ' ' ARG . 4.7 mmt-85 -70.04 -5.94 30.1 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.309 -0.869 . . . . 4.24 110.569 -179.212 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.6 m -72.55 -3.88 27.29 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.625 -1.297 . . . . 1.34 109.723 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -106.41 -26.4 11.48 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.246 -0.909 . . . . 1.23 109.167 179.692 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.9 p -106.69 -32.17 8.12 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.47 -0.768 . . . . 1.1 109.531 179.785 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -61.0 -37.67 83.34 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.954 -1.091 . . . . 3.48 108.188 179.051 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.3 m -59.96 -29.91 68.73 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.482 -0.761 . . . . 1.04 109.075 179.3 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -83.38 135.44 34.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.188 -0.945 . . . . 1.3 109.462 179.542 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -116.32 151.48 46.88 Favored Pre-proline 0 N--CA 1.499 2.004 0 N-CA-C 108.303 -0.999 . . . . 2.67 108.303 179.105 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -41.5 157.42 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.058 1.839 . . . . 0.74 111.934 179.396 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.35 130.95 17.82 Favored 'General case' 0 N--CA 1.507 2.396 0 O-C-N 120.872 -1.142 . . . . 1.08 110.97 -179.75 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.3 m -116.93 140.73 49.12 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 121.389 -0.82 . . . . 1.17 110.066 179.163 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.7 t -82.01 123.72 79.59 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.389 -0.819 . . . . 0.42 109.302 179.569 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.4 1.14 7.71 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.413 1.409 . . . . 1.16 112.774 -179.626 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.3 mt -104.97 -46.57 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.052 -1.03 . . . . 1.19 110.316 -179.576 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.9 p -125.63 18.63 8.04 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.47 -0.769 . . . . 0.5 110.255 -179.776 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 52.84 18.31 1.03 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.494 -0.754 . . . . 1.1 111.623 178.527 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.63 132.07 52.12 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 107.014 -1.476 . . . . 1.08 107.014 178.125 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 t -93.14 113.23 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.758 -1.214 . . . . 1.14 110.185 -178.802 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 34' ' ' ALA . 41.9 mm -108.92 131.39 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 108.186 -1.042 . . . . 1.07 108.186 179.25 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.471 HH11 ' HG2' ' A' ' 44' ' ' ARG . 24.3 mtt-85 -74.62 -59.46 2.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.616 -1.303 . . . . 2.82 110.7 -179.172 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.674 HE22 ' NH2' ' A' ' 47' ' ' ARG . 73.6 mt-30 -81.93 138.19 35.03 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.212 -0.93 . . . . 1.62 110.22 -179.048 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.7 p -66.94 -38.76 86.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.298 -0.876 . . . . 0.93 110.038 -179.464 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.674 ' NH2' HE22 ' A' ' 45' ' ' GLN . 30.6 ptt180 -53.75 -43.67 69.36 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.848 -1.157 . . . . 1.04 108.43 179.494 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.429 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 95.7 m-20 -62.17 -31.75 72.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.512 -0.742 . . . . 0.34 109.802 179.638 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.8 tp -60.11 -42.13 94.08 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 120.999 -1.063 . . . . 1.13 109.4 -179.987 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.52 ' HG2' HH11 ' A' ' 50' ' ' ARG . 19.8 mtt-85 -59.18 -37.4 77.3 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.519 -1.289 . . . . 3.75 107.519 179.585 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -68.25 -37.42 80.75 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.111 -0.7 . . . . 0.51 109.111 178.838 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -62.71 -39.91 95.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.316 -0.865 . . . . 0.37 109.431 179.84 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.58 -43.19 97.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.943 -1.098 . . . . 1.12 110.173 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 79.9 mm-40 -72.7 -26.8 61.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.002 -1.062 . . . . 2.08 112.12 -178.827 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.0 mt -90.34 -38.77 13.13 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.469 -1.395 . . . . 1.17 112.085 -177.387 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.563 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.6 mmm180 -108.42 8.56 27.52 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.072 -1.017 . . . . 2.91 113.316 -176.911 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 85.2 m-70 -152.56 -69.68 0.16 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 119.943 -1.723 . . . . 0.67 111.38 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -81.54 20.94 0.84 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.18 -0.95 . . . . 1.04 109.724 -178.906 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.43 -0.794 . . . . 1.2 109.222 -179.815 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 121.033 0.444 . . . . 1.46 111.022 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -89.77 18.42 5.6 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 109.166 -0.679 . . . . 2.61 109.166 178.445 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.628 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 27.7 m170 -77.26 -31.14 0.83 Allowed Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.333 -0.854 . . . . 3.96 111.52 -179.322 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.6 Cg_exo -54.16 149.61 35.46 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.605 1.537 . . . . 1.14 111.725 -179.496 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -76.95 171.71 17.48 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.267 1.978 . . . . 1.52 112.864 -179.483 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.56 29.63 47.89 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 110.59 -1.004 . . . . 1.41 110.59 179.589 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.442 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.5 t -91.38 90.92 7.9 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.11 -1.229 . . . . 1.49 110.112 179.907 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -84.72 149.24 25.92 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.622 -0.881 . . . . 2.59 108.622 178.89 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -105.21 81.37 0.61 Allowed Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.683 -0.636 . . . . 2.78 109.537 179.858 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.9 136.09 40.26 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.044 1.163 . . . . 1.04 110.778 179.433 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -67.65 -11.13 57.56 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.462 -0.774 . . . . 4.24 110.16 -178.53 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.1 m -72.47 -5.35 36.17 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.98 -1.075 . . . . 1.34 110.639 -179.464 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.5 mmt-85 -102.5 -27.66 12.65 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.09 -1.007 . . . . 1.23 109.836 -179.859 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.2 p -100.52 -30.61 11.7 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.92 -1.113 . . . . 1.1 110.068 -179.219 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -72.93 -30.39 63.85 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.291 -0.88 . . . . 3.48 109.923 178.848 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.2 m -54.9 -32.64 61.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.024 -1.047 . . . . 1.04 109.794 -179.475 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -96.19 151.52 19.42 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.053 -1.029 . . . . 1.3 110.308 -179.851 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -118.08 153.15 51.2 Favored Pre-proline 0 N--CA 1.496 1.857 0 N-CA-C 107.339 -1.356 . . . . 2.67 107.339 178.257 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -47.93 151.25 3.98 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 121.507 1.471 . . . . 0.74 111.297 -179.134 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -141.26 136.4 31.6 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.205 -0.934 . . . . 1.08 110.032 -179.013 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.1 m -114.25 145.12 42.15 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 121.56 0.695 . . . . 1.17 109.473 179.852 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -79.98 129.15 71.39 Favored Pre-proline 0 N--CA 1.492 1.647 0 N-CA-C 108.536 -0.913 . . . . 0.42 108.536 179.259 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.09 -2.0 12.13 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.606 1.537 . . . . 1.16 112.42 -179.252 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.9 mt -102.27 -61.28 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.559 -0.713 . . . . 1.19 110.216 -179.561 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.6 p -110.5 17.51 20.7 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.887 -1.133 . . . . 0.5 110.756 -179.321 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 55.78 16.47 2.03 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.505 -0.747 . . . . 1.1 111.33 178.504 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.78 136.78 56.97 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 107.269 -1.382 . . . . 1.08 107.269 178.402 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 t -94.08 117.82 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.895 -1.128 . . . . 1.14 110.24 -178.686 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.6 mm -113.61 128.16 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 108.115 -1.069 . . . . 1.07 108.115 178.532 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' A' ' 44' ' ' ARG . 26.2 mtt-85 -72.37 -59.99 2.45 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.837 -1.164 . . . . 2.82 111.076 -178.101 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -78.04 139.89 39.12 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.031 -1.043 . . . . 1.62 110.079 -179.273 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.4 p -66.38 -36.9 84.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.425 -0.797 . . . . 0.93 109.598 179.699 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.494 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 10.1 ptp180 -58.44 -44.15 89.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.098 -1.002 . . . . 1.04 108.505 -179.827 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.494 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 97.6 m-20 -63.7 -27.28 69.1 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.524 -0.735 . . . . 0.34 109.98 179.733 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.4 tp -59.48 -49.92 75.93 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.619 -1.301 . . . . 1.13 109.186 -179.469 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' HG3' HH11 ' A' ' 50' ' ' ARG . 31.7 ttm-85 -58.64 -40.32 83.06 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 118.562 -1.255 . . . . 3.75 108.733 -179.062 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -60.89 -38.45 85.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.333 -0.854 . . . . 0.51 109.223 178.802 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -60.8 -35.46 76.53 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.028 -0.73 . . . . 0.37 109.028 179.729 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.6 -44.53 93.35 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.159 -0.963 . . . . 1.12 109.436 179.786 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 80.0 mm-40 -72.99 -24.92 60.82 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.195 -0.94 . . . . 2.08 112.446 -179.117 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.3 mt -88.52 -46.38 9.14 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.318 -1.488 . . . . 1.17 112.263 -177.33 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -105.94 17.27 23.89 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 120.934 -1.104 . . . . 2.91 112.627 -176.966 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -152.04 -74.96 0.14 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.204 -1.56 . . . . 0.67 109.956 179.103 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -80.96 18.21 1.06 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.444 -0.785 . . . . 1.04 110.224 -179.297 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.33 -0.856 . . . . 1.2 109.175 179.822 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.735 0 N-CA-C 109.751 -0.463 . . . . 1.46 109.751 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -93.2 15.6 15.0 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.338 -0.851 . . . . 2.61 109.59 179.0 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.639 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 39.2 t-80 -80.34 -31.41 0.64 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.296 -0.877 . . . . 3.96 112.317 -178.45 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 83.1 Cg_exo -51.63 146.33 27.14 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.996 1.797 . . . . 1.14 112.278 -178.628 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.41 174.16 12.26 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.303 2.002 . . . . 1.52 112.373 179.271 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.57 28.87 66.63 Favored Glycine 0 N--CA 1.489 2.208 0 C-N-CA 119.971 -1.109 . . . . 1.41 110.498 179.317 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.94 87.73 6.74 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.886 -1.361 . . . . 1.49 109.297 179.872 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -80.25 139.69 36.57 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.338 -0.986 . . . . 2.59 108.338 179.012 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -90.31 112.57 53.44 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.321 -0.862 . . . . 2.78 110.446 -179.238 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -85.78 133.42 4.33 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.076 1.851 . . . . 1.04 111.466 179.207 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -69.05 -10.93 60.04 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.118 -0.989 . . . . 4.24 110.155 -179.498 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -71.43 -6.64 41.81 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.059 -1.025 . . . . 1.34 109.326 179.364 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.519 HH11 ' HG2' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -104.14 -25.53 12.91 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.237 -0.915 . . . . 1.23 109.882 179.67 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -105.11 -35.89 7.46 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.378 -0.826 . . . . 1.1 109.309 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -60.42 -33.84 73.08 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.387 -0.82 . . . . 3.48 108.941 179.581 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -67.64 -22.22 65.33 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.673 -0.642 . . . . 1.04 109.636 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -91.44 138.41 31.6 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.266 -0.896 . . . . 1.3 110.089 -178.859 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -120.28 153.28 55.73 Favored Pre-proline 0 N--CA 1.503 2.208 0 O-C-N 121.52 -0.737 . . . . 2.67 109.1 179.725 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -44.29 151.81 0.5 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.754 1.636 . . . . 0.74 111.639 179.602 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 43' ' ' ILE . . . -147.06 127.58 14.11 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.438 -0.789 . . . . 1.08 109.474 -179.981 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.7 m -110.62 152.56 26.32 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.316 -0.865 . . . . 1.17 109.782 -179.579 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.7 t -87.66 128.63 53.81 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.946 . . . . 0.42 109.325 -179.965 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.34 -0.68 10.36 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 121.4 1.4 . . . . 1.16 113.012 -179.632 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.412 HG22 HD11 ' A' ' 38' ' ' ILE . 82.9 mt -105.65 -60.56 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 121.027 -1.045 . . . . 1.19 111.116 -179.306 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.2 p -108.98 15.27 23.53 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.193 -0.942 . . . . 0.5 110.097 -178.652 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 55.07 20.29 3.19 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.477 -0.765 . . . . 1.1 111.329 179.58 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.0 135.83 57.75 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.433 -1.321 . . . . 1.08 107.433 178.12 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 t -94.7 113.47 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.939 -1.1 . . . . 1.14 110.349 -178.692 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 34' ' ' ALA . 33.6 mm -110.75 129.89 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 N-CA-C 107.664 -1.236 . . . . 1.07 107.664 177.908 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.53 HH11 ' HG2' ' A' ' 44' ' ' ARG . 19.6 mtt-85 -72.37 -60.13 2.38 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.828 -1.17 . . . . 2.82 110.278 -179.072 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.525 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 86.5 mt-30 -77.97 137.86 38.54 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.918 -1.114 . . . . 1.62 110.691 -179.092 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.5 p -67.82 -37.78 82.41 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.545 -0.722 . . . . 0.93 110.686 -179.718 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.525 ' NH2' ' OE1' ' A' ' 45' ' ' GLN . 26.3 ptt180 -59.92 -38.36 82.13 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.048 -1.032 . . . . 1.04 108.972 -179.437 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.413 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 86.1 m-20 -68.06 -28.49 67.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.232 -0.918 . . . . 0.34 109.204 179.358 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.07 -45.99 91.06 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.371 -0.831 . . . . 1.13 109.662 179.766 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -59.74 -39.17 83.85 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.572 -1.27 . . . . 3.75 107.572 -179.706 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -63.63 -35.47 80.64 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.747 -0.781 . . . . 0.51 108.958 178.534 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -63.48 -35.94 82.13 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.463 -0.773 . . . . 0.37 109.048 -179.959 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.91 -40.95 90.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.44 -0.788 . . . . 1.12 109.223 179.443 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 80.3 mm-40 -74.21 -22.97 59.15 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.218 -0.927 . . . . 2.08 111.991 -179.127 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.5 mt -92.67 -44.61 8.47 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 120.545 -1.347 . . . . 1.17 112.522 -178.179 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.526 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 16.4 mmm180 -105.13 16.46 25.77 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.774 -1.204 . . . . 2.91 112.685 -177.251 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.526 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.7 m-70 -152.52 -71.29 0.15 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.28 -1.513 . . . . 0.67 111.145 179.945 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -79.86 9.23 5.52 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.154 -0.966 . . . . 1.04 109.68 -179.12 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.338 -0.852 . . . . 1.2 109.324 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.48 3.349 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.55 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.731 3.663 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.55 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.089 0 O4'-C1'-N19 110.337 3.171 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.502 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.629 1 O4'-C1'-N19 111.019 4.023 . . . . 0.4 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.502 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.201 0 O4'-C1'-N19 110.899 3.874 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.559 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.962 0 C3'-C2'-C1' 106.978 3.056 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.559 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.849 0 C3'-C2'-C1' 107.168 3.192 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.473 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.97 1 O4'-C1'-N19 111.393 4.491 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.432 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.28 0 O4'-C1'-N19 110.51 3.388 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.569 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.542 3.864 0 C3'-C2'-C1' 107.125 3.16 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.569 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.201 0 O4'-C1'-N19 110.758 3.697 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.758 1 O4'-C1'-N19 111.115 4.144 . . . . 0.95 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O4'-C1'-N19 110.547 3.434 . . . . 1.14 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.406 ' C5 ' ' N4 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.971 1 O4'-C1'-N19 111.305 4.381 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.457 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.384 0 C3'-C2'-C1' 106.906 3.004 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.457 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.662 0 O4'-C1'-N19 110.329 3.162 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.415 ' O2 ' ' NH1' ' A' ' 14' ' ' ARG . . . . . . . . 1 C5'--C4' 1.544 4.125 1 O4'-C1'-N19 111.871 5.089 . . . . 1.95 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.457 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.925 0 O4'-C1'-N19 110.864 3.83 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.457 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.395 1 O4'-C1'-N19 111.095 4.118 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.553 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.955 1 O4'-C1'-N19 111.362 4.453 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.553 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.44 0 O4'-C1'-N19 110.855 3.818 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 0 O4'-C1'-N19 110.645 3.557 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 N--CA 1.494 1.509 0 CA-C-O 121.241 0.434 . . . . 8.38 112.15 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -79.43 151.32 30.95 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.483 -0.932 . . . . 7.76 108.483 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.67 154.81 37.83 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.066 -1.022 . . . . 4.56 109.663 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -79.77 163.07 24.74 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.265 -0.897 . . . . 4.79 109.298 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.415 ' NH1' ' O2 ' ' C' ' 117' ' ' ' DC' . 87.4 mtt180 -81.82 93.54 6.88 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.083 -1.01 . . . . 0.85 109.651 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.28 131.39 44.03 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.368 -0.832 . . . . 1.46 109.868 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -92.14 11.68 24.7 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 107.94 -1.133 . . . . 2.61 107.94 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.602 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 8.4 t-80 -82.16 -31.59 0.56 Allowed Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.492 -0.755 . . . . 3.96 112.912 -177.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.9 Cg_exo -53.15 154.23 14.43 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.861 1.707 . . . . 1.14 112.158 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.72 164.67 34.65 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.448 2.099 . . . . 1.52 112.467 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.28 37.73 47.58 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 109.509 -1.437 . . . . 1.41 109.509 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 21' ' ' THR . 11.0 t -93.29 85.38 4.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.113 -1.227 . . . . 1.49 108.555 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -81.79 144.36 31.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.943 -1.098 . . . . 2.59 109.286 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -106.67 76.61 0.44 Allowed Pre-proline 0 N--CA 1.495 1.775 0 O-C-N 121.522 -0.736 . . . . 2.78 110.211 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.35 142.71 41.7 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.849 1.7 . . . . 1.04 111.679 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -73.53 -5.85 42.77 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.43 -0.794 . . . . 4.24 109.545 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 m -66.77 -1.87 4.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.036 -1.04 . . . . 1.34 109.194 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.473 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 28.5 mmt180 -105.7 -27.76 11.12 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.159 -0.963 . . . . 1.23 109.07 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.1 p -101.66 -35.05 9.24 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.484 -0.76 . . . . 1.1 109.049 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -59.55 -39.48 84.13 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.504 -0.747 . . . . 3.48 109.813 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.6 m -60.18 -29.76 68.9 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.232 -0.918 . . . . 1.04 111.28 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' CG ' HH21 ' A' ' 47' ' ' ARG . 81.2 mm-40 -95.15 145.4 25.04 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.86 -1.15 . . . . 1.3 110.185 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -119.05 151.72 50.93 Favored Pre-proline 0 N--CA 1.5 2.04 0 N-CA-C 108.33 -0.989 . . . . 2.67 108.33 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -38.93 156.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.159 0 C-N-CA 121.865 1.71 . . . . 0.74 112.04 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.49 135.99 21.77 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.181 -0.949 . . . . 1.08 110.035 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 m -116.4 149.65 39.06 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.706 -0.621 . . . . 1.17 109.524 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.2 t -88.11 127.24 58.17 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 121.311 -0.868 . . . . 0.42 108.669 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.15 -6.17 17.62 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 121.111 1.208 . . . . 1.16 111.911 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.8 mt -97.2 -55.92 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.236 -0.915 . . . . 1.19 111.118 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.9 p -115.63 15.64 16.54 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.327 -0.858 . . . . 0.5 109.891 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 55.3 19.98 3.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.503 -0.748 . . . . 1.1 111.054 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.33 140.04 57.33 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.332 -1.359 . . . . 1.08 107.332 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.63 111.62 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 O-C-N 120.848 -1.157 . . . . 1.14 110.988 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.441 HD11 HG22 ' A' ' 43' ' ' ILE . 38.0 mm -109.62 129.99 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 N-CA-C 107.758 -1.201 . . . . 1.07 107.758 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -70.86 -56.39 6.4 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.914 -1.116 . . . . 2.82 111.281 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.46 133.22 35.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.331 -0.856 . . . . 1.62 111.032 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -61.99 -36.97 83.1 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.359 -0.838 . . . . 0.93 109.669 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.5 ptp180 -60.17 -43.04 96.15 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.586 -1.321 . . . . 1.04 108.756 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.459 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 96.2 m-20 -64.49 -28.68 69.82 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.325 -0.859 . . . . 0.34 109.381 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.44 -45.33 91.88 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.836 -1.165 . . . . 1.13 109.342 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -58.29 -41.97 85.54 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.983 -1.073 . . . . 3.75 109.196 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 40.8 ttp180 -62.05 -37.37 84.71 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.404 -0.81 . . . . 0.51 109.33 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -61.39 -32.87 72.81 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.238 -0.914 . . . . 0.37 108.923 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.7 mt -60.01 -49.26 78.38 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.085 -1.009 . . . . 1.12 109.115 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 14.6 mp0 -70.45 -24.42 62.88 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.085 -1.009 . . . . 2.08 111.05 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.26 -59.66 2.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.657 -1.277 . . . . 1.17 111.681 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 18.8 mmm180 -103.53 21.03 16.8 Favored 'General case' 0 N--CA 1.511 2.622 0 O-C-N 120.673 -1.267 . . . . 2.91 113.156 -177.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 91.8 m-70 -150.9 -73.26 0.16 Allowed 'General case' 0 N--CA 1.509 2.486 0 O-C-N 119.964 -1.71 . . . . 0.67 110.6 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -84.13 25.16 0.86 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.105 -0.997 . . . . 1.04 110.031 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -72.17 2.67 5.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.421 -0.8 . . . . 1.2 109.83 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -86.82 156.55 55.44 Favored Pre-proline 0 N--CA 1.499 2.023 0 O-C-N 121.073 -1.017 . . . . 4.01 109.6 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -48.61 138.23 25.32 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 121.754 1.636 . . . . 2.6 111.988 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.51 0.76 74.67 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.661 -1.376 . . . . 3.27 109.661 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.6 t . . . . . 0 N--CA 1.497 1.899 0 O-C-N 121.509 -0.995 . . . . 5.54 109.841 -179.373 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.784 0 O4'-C1'-N19 110.509 3.386 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.496 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.675 0 O4'-C1'-N19 110.617 3.521 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.496 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.772 0 O4'-C1'-N19 110.874 3.843 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.308 0 O4'-C1'-N19 110.787 3.733 . . . . 0.4 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.483 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.532 2.61 1 O4'-C1'-N19 112.082 5.352 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.546 ' N2 ' ' C2 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.782 0 C3'-C2'-C1' 107.034 3.096 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.546 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.979 0 O4'-C1'-N19 110.512 3.39 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.437 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.847 1 O4'-C1'-N19 111.806 5.008 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.69 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.304 0 C3'-C2'-C1' 106.841 2.958 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.69 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.267 0 O4'-C1'-N19 110.433 3.291 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.521 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.969 0 O4'-C1'-N19 110.949 3.937 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 1 O4'-C1'-N19 111.047 4.059 . . . . 0.95 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.578 0 O4'-C1'-N19 110.412 3.265 . . . . 1.14 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.553 H2'' " O5'" ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.901 0 C3'-C2'-C1' 106.938 3.027 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.553 " O5'" H2'' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.714 0 C3'-C2'-C1' 106.702 2.859 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.494 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.12 0 O4'-C1'-N19 110.612 3.515 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.494 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.037 1 O4'-C1'-N19 111.044 4.055 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.199 1 O4'-C1'-N19 111.336 4.42 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.521 3.401 . . . . 0.64 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.451 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.043 0 O4'-C1'-N19 110.911 3.889 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.458 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.566 0 O4'-C1'-N19 110.459 3.323 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . 0.458 " O5'" H2'' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.556 0 O4'-C1'-N19 110.834 3.793 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo . . . . . 0 N--CA 1.495 1.604 0 CA-C-O 121.043 0.351 . . . . 8.38 111.991 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -151.86 -2.35 0.29 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.308 -0.87 . . . . 7.76 109.22 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.7 108.33 4.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.115 -0.99 . . . . 4.56 109.216 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -80.35 -130.0 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.758 -0.83 . . . . 4.79 108.758 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.401 ' NH1' ' HG2' ' A' ' 14' ' ' ARG . 7.7 mtt-85 -83.5 94.25 7.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.902 . . . . 0.85 108.789 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.86 133.24 36.27 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.553 -0.717 . . . . 1.46 110.735 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -90.44 3.36 54.07 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 109.01 -0.737 . . . . 2.61 109.01 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.578 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 14.2 m-70 -74.71 -30.79 1.08 Allowed Pre-proline 0 N--CA 1.498 1.951 0 O-C-N 121.172 -0.955 . . . . 3.96 113.419 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 63.5 Cg_exo -54.0 144.84 55.2 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 121.493 1.462 . . . . 1.14 112.402 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.99 171.37 18.09 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.46 2.107 . . . . 1.52 112.326 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.18 27.7 65.66 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 110.194 -1.162 . . . . 1.41 110.194 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.8 t -89.72 90.93 8.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.184 -1.186 . . . . 1.49 108.663 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -78.93 140.79 37.99 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.036 -1.04 . . . . 2.59 109.419 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -106.26 74.03 0.32 Allowed Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.711 -0.618 . . . . 2.78 109.715 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.42 148.4 87.99 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 121.675 1.583 . . . . 1.04 111.015 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 25' ' ' ARG . 41.9 mtt-85 -71.08 -6.36 38.58 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.655 -1.278 . . . . 4.24 110.522 -178.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 m -74.01 -0.75 17.32 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.028 -1.045 . . . . 1.34 109.691 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.437 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 30.0 mmt180 -102.78 -29.1 11.69 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.095 -1.003 . . . . 1.23 110.841 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 p -105.63 -39.69 6.0 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.071 -1.018 . . . . 1.1 110.347 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -64.14 -28.75 69.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.006 -1.059 . . . . 3.48 109.746 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.487 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 48.3 m -59.02 -30.0 67.68 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.322 -0.861 . . . . 1.04 109.582 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -95.95 142.67 27.91 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.299 -1.0 . . . . 1.3 108.299 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.487 ' OE1' ' O ' ' A' ' 30' ' ' SER . 3.7 mp0 -113.25 150.52 43.17 Favored Pre-proline 0 N--CA 1.501 2.077 0 N-CA-C 108.935 -0.765 . . . . 2.67 108.935 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -39.79 154.39 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.16 0 C-N-CA 121.89 1.727 . . . . 0.74 112.081 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.93 132.85 21.27 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.146 -0.972 . . . . 1.08 110.649 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.5 m -112.7 159.78 18.58 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.98 -0.748 . . . . 1.17 108.98 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' TYR . 7.5 t -106.6 103.09 44.94 Favored Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.242 -0.911 . . . . 0.42 110.448 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -54.49 -4.09 0.29 Allowed 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.057 1.838 . . . . 1.16 113.551 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.408 HG22 HD11 ' A' ' 38' ' ' ILE . 62.4 mt -97.43 -53.66 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 120.755 -1.215 . . . . 1.19 110.251 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.5 p -118.27 12.11 13.34 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-O 121.833 0.825 . . . . 0.5 108.848 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' CYS . 80.3 m-85 55.31 19.17 2.86 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 116.122 -0.49 . . . . 1.1 110.725 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.49 140.28 54.26 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.799 -1.188 . . . . 1.08 107.901 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -95.19 114.54 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.199 -0.938 . . . . 1.14 109.65 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 34' ' ' ALA . 30.1 mm -110.93 129.05 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 107.002 -1.481 . . . . 1.07 107.002 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -74.13 -62.96 1.33 Allowed 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 117.931 -1.507 . . . . 2.82 109.652 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.483 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 88.8 mt-30 -76.25 138.33 40.51 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.276 -0.89 . . . . 1.62 110.915 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.6 p -68.1 -35.13 77.65 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.406 -0.809 . . . . 0.93 110.57 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 12.6 ptp180 -58.95 -39.75 82.61 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.817 -1.177 . . . . 1.04 108.179 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 97.9 m-20 -64.77 -31.37 72.57 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.609 -0.682 . . . . 0.34 109.332 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.35 -43.04 88.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 1.13 108.927 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -59.41 -40.69 87.48 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.295 -1.002 . . . . 3.75 108.295 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -67.42 -36.4 81.17 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.964 -0.694 . . . . 0.51 109.479 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -65.7 -38.72 89.99 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.564 -0.71 . . . . 0.37 109.833 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' PHE . 94.0 mt -59.67 -41.67 91.14 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.002 -1.061 . . . . 1.12 109.376 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 70.1 mm-40 -73.27 -24.72 60.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.408 -0.807 . . . . 2.08 111.715 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.3 mt -85.69 -42.92 13.85 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.431 -1.418 . . . . 1.17 113.093 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.563 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.7 mmm180 -107.15 -0.29 22.88 Favored 'General case' 0 N--CA 1.506 2.351 0 O-C-N 120.858 -1.152 . . . . 2.91 112.725 -176.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 32.6 m-70 -145.64 -65.73 0.31 Allowed 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.536 -1.352 . . . . 0.67 111.532 -178.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.449 ' C ' ' H ' ' A' ' 60' ' ' LYS . 54.0 m-85 -81.97 20.08 1.04 Allowed 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.004 -1.06 . . . . 1.04 110.24 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -70.96 2.39 4.43 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 107.929 -1.137 . . . . 1.2 107.929 178.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 58' ' ' PHE . 8.8 mtpm? -88.88 154.71 50.13 Favored Pre-proline 0 N--CA 1.488 1.455 0 N-CA-C 108.777 -0.823 . . . . 4.01 108.777 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -46.36 155.35 0.71 Allowed 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.931 1.754 . . . . 2.6 112.263 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -45.92 117.12 2.44 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 110.79 -0.924 . . . . 3.27 110.79 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.425 -1.044 . . . . 5.54 109.867 179.858 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.442 0 O4'-C1'-N19 110.528 3.41 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.629 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.775 0 O4'-C1'-N19 110.6 3.5 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.629 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.825 0 O4'-C1'-N19 110.772 3.716 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.04 0 O4'-C1'-N19 110.966 3.958 . . . . 0.4 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 1 O4'-C1'-N19 111.395 4.494 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 O4'-C1'-N19 110.346 3.183 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.52 ' OP1' ' N ' ' A' ' 22' ' ' GLU . . . . . . . . 0 C5'--C4' 1.531 2.491 0 O4'-C1'-N19 110.852 3.815 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.477 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.447 1 O4'-C1'-N19 111.541 4.677 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.473 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.079 0 O4'-C1'-N19 110.772 3.716 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.473 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.259 0 O4'-C1'-N19 110.561 3.452 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.484 1 O4'-C1'-N19 111.14 4.175 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.319 1 O4'-C1'-N19 111.033 4.041 . . . . 0.95 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.421 ' H73' ' OP2' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.283 0 C3'-C2'-C1' 107.086 3.133 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.537 ' C5 ' ' C4 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.96 3.95 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.537 ' C4 ' ' C5 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.066 0 O4'-C1'-N19 110.636 3.545 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.582 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.657 0 O4'-C1'-N19 110.615 3.519 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.582 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.715 1 O4'-C1'-N19 111.14 4.176 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.426 1 O4'-C1'-N19 111.06 4.075 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O4'-C1'-N19 110.775 3.719 . . . . 0.64 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.597 1 O4'-C1'-N19 111.069 4.087 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.259 1 O4'-C1'-N19 111.171 4.213 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.763 0 C3'-C2'-C1' 106.997 3.069 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo . . . . . 0 N--CA 1.492 1.396 0 CA-C-O 120.92 0.3 . . . . 8.38 111.657 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -79.69 158.16 27.03 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.71 -1.244 . . . . 7.76 109.264 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.49 4.93 0.11 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.311 -0.868 . . . . 4.56 108.853 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -81.54 155.91 25.51 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.556 -0.715 . . . . 4.79 109.483 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -80.14 96.48 6.54 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.214 -0.929 . . . . 0.85 108.758 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.2 132.69 37.12 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.652 -0.655 . . . . 1.46 110.102 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -95.12 9.21 40.46 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.333 -0.855 . . . . 2.61 108.925 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.6 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 14.0 m-70 -84.03 -31.8 0.49 Allowed Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.479 -0.763 . . . . 3.96 112.886 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 61.4 Cg_exo -52.31 139.24 54.85 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 121.695 1.596 . . . . 1.14 112.177 -178.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.79 177.95 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.11 1.207 . . . . 1.52 111.54 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.98 26.09 69.79 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 120.178 -1.011 . . . . 1.41 110.976 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.494 ' O ' ' CG2' ' A' ' 21' ' ' THR . 14.6 t -90.93 97.53 11.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.76 -1.435 . . . . 1.49 109.218 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.52 ' N ' ' OP1' ' B' ' 107' ' ' ' DA' . 72.6 mm-40 -82.25 149.7 27.7 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.277 -0.89 . . . . 2.59 109.964 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -107.07 76.03 0.45 Allowed Pre-proline 0 N--CA 1.505 2.275 0 O-C-N 121.354 -0.841 . . . . 2.78 110.025 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -74.38 134.84 19.49 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.879 1.72 . . . . 1.04 112.726 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -74.92 -14.41 60.64 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.394 -0.816 . . . . 4.24 109.325 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.7 m -71.78 -11.65 60.92 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.885 -1.134 . . . . 1.34 110.889 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.477 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 1.1 mmt-85 -95.64 -13.57 24.2 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.808 -1.183 . . . . 1.23 111.493 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 p -108.96 -43.46 4.2 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.034 -1.041 . . . . 1.1 109.112 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -62.3 -36.56 82.51 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 121.21 0.529 . . . . 3.48 110.904 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.449 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 52.4 m -52.58 -31.86 38.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.348 -0.845 . . . . 1.04 110.301 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -95.74 142.18 28.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.227 -0.921 . . . . 1.3 109.183 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.559 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 3.7 mp0 -115.2 152.82 47.16 Favored Pre-proline 0 N--CA 1.502 2.164 0 N-CA-C 108.627 -0.879 . . . . 2.67 108.627 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -40.12 154.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.149 0 C-N-CA 121.737 1.624 . . . . 0.74 112.135 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -148.18 140.18 24.01 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.152 -0.967 . . . . 1.08 110.796 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 36' ' ' CYS . 88.2 m -116.24 164.72 14.08 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.317 -0.623 . . . . 1.17 109.317 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' TYR . 1.8 t -106.1 103.67 46.04 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.534 -0.729 . . . . 0.42 109.238 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -54.1 -4.59 0.28 Allowed 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.959 1.773 . . . . 1.16 113.258 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.1 mt -97.07 -55.27 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 120.794 -1.191 . . . . 1.19 110.254 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.7 p -117.36 12.45 14.27 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.224 -0.922 . . . . 0.5 108.74 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 36' ' ' CYS . 95.9 m-85 55.9 22.25 5.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.858 -0.526 . . . . 1.1 111.265 178.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.58 141.6 54.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.459 -1.4 . . . . 1.08 107.397 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.59 109.52 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.038 -1.039 . . . . 1.14 109.68 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 34' ' ' ALA . 28.2 mm -109.94 130.17 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 N-CA-C 108.095 -1.076 . . . . 1.07 108.095 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.4 HH11 ' HG2' ' A' ' 44' ' ' ARG . 20.3 mtt-85 -73.39 -63.51 1.18 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.875 -1.14 . . . . 2.82 111.389 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -78.39 133.51 37.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.98 -1.075 . . . . 1.62 109.7 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.7 p -63.35 -31.12 72.19 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.357 -0.84 . . . . 0.93 110.319 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.7 ptp180 -60.88 -41.61 96.34 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.92 -1.113 . . . . 1.04 108.658 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.454 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 96.4 m-20 -65.45 -30.07 70.82 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.595 -0.691 . . . . 0.34 109.564 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.0 tp -57.76 -47.18 83.24 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 119.06 -1.056 . . . . 1.13 108.792 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -56.34 -42.24 77.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.888 -1.132 . . . . 3.75 108.091 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -62.96 -39.03 93.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.506 -0.746 . . . . 0.51 109.078 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -61.81 -38.37 87.88 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.342 -0.849 . . . . 0.37 109.71 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' PHE . 90.3 mt -59.64 -42.19 92.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.04 -1.038 . . . . 1.12 109.445 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -72.04 -29.37 64.1 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.32 -0.863 . . . . 2.08 111.534 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.0 mt -87.63 -14.75 39.19 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.754 -1.216 . . . . 1.17 112.103 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.575 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 24.0 mmm180 -134.59 -1.59 2.79 Favored 'General case' 0 N--CA 1.507 2.424 0 O-C-N 120.591 -1.318 . . . . 2.91 112.373 -178.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 44.7 m-70 -148.18 -60.06 0.25 Allowed 'General case' 0 N--CA 1.507 2.387 0 O-C-N 120.326 -1.484 . . . . 0.67 110.488 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 53' ' ' LEU . 30.4 m-85 -80.11 18.08 0.91 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.656 -1.277 . . . . 1.04 108.957 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.419 ' H ' ' C ' ' A' ' 57' ' ' HIS . . . -71.02 3.73 3.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.595 -0.691 . . . . 1.2 110.35 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -85.72 146.33 43.58 Favored Pre-proline 0 N--CA 1.495 1.808 0 O-C-N 120.988 -1.07 . . . . 4.01 109.649 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.61 163.88 35.2 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.374 2.049 . . . . 2.6 112.475 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.24 -80.72 0.06 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.82 -1.312 . . . . 3.27 109.82 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 117.89 -1.053 . . . . 5.54 109.473 -179.646 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.823 0 C3'-C2'-C1' 106.982 3.059 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.621 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.937 0 C3'-C2'-C1' 106.988 3.063 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.621 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.426 0 O4'-C1'-N19 110.775 3.718 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.575 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.344 0 O4'-C1'-N19 110.803 3.753 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.441 ' C2 ' ' C2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.259 1 O4'-C1'-N19 111.747 4.934 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.408 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.504 3.38 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.408 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.084 0 O4'-C1'-N19 110.528 3.41 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.432 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.321 1 O4'-C1'-N19 111.139 4.174 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.585 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.645 0 C3'-C2'-C1' 107.173 3.195 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.585 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.376 0 O4'-C1'-N19 110.554 3.442 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.532 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.901 1 O4'-C1'-N19 111.373 4.467 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.315 1 O4'-C1'-N19 111.032 4.04 . . . . 0.95 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.434 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.449 0 C3'-C2'-C1' 106.931 3.022 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.434 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.132 1 O4'-C1'-N19 111.238 4.297 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.563 0 O4'-C1'-N19 110.39 3.237 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.473 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.941 0 O4'-C1'-N19 110.633 3.542 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.53 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.621 1 O4'-C1'-N19 111.177 4.221 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.53 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.399 1 O4'-C1'-N19 111.9 5.125 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.4 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.112 1 O4'-C1'-N19 111.297 4.371 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.688 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.937 1 O4'-C1'-N19 111.274 4.342 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.688 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.8 0 O4'-C1'-N19 110.934 3.917 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.732 0 O4'-C1'-N19 110.653 3.567 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo . . . . . 0 N--CA 1.487 1.139 0 CA-C-O 121.229 0.429 . . . . 8.38 111.919 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.09 150.21 26.43 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.142 -0.974 . . . . 7.76 109.392 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.88 150.76 46.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.926 -1.109 . . . . 4.56 108.667 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -86.51 -73.99 0.44 Allowed 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.957 -1.127 . . . . 4.79 107.957 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -91.88 93.39 8.8 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 121.746 0.784 . . . . 0.85 108.99 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.36 132.11 37.01 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.709 0.766 . . . . 1.46 110.485 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -95.51 3.96 53.67 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.516 -0.74 . . . . 2.61 109.422 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.618 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 28.9 m170 -81.35 -30.58 0.55 Allowed Pre-proline 0 N--CA 1.496 1.845 0 O-C-N 121.087 -1.008 . . . . 3.96 112.811 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 71.8 Cg_exo -49.93 149.67 10.97 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 121.827 1.684 . . . . 1.14 112.308 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.22 166.84 28.88 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.105 1.87 . . . . 1.52 112.566 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.22 23.61 68.06 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 110.274 -1.13 . . . . 1.41 110.274 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 21' ' ' THR . 12.2 t -89.36 94.12 9.78 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.786 -1.42 . . . . 1.49 108.71 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -78.42 142.35 37.63 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.03 -1.044 . . . . 2.59 108.892 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -104.44 71.03 0.18 Allowed Pre-proline 0 N--CA 1.499 1.991 0 O-C-N 121.462 -0.774 . . . . 2.78 109.66 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.05 136.36 56.06 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.46 1.44 . . . . 1.04 111.038 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -69.26 -10.94 60.17 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.032 -0.729 . . . . 4.24 109.032 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.2 m -69.0 -6.25 26.67 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.288 -0.882 . . . . 1.34 109.599 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 31.8 mmt-85 -98.98 -21.51 16.21 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.181 -0.949 . . . . 1.23 110.508 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.2 p -108.62 -32.69 7.27 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.039 -1.038 . . . . 1.1 109.537 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.27 -37.72 81.33 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.255 -0.903 . . . . 3.48 109.506 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.5 m -54.08 -33.28 57.13 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.504 -0.878 . . . . 1.04 109.64 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.404 ' HG3' HH21 ' A' ' 47' ' ' ARG . 74.9 mm-40 -96.53 137.57 35.41 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.775 -1.203 . . . . 1.3 110.059 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -115.6 152.54 47.32 Favored Pre-proline 0 N--CA 1.495 1.781 0 N-CA-C 108.987 -0.746 . . . . 2.67 108.987 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -34.64 152.72 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.32 0 C-N-CA 122.552 2.168 . . . . 0.74 112.66 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -145.98 132.39 19.66 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.125 -0.984 . . . . 1.08 110.065 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.8 m -115.61 144.58 43.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.488 -0.758 . . . . 1.17 109.828 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.1 t -85.14 126.36 67.76 Favored Pre-proline 0 C--N 1.299 -1.611 0 N-CA-C 108.159 -1.052 . . . . 0.42 108.159 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.23 -1.34 11.52 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 120.814 1.009 . . . . 1.16 112.59 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.3 mt -99.87 -40.42 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.187 -0.946 . . . . 1.19 110.385 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.7 p -132.28 20.98 4.4 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.316 -0.865 . . . . 0.5 109.796 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 48.43 20.97 0.34 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.601 -0.687 . . . . 1.1 111.372 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.4 139.94 58.11 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.612 -1.625 . . . . 1.08 106.612 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.74 114.32 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.805 -1.184 . . . . 1.14 110.143 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' ALA . 36.1 mm -109.63 127.46 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.594 -1.261 . . . . 1.07 107.594 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -72.56 -59.66 2.61 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.179 -1.008 . . . . 2.82 109.62 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -79.56 137.57 37.2 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.138 -1.025 . . . . 1.62 110.267 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 p -66.28 -39.24 89.27 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.458 0.647 . . . . 0.93 109.683 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.417 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 10.1 ptp180 -54.94 -39.85 69.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.858 -1.151 . . . . 1.04 109.678 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.5 m-20 -67.53 -29.7 69.17 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.225 -0.922 . . . . 0.34 109.219 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.8 tp -57.4 -44.0 84.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.31 -0.869 . . . . 1.13 108.902 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -59.98 -39.43 85.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.101 -0.999 . . . . 3.75 108.57 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 44.0 ttp180 -69.48 -36.54 76.62 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.485 -0.759 . . . . 0.51 109.571 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -59.95 -39.66 86.34 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.932 . . . . 0.37 109.16 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.98 -39.87 96.02 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.991 -1.068 . . . . 1.12 110.329 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 76.9 mm-40 -74.48 -26.95 60.34 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.548 -0.72 . . . . 2.08 112.042 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.9 mt -95.51 -36.86 11.13 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.967 -1.083 . . . . 1.17 112.157 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' HG3' HH11 ' A' ' 56' ' ' ARG . 17.6 mmm-85 -105.47 8.29 33.42 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.78 -1.2 . . . . 2.91 113.02 -177.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -150.87 -69.26 0.18 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.116 -1.615 . . . . 0.67 110.722 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -80.22 12.09 3.11 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.591 -0.693 . . . . 1.04 109.791 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -73.78 -5.93 43.83 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 119.682 -0.807 . . . . 1.2 109.563 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -90.78 148.78 39.12 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 121.083 -1.011 . . . . 4.01 109.399 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.437 ' O ' ' O ' ' A' ' 62' ' ' GLY . 73.0 Cg_endo -73.71 166.74 28.98 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.181 1.921 . . . . 2.6 112.201 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 61' ' ' PRO . . . -61.67 -124.91 0.01 OUTLIER Glycine 0 N--CA 1.485 1.925 0 N-CA-C 109.754 -1.338 . . . . 3.27 109.754 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 117.734 -1.127 . . . . 5.54 108.645 -179.849 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.592 0 O4'-C1'-N19 110.688 3.61 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.605 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.337 3.172 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.605 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.268 0 O4'-C1'-N19 110.957 3.947 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 0 O4'-C1'-N19 110.574 3.467 . . . . 0.4 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.42 ' C8 ' ' NE2' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.538 3.329 1 O4'-C1'-N19 111.199 4.248 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.2 0 O4'-C1'-N19 110.204 3.005 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.491 ' N3 ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.216 0 O4'-C1'-N19 110.698 3.622 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.486 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.989 1 O4'-C1'-N19 111.072 4.09 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.497 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.794 3.742 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.565 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.428 0 C3'-C2'-C1' 106.987 3.062 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.565 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.73 0 O4'-C1'-N19 110.599 3.499 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.189 0 O4'-C1'-N19 110.432 3.29 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.488 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.621 0 O4'-C1'-N19 110.402 3.253 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.488 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.769 3.711 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.707 0 O4'-C1'-N19 110.43 3.287 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.923 0 O4'-C1'-N19 110.298 3.123 . . . . 1.1 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.517 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.353 0 O4'-C1'-N19 110.975 3.969 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.517 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.175 1 O4'-C1'-N19 111.11 4.138 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.396 1 O4'-C1'-N19 111.5 4.625 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.524 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.401 1 O4'-C1'-N19 111.255 4.318 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.524 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.598 0 O4'-C1'-N19 110.784 3.729 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.09 0 C3'-C2'-C1' 107.108 3.149 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo . . . . . 0 N--CA 1.493 1.444 0 CA-C-O 121.066 0.361 . . . . 8.38 112.551 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -77.4 139.78 39.77 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.166 -0.959 . . . . 7.76 110.173 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.07 174.08 5.83 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.323 -0.861 . . . . 4.56 110.492 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -140.93 154.53 46.13 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.437 -0.949 . . . . 4.79 108.437 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.491 ' NH2' ' N3 ' ' B' ' 107' ' ' ' DA' . 28.9 mtp180 -88.19 93.47 9.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.083 -1.011 . . . . 0.85 109.748 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.32 118.81 35.81 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.389 -0.82 . . . . 1.46 110.386 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -89.66 8.93 29.01 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.409 -0.959 . . . . 2.61 108.409 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 34.8 m80 -79.76 -47.99 1.43 Allowed Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.597 -0.69 . . . . 3.96 112.563 -178.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 17' ' ' HIS . 13.2 Cg_endo -55.79 151.69 39.0 Favored 'Trans proline' 0 N--CA 1.488 1.173 0 CA-C-N 120.441 1.193 . . . . 1.14 111.783 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.76 -178.53 0.74 Allowed 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.489 2.126 . . . . 1.52 112.213 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.22 20.01 68.14 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 120.565 -0.826 . . . . 1.41 111.298 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.96 93.55 8.42 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.914 -1.345 . . . . 1.49 109.269 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -78.08 147.0 34.9 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.517 -0.74 . . . . 2.59 109.359 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -106.9 74.04 0.36 Allowed Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.428 -0.795 . . . . 2.78 109.942 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.03 135.82 30.76 Favored 'Trans proline' 0 N--CA 1.488 1.19 0 C-N-CA 121.083 1.189 . . . . 1.04 109.785 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -69.49 -12.65 61.83 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.288 -0.882 . . . . 4.24 109.903 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.5 m -68.41 -4.9 16.33 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.386 -0.821 . . . . 1.34 109.839 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.486 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 5.4 mmt-85 -101.52 -25.71 13.81 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.162 -0.961 . . . . 1.23 110.327 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 p -108.17 -41.54 4.88 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.415 -0.803 . . . . 1.1 109.587 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.98 -30.31 69.03 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.58 -0.7 . . . . 3.48 109.676 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.6 m -61.22 -28.57 69.25 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.265 -0.897 . . . . 1.04 109.5 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -93.38 138.79 31.37 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.174 -0.954 . . . . 1.3 109.658 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -113.81 150.31 43.2 Favored Pre-proline 0 N--CA 1.5 2.047 0 N-CA-C 108.131 -1.063 . . . . 2.67 108.131 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -38.3 156.31 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.351 2.034 . . . . 0.74 113.153 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -147.58 131.08 16.72 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.284 -0.885 . . . . 1.08 110.257 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.4 m -110.81 164.53 12.68 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.319 -0.863 . . . . 1.17 109.75 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.455 ' C ' ' H ' ' A' ' 38' ' ' ILE . 4.1 t -106.02 101.58 34.65 Favored Pre-proline 0 N--CA 1.499 1.994 0 N-CA-C 109.178 -0.675 . . . . 0.42 109.178 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -56.3 0.46 0.17 Allowed 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.599 1.533 . . . . 1.16 112.471 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.455 ' H ' ' C ' ' A' ' 36' ' ' CYS . 5.9 mt -97.72 -61.63 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 120.87 -1.143 . . . . 1.19 109.926 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.9 p -113.11 13.59 19.36 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.461 -0.774 . . . . 0.5 109.116 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 56.86 21.09 5.74 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.881 -0.512 . . . . 1.1 110.885 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.06 137.06 58.18 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.07 -1.455 . . . . 1.08 107.07 178.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -95.54 114.89 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.17 -0.956 . . . . 1.14 110.193 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' ALA . 38.3 mm -113.88 128.49 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 N-CA-C 108.287 -1.005 . . . . 1.07 108.287 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -70.67 -56.91 5.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.853 -1.155 . . . . 2.82 110.883 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.552 ' NE2' ' ND2' ' A' ' 48' ' ' ASN . 37.2 mt-30 -82.49 133.89 35.2 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.052 -1.03 . . . . 1.62 111.074 -177.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.3 p -63.35 -37.33 86.85 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.364 -0.835 . . . . 0.93 110.016 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.449 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.0 ptp180 -59.74 -41.94 92.08 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.971 -1.081 . . . . 1.04 108.296 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.552 ' ND2' ' NE2' ' A' ' 45' ' ' GLN . 98.5 m-20 -63.0 -32.09 73.37 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.576 -0.703 . . . . 0.34 109.577 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.6 tp -56.58 -45.46 81.33 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.545 -1.347 . . . . 1.13 109.149 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -58.21 -40.88 82.77 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 118.924 -1.11 . . . . 3.75 108.103 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -60.98 -39.59 90.2 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.744 -0.836 . . . . 0.51 108.744 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -62.61 -36.28 82.26 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.271 -0.893 . . . . 0.37 110.13 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.89 -43.47 98.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.8 -1.188 . . . . 1.12 109.22 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 76.3 mt-10 -75.84 -19.01 59.24 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.05 -1.031 . . . . 2.08 111.824 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.0 mt -91.31 -47.25 7.59 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.375 -1.453 . . . . 1.17 112.11 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' HG3' HH11 ' A' ' 56' ' ' ARG . 21.4 mmm-85 -107.03 15.81 24.89 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.935 -1.103 . . . . 2.91 112.514 -176.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.41 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 97.7 m-70 -150.76 -71.84 0.17 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.257 -1.527 . . . . 0.67 110.867 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.542 ' C ' ' H ' ' A' ' 60' ' ' LYS . 85.8 m-85 -81.84 12.62 3.85 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.097 -1.002 . . . . 1.04 109.278 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -68.98 16.76 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.498 -0.751 . . . . 1.2 110.158 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 58' ' ' PHE . 42.7 mtmt -85.04 147.34 47.69 Favored Pre-proline 0 C--N 1.299 -1.602 0 O-C-N 121.035 -1.041 . . . . 4.01 108.879 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.08 146.33 81.71 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 122.3 2.0 . . . . 2.6 112.32 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -147.33 -72.1 0.01 OUTLIER Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.399 -1.48 . . . . 3.27 109.399 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.499 2.015 0 O-C-N 121.3 -1.118 . . . . 5.54 108.728 179.712 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.605 0 C3'-C2'-C1' 107.215 3.225 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.598 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.027 0 C3'-C2'-C1' 107.005 3.075 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.549 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.117 0 O4'-C1'-N19 110.353 3.191 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.549 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.916 0 O4'-C1'-N19 110.639 3.548 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.544 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.703 0 O4'-C1'-N19 110.736 3.669 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.544 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.128 0 O4'-C1'-N19 110.574 3.467 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.533 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.703 0 O4'-C1'-N19 110.981 3.976 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.585 3.481 . . . . 0.67 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.965 0 O4'-C1'-N19 110.207 3.008 . . . . 1.25 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.509 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.413 0 O4'-C1'-N19 110.328 3.16 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.509 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.857 0 O4'-C1'-N19 110.85 3.812 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 111.038 4.048 . . . . 0.95 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.452 ' H71' ' OP2' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.334 0 C3'-C2'-C1' 106.871 2.979 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.529 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.944 0 O4'-C1'-N19 110.814 3.767 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.529 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.888 0 C3'-C2'-C1' 106.853 2.967 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.639 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.498 0 C3'-C2'-C1' 106.984 3.06 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.639 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.204 4.255 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.569 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.882 1 O4'-C1'-N19 111.875 5.093 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.441 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.006 1 O4'-C1'-N19 111.153 4.191 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.441 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.486 1 O4'-C1'-N19 111.171 4.214 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.242 0 O4'-C1'-N19 110.381 3.226 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.262 3.078 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo . . . . . 0 N--CA 1.491 1.359 0 CA-C-O 120.95 0.312 . . . . 8.38 112.362 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -85.71 116.73 24.16 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.861 -1.149 . . . . 7.76 109.518 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.75 7.81 0.1 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.792 -1.192 . . . . 4.56 110.451 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -82.6 138.55 34.18 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.102 -0.999 . . . . 4.79 110.032 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -88.14 104.38 16.64 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.216 -0.928 . . . . 0.85 109.593 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.48 119.14 32.2 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.24 -0.913 . . . . 1.46 109.92 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -96.61 4.38 51.98 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.355 -0.84 . . . . 2.61 109.776 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.619 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 19.2 t-80 -78.7 -33.2 0.88 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.26 -0.9 . . . . 3.96 111.888 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.6 Cg_exo -51.69 155.45 7.81 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.705 1.603 . . . . 1.14 111.924 -178.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.21 178.55 3.53 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.579 2.186 . . . . 1.52 112.123 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.2 19.64 78.22 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 110.773 -0.931 . . . . 1.41 110.773 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.72 ' HG1' ' HZ3' ' A' ' 23' ' ' LYS . 3.3 t -91.22 95.73 10.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.935 -1.333 . . . . 1.49 108.849 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -76.68 151.65 36.05 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 109.047 -0.723 . . . . 2.59 109.047 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.72 ' HZ3' ' HG1' ' A' ' 21' ' ' THR . 1.2 mmpp? -107.24 71.05 0.29 Allowed Pre-proline 0 N--CA 1.5 2.063 0 O-C-N 121.3 -0.875 . . . . 2.78 111.545 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -61.18 143.84 98.76 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.374 1.383 . . . . 1.04 111.589 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -68.11 -25.09 65.14 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.609 -0.682 . . . . 4.24 111.657 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 m -67.18 1.61 2.0 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.947 -1.095 . . . . 1.34 111.638 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -94.02 -65.15 1.01 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.591 -1.318 . . . . 1.23 112.078 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.7 p -86.75 -30.99 21.19 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.048 -1.033 . . . . 1.1 111.223 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -59.95 -39.78 86.75 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.836 -1.165 . . . . 3.48 110.076 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 49.7 m -60.65 -28.46 68.6 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.18 -0.95 . . . . 1.04 109.824 -179.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.557 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 80.1 mm-40 -84.58 139.11 32.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.412 -0.805 . . . . 1.3 110.741 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.532 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 25.7 mp0 -115.2 150.67 44.77 Favored Pre-proline 0 N--CA 1.501 2.097 0 N-CA-C 108.439 -0.948 . . . . 2.67 108.439 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.41 153.33 7.51 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.496 1.464 . . . . 0.74 111.373 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.97 137.27 26.01 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.024 -1.048 . . . . 1.08 110.796 -178.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -115.85 152.12 33.96 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.526 -0.734 . . . . 1.17 110.281 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -87.75 129.71 49.63 Favored Pre-proline 0 N--CA 1.495 1.807 0 O-C-N 121.523 -0.736 . . . . 0.42 109.149 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.58 -7.39 18.6 Favored 'Trans proline' 0 N--CA 1.49 1.305 0 C-N-CA 121.558 1.505 . . . . 1.16 111.985 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.1 mt -97.95 -59.8 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.269 -0.894 . . . . 1.19 111.135 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.0 p -111.62 19.48 18.06 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 121.274 -0.891 . . . . 0.5 110.424 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 51.14 20.17 0.83 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.194 -0.941 . . . . 1.1 111.286 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.81 141.17 49.83 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.389 -1.337 . . . . 1.08 107.389 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.4 t -95.27 115.17 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.985 -1.072 . . . . 1.14 109.819 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' ALA . 45.9 mm -111.71 128.03 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 107.351 -1.352 . . . . 1.07 107.351 178.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -73.64 -57.18 4.17 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.796 -1.19 . . . . 2.82 110.659 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.536 ' NE2' ' C8 ' ' B' ' 105' ' ' ' DA' . 96.3 mt-30 -79.43 136.55 36.97 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.975 -1.078 . . . . 1.62 110.374 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.3 p -66.58 -36.81 83.54 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.884 -1.135 . . . . 0.93 109.642 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.557 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -57.57 -38.36 74.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.723 -1.236 . . . . 1.04 108.984 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.37 -28.07 66.79 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.188 -0.945 . . . . 0.34 109.255 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.2 tp -55.86 -48.09 76.15 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.078 -1.014 . . . . 1.13 108.973 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -59.7 -40.48 88.05 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.025 -1.07 . . . . 3.75 108.451 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -62.15 -38.98 91.07 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.451 -0.781 . . . . 0.51 109.562 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -60.77 -37.19 81.01 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.393 -0.817 . . . . 0.37 109.655 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.05 -44.73 94.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.98 -1.075 . . . . 1.12 109.835 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 89.9 mt-10 -70.58 -27.7 64.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.237 -0.914 . . . . 2.08 111.876 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.51 -44.41 11.31 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.525 -1.359 . . . . 1.17 112.258 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 3.3 mmp_? -107.93 19.36 20.14 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.908 -1.12 . . . . 2.91 113.161 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 97.7 m-70 -152.11 -70.3 0.16 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.03 -1.669 . . . . 0.67 111.165 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -79.16 3.41 17.79 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.62 -1.3 . . . . 1.04 110.046 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -72.1 -4.85 31.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.439 -0.788 . . . . 1.2 109.211 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -89.91 148.95 40.87 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.264 -0.897 . . . . 4.01 109.015 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.59 161.34 45.65 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.873 1.715 . . . . 2.6 112.049 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.12 153.49 52.93 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.584 -1.407 . . . . 3.27 109.584 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.498 1.948 0 O-C-N 121.336 -1.096 . . . . 5.54 109.051 179.761 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.652 0 O4'-C1'-N19 110.663 3.578 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.416 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.382 0 O4'-C1'-N19 110.562 3.452 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.416 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.072 0 O4'-C1'-N19 110.459 3.323 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 0 O4'-C1'-N19 110.601 3.501 . . . . 0.4 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.548 ' H2 ' ' O2 ' ' C' ' 119' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.548 4.654 1 O4'-C1'-N19 111.506 4.632 . . . . 0.41 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.494 ' OP1' ' NZ ' ' A' ' 23' ' ' LYS . . . . . . . . 0 C5'--C4' 1.532 2.593 1 O4'-C1'-N19 111.289 4.362 . . . . 0.58 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.475 H2'' " O5'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.409 3.261 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.539 ' N7 ' ' NH2' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.559 0 O4'-C1'-N19 110.885 3.856 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.534 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.568 0 O4'-C1'-N19 110.574 3.467 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.534 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.776 0 O4'-C1'-N19 110.478 3.348 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.509 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.528 1 O4'-C1'-N19 111.089 4.112 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.617 1 O4'-C1'-N19 111.473 4.592 . . . . 0.95 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.563 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.592 0 O4'-C1'-N19 110.706 3.633 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.563 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.62 0 O4'-C1'-N19 110.607 3.509 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.465 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.361 0 O4'-C1'-N19 110.312 3.14 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.468 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.027 0 O4'-C1'-N19 110.694 3.617 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.497 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.157 0 O4'-C1'-N19 110.849 3.811 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.497 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 111.61 4.763 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.548 ' O2 ' ' H2 ' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.666 1 O4'-C1'-N19 111.464 4.58 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.027 1 O4'-C1'-N19 111.229 4.287 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.537 0 O4'-C1'-N19 110.857 3.821 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.481 3.351 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 N--CA 1.494 1.509 0 CA-C-O 121.155 0.398 . . . . 8.38 111.842 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -79.52 147.83 32.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.998 -1.064 . . . . 7.76 109.786 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.08 111.16 2.41 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.373 -0.829 . . . . 4.56 109.14 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -83.38 149.43 26.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.354 -0.841 . . . . 4.79 109.713 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -83.43 105.91 14.75 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.436 -0.79 . . . . 0.85 109.228 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.74 127.58 38.29 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.367 -0.833 . . . . 1.46 110.209 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -89.35 16.01 8.18 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.429 -0.794 . . . . 2.61 109.012 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.596 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.8 t60 -79.53 -31.34 0.68 Allowed Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 113.048 0.759 . . . . 3.96 113.048 -177.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 69.4 Cg_exo -49.69 138.51 32.75 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 120.993 1.129 . . . . 1.14 111.996 -177.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.98 176.79 9.57 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.272 1.981 . . . . 1.52 112.373 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.68 26.99 68.11 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.819 -1.312 . . . . 1.41 109.819 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.87 84.78 3.39 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.298 -1.119 . . . . 1.49 110.206 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -78.15 147.71 34.43 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.934 -1.104 . . . . 2.59 109.21 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.494 ' NZ ' ' OP1' ' B' ' 106' ' ' ' DG' . 43.3 mtpt -95.11 109.21 43.33 Favored Pre-proline 0 N--CA 1.501 2.088 0 O-C-N 121.208 -0.933 . . . . 2.78 110.772 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -84.17 149.34 11.99 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.19 1.926 . . . . 1.04 110.622 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.518 HH11 ' HG2' ' A' ' 25' ' ' ARG . 12.4 mtt-85 -69.67 -26.45 64.38 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.921 -1.112 . . . . 4.24 110.563 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.8 m -68.99 -6.91 30.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.963 -1.085 . . . . 1.34 111.887 -177.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.539 ' NH2' ' N7 ' ' B' ' 108' ' ' ' DG' . 1.8 mmt-85 -99.3 -31.16 11.84 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.735 -1.228 . . . . 1.23 110.45 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 p -110.12 -38.91 5.17 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.166 -0.958 . . . . 1.1 109.817 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -60.65 -37.28 81.0 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.001 -1.062 . . . . 3.48 110.27 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.3 m -56.7 -35.68 68.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.169 -0.957 . . . . 1.04 110.937 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.555 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 46.6 mm-40 -69.15 147.8 50.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.709 -1.244 . . . . 1.3 109.797 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -126.99 152.68 75.95 Favored Pre-proline 0 N--CA 1.496 1.866 0 N-CA-C 108.044 -1.095 . . . . 2.67 108.044 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -44.52 153.56 0.36 Allowed 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 121.692 1.595 . . . . 0.74 112.861 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -145.91 133.97 21.5 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.477 -0.764 . . . . 1.08 109.566 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.2 m -113.91 156.45 23.95 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 109.238 -0.653 . . . . 1.17 109.238 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.8 t -95.06 125.39 50.79 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.35 -0.844 . . . . 0.42 109.084 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -76.27 -1.04 11.01 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 121.556 1.504 . . . . 1.16 112.436 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.2 mt -101.92 -49.75 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.238 -0.914 . . . . 1.19 110.332 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.6 p -124.52 25.45 7.59 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.366 -0.834 . . . . 0.5 109.841 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 46.5 20.14 0.09 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.345 -0.847 . . . . 1.1 112.004 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.79 140.22 56.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.617 -1.302 . . . . 1.08 107.98 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.9 t -96.22 113.38 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.977 -1.077 . . . . 1.14 109.976 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' ALA . 25.5 mm -110.92 132.14 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 107.412 -1.329 . . . . 1.07 107.412 178.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' A' ' 44' ' ' ARG . 28.0 mtt-85 -75.49 -62.64 1.5 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.494 -1.379 . . . . 2.82 110.509 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.563 ' OE1' ' NE ' ' A' ' 47' ' ' ARG . 83.6 mt-30 -78.89 140.7 38.06 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.092 -1.005 . . . . 1.62 110.994 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.9 p -66.37 -36.34 82.61 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.396 -0.815 . . . . 0.93 109.966 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.563 ' NE ' ' OE1' ' A' ' 45' ' ' GLN . 2.3 ptt-85 -59.65 -41.07 89.7 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.952 -1.092 . . . . 1.04 109.24 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -62.67 -32.05 73.05 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.16 -0.962 . . . . 0.34 110.019 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.2 tp -57.25 -42.34 81.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.031 -1.043 . . . . 1.13 108.43 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.473 HH11 ' HG2' ' A' ' 50' ' ' ARG . 17.1 ttt-85 -58.04 -40.05 79.93 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.509 -0.923 . . . . 3.75 108.509 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' CB ' ' NH1' ' A' ' 51' ' ' ARG . 12.4 ttp-105 -69.26 -36.02 76.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.221 -0.924 . . . . 0.51 108.733 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -62.77 -41.38 99.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.421 -0.799 . . . . 0.37 109.721 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.6 mt -60.07 -43.97 95.09 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.202 -0.936 . . . . 1.12 110.332 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 88.5 mt-10 -73.52 -21.65 60.33 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.333 -0.855 . . . . 2.08 113.002 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.7 mt -99.03 -37.84 9.2 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.958 -1.089 . . . . 1.17 111.678 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.489 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.8 mmm180 -103.95 14.03 31.53 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.861 -1.15 . . . . 2.91 112.292 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.5 m-70 -153.5 -76.68 0.12 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.085 -1.635 . . . . 0.67 111.12 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -76.39 8.57 3.31 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.32 -0.862 . . . . 1.04 109.348 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -68.75 -3.55 12.67 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.316 -0.994 . . . . 1.2 108.316 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -87.6 149.22 45.86 Favored Pre-proline 0 N--CA 1.491 1.605 0 N-CA-C 108.586 -0.894 . . . . 4.01 108.586 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -73.84 138.49 26.18 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.093 1.862 . . . . 2.6 111.722 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -147.19 -104.09 0.36 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.242 -1.543 . . . . 3.27 109.242 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.3 t . . . . . 0 N--CA 1.496 1.862 0 O-C-N 121.238 -1.154 . . . . 5.54 109.804 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.448 ' H8 ' " O5'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.58 0 O4'-C1'-N19 110.404 3.255 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.642 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.036 0 O4'-C1'-N19 110.861 3.826 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.642 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.172 1 O4'-C1'-N19 111.351 4.439 . . . . 0.65 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 1 O4'-C1'-N19 111.063 4.078 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 1 O4'-C1'-N19 111.419 4.524 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.519 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.881 0 O4'-C1'-N19 110.248 3.06 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.519 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.33 0 O4'-C1'-N19 110.965 3.957 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.444 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.533 1 O4'-C1'-N19 111.508 4.635 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.569 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.087 0 O4'-C1'-N19 110.679 3.599 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.569 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.126 0 C3'-C2'-C1' 106.971 3.051 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.509 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.444 1 O4'-C1'-N19 111.161 4.202 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.289 0 O4'-C1'-N19 110.478 3.348 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.545 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.864 0 O4'-C1'-N19 110.459 3.324 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.545 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.273 0 O4'-C1'-N19 110.749 3.687 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.541 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.016 0 C3'-C2'-C1' 106.667 2.833 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.606 ' H73' ' OP2' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.332 0 C3'-C2'-C1' 106.965 3.046 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.584 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.441 1.616 1 O4'-C1'-N19 111.207 4.258 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.479 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.882 3.852 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.813 1 O4'-C1'-N19 111.1 4.125 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.579 1 O4'-C1'-N19 111.173 4.216 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.333 0 O4'-C1'-N19 110.373 3.216 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.869 0 C3'-C2'-C1' 106.947 3.034 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo . . . . . 0 N--CA 1.497 1.722 0 CA-C-O 121.379 0.491 . . . . 8.38 112.335 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -82.31 -73.85 0.37 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.277 -0.89 . . . . 7.76 109.279 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.53 139.29 55.62 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.168 -0.958 . . . . 4.56 109.785 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -88.67 -99.41 0.09 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.468 -0.77 . . . . 4.79 109.775 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -91.1 110.11 21.38 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.347 -0.845 . . . . 0.85 109.658 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.23 127.3 39.99 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.145 -0.972 . . . . 1.46 111.356 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -93.44 4.23 54.29 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.088 -1.007 . . . . 2.61 109.577 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.613 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.4 m-70 -81.12 -29.18 0.51 Allowed Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 121.409 -0.807 . . . . 3.96 113.108 -178.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 74.5 Cg_exo -50.14 152.51 7.81 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 121.781 1.654 . . . . 1.14 112.878 -178.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -73.11 164.77 34.52 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.79 2.327 . . . . 1.52 112.312 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.84 18.78 78.51 Favored Glycine 0 N--CA 1.484 1.866 0 N-CA-C 110.415 -1.074 . . . . 1.41 110.415 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.7 t -95.52 83.84 3.87 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.854 -1.38 . . . . 1.49 108.517 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -76.09 157.7 32.6 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.437 -0.789 . . . . 2.59 109.413 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -105.15 70.77 0.21 Allowed Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 121.372 -0.83 . . . . 2.78 110.19 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.4 140.97 79.3 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.402 1.402 . . . . 1.04 110.721 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -77.75 -1.04 29.33 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.485 -0.759 . . . . 4.24 109.412 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -73.16 -5.66 40.65 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.019 -1.051 . . . . 1.34 109.511 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 24.5 mmt180 -99.06 -22.98 15.44 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.246 -1.02 . . . . 1.23 108.246 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.3 p -105.95 -37.62 6.6 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.633 0.73 . . . . 1.1 109.213 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -63.59 -36.25 83.19 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.158 -0.963 . . . . 3.48 108.855 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.9 m -60.28 -29.01 68.54 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.135 -1.061 . . . . 1.04 108.135 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.592 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 56.1 mm-40 -89.29 138.07 31.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.919 -0.488 . . . . 1.3 110.004 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -117.44 149.9 45.6 Favored Pre-proline 0 N--CA 1.502 2.167 0 N-CA-C 107.778 -1.193 . . . . 2.67 107.778 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -40.28 156.5 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.295 1.997 . . . . 0.74 112.183 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.92 135.86 21.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.338 -0.851 . . . . 1.08 110.244 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.2 m -116.87 146.1 43.14 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.606 -0.684 . . . . 1.17 110.373 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.8 t -85.42 132.79 43.83 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.831 -0.543 . . . . 0.42 109.615 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -79.89 -8.46 14.43 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 121.971 1.78 . . . . 1.16 113.352 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.9 mt -96.33 -42.6 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.949 -1.094 . . . . 1.19 110.496 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.6 p -127.84 19.26 6.64 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.181 -0.95 . . . . 0.5 110.771 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 49.89 17.92 0.32 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.408 -0.807 . . . . 1.1 111.328 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.55 139.98 56.69 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.553 -1.342 . . . . 1.08 107.798 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.58 113.85 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.926 -1.109 . . . . 1.14 110.53 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.0 mm -109.24 127.01 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 N-CA-C 107.329 -1.36 . . . . 1.07 107.329 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 44' ' ' ARG . 17.6 mtt-85 -68.74 -57.73 5.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.545 -1.347 . . . . 2.82 110.833 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.426 ' NE2' HH21 ' A' ' 47' ' ' ARG . 98.0 mt-30 -80.26 135.34 36.22 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.279 -0.888 . . . . 1.62 110.935 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.457 ' HG ' ' N ' ' A' ' 47' ' ' ARG . 60.4 p -66.19 -36.53 83.32 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.276 -0.89 . . . . 0.93 109.532 179.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.592 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -57.73 -35.65 70.97 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.455 -1.403 . . . . 1.04 109.625 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.423 ' ND2' ' OE1' ' A' ' 45' ' ' GLN . 94.2 m-20 -73.95 -25.52 60.0 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.066 -1.022 . . . . 0.34 108.785 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.92 -46.19 88.53 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.226 -0.99 . . . . 1.13 108.513 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -60.25 -41.68 93.71 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.181 -1.044 . . . . 3.75 108.181 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -63.95 -33.99 76.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.51 110.021 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -64.49 -36.23 83.52 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.302 -0.874 . . . . 0.37 109.59 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.01 -41.38 96.42 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.064 -1.023 . . . . 1.12 109.572 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 75.9 mt-10 -75.13 -15.03 60.62 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.681 -0.637 . . . . 2.08 111.276 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.2 mt -102.1 -42.29 6.13 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.508 -1.37 . . . . 1.17 111.084 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.509 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.0 mmm180 -105.56 11.29 32.57 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.896 -1.127 . . . . 2.91 112.61 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.509 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 90.2 m-70 -152.49 -71.05 0.15 Allowed 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.107 -1.62 . . . . 0.67 110.583 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.435 ' C ' ' H ' ' A' ' 60' ' ' LYS . 57.4 m-85 -80.19 13.63 2.25 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.0 -1.062 . . . . 1.04 109.414 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -72.58 10.44 0.83 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.36 -0.838 . . . . 1.2 109.992 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 58' ' ' PHE . 26.6 mtmm -88.93 150.34 45.29 Favored Pre-proline 0 C--N 1.299 -1.617 0 O-C-N 121.083 -1.011 . . . . 4.01 108.33 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -47.47 163.92 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 121.285 1.323 . . . . 2.6 111.42 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -176.99 -8.23 0.02 OUTLIER Glycine 0 N--CA 1.491 2.342 0 C-N-CA 119.52 -1.324 . . . . 3.27 110.021 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 37.2 t . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.203 -1.174 . . . . 5.54 109.458 -179.761 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.707 3.634 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.508 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.659 0 O4'-C1'-N19 110.626 3.532 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.508 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.336 0 O4'-C1'-N19 110.517 3.396 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.556 1 O4'-C1'-N19 111.177 4.222 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.447 ' C8 ' ' NE2' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.531 2.468 1 O4'-C1'-N19 111.02 4.026 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.492 " O4'" ' NZ ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C5'--C4' 1.534 2.85 0 C3'-C2'-C1' 106.783 2.917 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.506 H2'' " O5'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.961 1 O4'-C1'-N19 111.228 4.284 . . . . 0.73 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.506 " O5'" H2'' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.508 0 O4'-C1'-N19 110.888 3.86 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.235 0 C3'-C2'-C1' 107.143 3.174 . . . . 1.25 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 0 O4'-C1'-N19 110.784 3.729 . . . . 0.86 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.131 0 O4'-C1'-N19 110.745 3.682 . . . . 0.96 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.368 0 O4'-C1'-N19 110.862 3.827 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.532 ' OP2' ' H72' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.934 0 O4'-C1'-N19 110.261 3.076 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.414 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.147 0 O4'-C1'-N19 110.654 3.567 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C1'-N19 110.271 3.089 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.425 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.984 0 O4'-C1'-N19 110.367 3.209 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.524 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.022 1 O4'-C1'-N19 111.27 4.338 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.524 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.009 1 O4'-C1'-N19 111.648 4.81 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.427 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.722 0 O4'-C1'-N19 110.602 3.502 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.258 0 O4'-C1'-N19 110.994 3.993 . . . . 0.68 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.546 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.913 0 O4'-C1'-N19 110.695 3.619 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . 0.546 " O5'" H2'' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.448 0 O4'-C1'-N19 110.729 3.662 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo . . . . . 0 N--CA 1.492 1.405 0 CA-C-O 121.437 0.515 . . . . 8.38 112.08 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -76.3 161.24 28.91 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.999 -0.741 . . . . 7.76 108.999 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.74 22.5 0.39 Allowed 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.624 -0.88 . . . . 4.56 108.624 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -78.68 145.24 34.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.365 -0.834 . . . . 4.79 109.183 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -85.75 106.66 17.16 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.864 0.84 . . . . 0.85 109.073 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.58 109.36 21.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.467 -0.77 . . . . 1.46 109.636 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' NZ ' " O4'" ' B' ' 106' ' ' ' DG' . 0.2 OUTLIER -90.91 3.64 54.03 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.245 -0.91 . . . . 2.61 109.061 179.446 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.51 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -82.71 -44.05 0.92 Allowed Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.253 -0.904 . . . . 3.96 112.357 -177.632 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 86.5 Cg_exo -48.06 150.95 4.43 Favored 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.564 2.176 . . . . 1.14 112.528 -177.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -57.3 175.41 0.36 Allowed 'Trans proline' 0 N--CA 1.504 2.103 0 C-N-CA 122.356 2.037 . . . . 1.52 112.392 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.92 16.36 80.72 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.843 -1.303 . . . . 1.41 109.843 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.88 91.34 7.86 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.093 -1.24 . . . . 1.49 109.341 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -78.2 143.5 37.12 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.542 -0.724 . . . . 2.59 109.329 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -106.66 68.99 0.23 Allowed Pre-proline 0 N--CA 1.5 2.038 0 O-C-N 121.597 -0.689 . . . . 2.78 110.727 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.22 135.33 53.77 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.88 1.72 . . . . 1.04 111.942 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -70.14 -11.06 60.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.491 -0.756 . . . . 4.24 109.52 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.8 m -70.18 -9.36 55.49 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.449 -0.782 . . . . 1.34 110.627 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -105.12 -17.87 14.34 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.076 -1.015 . . . . 1.23 109.335 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.7 p -107.68 -41.24 5.07 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.544 -0.723 . . . . 1.1 109.812 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.466 ' NE2' ' C ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -59.96 -26.92 66.38 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.268 -0.895 . . . . 3.48 109.224 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.7 m -60.55 -28.57 68.54 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.244 -0.91 . . . . 1.04 109.093 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -94.31 145.09 24.99 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.278 -0.888 . . . . 1.3 110.124 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -114.76 152.63 46.54 Favored Pre-proline 0 N--CA 1.499 2.008 0 N-CA-C 107.887 -1.153 . . . . 2.67 107.887 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -48.45 153.09 3.44 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.39 1.393 . . . . 0.74 110.871 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -141.48 129.97 22.59 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.22 -0.925 . . . . 1.08 110.248 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.0 m -111.61 148.03 34.2 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.564 0.697 . . . . 1.17 109.998 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.1 t -85.9 130.09 51.83 Favored Pre-proline 0 N--CA 1.492 1.627 0 N-CA-C 109.091 -0.707 . . . . 0.42 109.091 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.06 -6.28 17.17 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 121.772 1.648 . . . . 1.16 113.77 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.1 mt -99.88 -52.71 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 120.905 -1.122 . . . . 1.19 110.313 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.6 p -115.81 19.63 15.06 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.261 -0.9 . . . . 0.5 110.288 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 49.14 17.4 0.18 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.38 -0.825 . . . . 1.1 110.888 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.3 139.49 48.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.516 -1.365 . . . . 1.08 107.665 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.0 t -94.8 112.92 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.194 -0.941 . . . . 1.14 110.733 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' ALA . 31.7 mm -110.2 131.37 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 107.818 -1.178 . . . . 1.07 107.818 178.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.459 HH11 ' HG2' ' A' ' 44' ' ' ARG . 10.5 mtt-85 -75.39 -62.91 1.41 Allowed 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.933 -1.104 . . . . 2.82 110.814 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.447 ' NE2' ' C8 ' ' B' ' 105' ' ' ' DA' . 87.7 mt-30 -79.04 136.99 37.35 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.111 -0.993 . . . . 1.62 110.584 -179.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -63.54 -33.93 76.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.274 -0.891 . . . . 0.93 109.883 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.4 ptp180 -58.74 -40.01 82.55 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.208 -0.933 . . . . 1.04 109.212 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.442 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.2 m-20 -69.7 -27.36 64.93 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.326 -0.859 . . . . 0.34 109.868 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.37 -47.63 83.22 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.903 -1.123 . . . . 1.13 109.327 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.483 HH11 ' CG ' ' A' ' 50' ' ' ARG . 8.3 mtt-85 -58.83 -40.02 82.95 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.276 -1.379 . . . . 3.75 107.276 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.445 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 45.2 ttp180 -62.89 -39.8 95.59 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 109.366 -0.605 . . . . 0.51 109.366 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -61.41 -38.89 88.76 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.557 -0.714 . . . . 0.37 110.111 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.19 -42.32 94.79 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.15 -0.969 . . . . 1.12 109.719 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 63.4 mm-40 -72.16 -24.14 61.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.445 -0.784 . . . . 2.08 111.803 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.5 mt -93.95 -41.31 9.66 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.832 -1.168 . . . . 1.17 112.054 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.514 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 3.4 mmp_? -106.25 11.57 30.99 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.078 -1.014 . . . . 2.91 113.331 -176.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.0 m-70 -153.11 -65.94 0.15 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 119.916 -1.74 . . . . 0.67 110.52 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -81.2 6.86 12.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.055 -1.028 . . . . 1.04 110.186 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -71.35 -0.76 10.89 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.778 -0.823 . . . . 1.2 108.778 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.67 152.15 43.05 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.284 -0.885 . . . . 4.01 109.303 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -75.65 154.18 39.32 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 122.336 2.024 . . . . 2.6 110.882 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -170.87 -176.91 40.45 Favored Glycine 0 N--CA 1.485 1.953 0 N-CA-C 109.079 -1.608 . . . . 3.27 109.079 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.493 1.723 0 O-C-N 121.399 -1.06 . . . . 5.54 109.183 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 0 O4'-C1'-N19 110.786 3.733 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.444 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.833 0 O4'-C1'-N19 110.68 3.601 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.503 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.538 0 C3'-C2'-C1' 106.994 3.067 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.503 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.16 0 O4'-C1'-N19 110.854 3.817 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.427 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.29 1 O4'-C1'-N19 111.639 4.799 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.972 0 C3'-C2'-C1' 106.983 3.059 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O4'-C1'-N19 110.881 3.851 . . . . 0.73 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.498 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.339 1 O4'-C1'-N19 111.565 4.707 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.538 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.14 1 O4'-C1'-N19 111.181 4.226 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.538 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.979 0 O4'-C1'-N19 110.576 3.47 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.422 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.841 1 O4'-C1'-N19 111.151 4.189 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.261 0 O4'-C1'-N19 110.906 3.883 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.601 ' OP2' ' H72' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.369 0 C3'-C2'-C1' 106.951 3.036 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.47 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.998 0 O4'-C1'-N19 110.804 3.755 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.47 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.324 0 O4'-C1'-N19 110.863 3.829 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.415 ' H73' ' OP2' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.494 0 O4'-C1'-N19 110.588 3.485 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.51 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.402 1 O4'-C1'-N19 111.018 4.023 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.51 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.831 1 O4'-C1'-N19 111.653 4.816 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.774 1 O4'-C1'-N19 111.349 4.436 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.33 1 O4'-C1'-N19 111.181 4.227 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.626 0 O4'-C1'-N19 110.64 3.551 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.485 0 O4'-C1'-N19 110.485 3.357 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo . . . . . 0 N--CA 1.492 1.422 0 CA-C-O 121.488 0.537 . . . . 8.38 112.219 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' CB ' ' HZ1' ' A' ' 11' ' ' LYS . 9.4 mtpm? -85.01 120.17 26.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.518 -0.739 . . . . 7.76 109.397 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.32 -80.17 0.06 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.944 -1.097 . . . . 4.56 109.274 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.35 129.66 34.76 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.432 -0.793 . . . . 4.79 109.173 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -85.49 98.7 10.76 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.02 -1.05 . . . . 0.85 108.349 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.14 134.15 35.61 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.39 -0.819 . . . . 1.46 110.48 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -89.08 17.2 6.07 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.327 -0.99 . . . . 2.61 108.327 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.594 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 23.3 m170 -77.53 -30.0 0.73 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.281 -0.887 . . . . 3.96 112.847 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 57.6 Cg_exo -49.98 141.61 29.04 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 121.531 1.487 . . . . 1.14 112.887 -178.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -74.02 172.26 16.29 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.333 2.022 . . . . 1.52 111.466 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.69 17.05 79.05 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.92 -1.272 . . . . 1.41 109.92 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.405 ' O ' ' CG2' ' A' ' 21' ' ' THR . 5.2 t -90.54 86.84 6.53 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.043 -1.269 . . . . 1.49 110.217 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 1.1 mp0 -79.83 158.76 26.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.238 -0.914 . . . . 2.59 109.037 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -105.84 73.97 0.29 Allowed Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.256 -0.902 . . . . 2.78 110.236 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.86 143.38 91.49 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.035 1.157 . . . . 1.04 111.757 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 25' ' ' ARG . 45.9 mtt-85 -68.96 -14.31 62.96 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.275 -0.891 . . . . 4.24 109.942 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -68.1 -6.28 22.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.083 -1.011 . . . . 1.34 109.824 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 30.0 mmt180 -100.58 -21.53 15.26 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.319 -0.863 . . . . 1.23 110.645 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 p -107.35 -41.41 5.1 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.119 -0.988 . . . . 1.1 110.476 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.39 -28.46 69.26 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.039 -1.038 . . . . 3.48 110.192 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -53.54 -38.29 63.66 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.711 0.767 . . . . 1.04 109.267 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.533 ' CG ' HH21 ' A' ' 47' ' ' ARG . 74.0 mm-40 -91.55 148.88 21.97 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.409 -0.807 . . . . 1.3 109.084 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -114.82 149.92 43.21 Favored Pre-proline 0 N--CA 1.494 1.758 0 N-CA-C 108.921 -0.77 . . . . 2.67 108.921 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -38.05 154.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.365 2.043 . . . . 0.74 111.578 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.83 136.18 22.75 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.835 -1.166 . . . . 1.08 110.476 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.0 m -117.1 158.96 23.32 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.671 -0.862 . . . . 1.17 108.671 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' TYR . 1.8 t -105.07 103.66 42.91 Favored Pre-proline 0 N--CA 1.504 2.248 0 O-C-N 121.306 -0.871 . . . . 0.42 108.925 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -53.69 -4.55 0.23 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.067 1.845 . . . . 1.16 113.851 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.402 HG22 HD11 ' A' ' 38' ' ' ILE . 52.9 mt -96.29 -64.21 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 120.778 -1.201 . . . . 1.19 109.863 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.4 p -106.93 11.32 30.02 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.978 -0.749 . . . . 0.5 108.978 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' CYS . 90.9 m-85 55.46 25.45 7.78 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.842 -0.536 . . . . 1.1 110.529 178.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.91 135.07 57.68 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.208 -1.404 . . . . 1.08 107.208 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.6 t -92.04 109.12 20.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 O-C-N 120.993 -1.067 . . . . 1.14 109.806 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ALA . 42.2 mm -109.12 129.54 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 N-CA-C 107.627 -1.249 . . . . 1.07 107.627 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -71.94 -64.74 0.88 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.753 -1.217 . . . . 2.82 110.437 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -78.96 140.54 38.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.36 -0.837 . . . . 1.62 110.664 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.9 p -67.69 -32.4 73.03 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.694 -0.629 . . . . 0.93 110.917 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.533 HH21 ' CG ' ' A' ' 31' ' ' GLU . 13.9 ptp180 -59.41 -40.63 87.28 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.908 -1.12 . . . . 1.04 109.442 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.408 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 97.6 m-20 -69.45 -29.4 67.08 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.536 -0.727 . . . . 0.34 109.698 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.2 tp -60.0 -46.43 89.51 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.408 -0.807 . . . . 1.13 109.151 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -59.89 -40.22 87.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.842 -1.161 . . . . 3.75 108.178 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -63.82 -36.77 84.99 Favored 'General case' 0 C--N 1.296 -1.733 0 C-N-CA 119.747 -0.781 . . . . 0.51 109.353 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -63.22 -33.46 75.54 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.292 -0.88 . . . . 0.37 110.011 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.78 -47.63 82.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.923 -1.111 . . . . 1.12 110.04 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 93.5 mt-10 -72.49 -21.5 61.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.272 -0.892 . . . . 2.08 111.808 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.16 -35.97 12.27 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.556 -1.34 . . . . 1.17 112.075 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.518 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.1 mmm180 -110.48 13.75 22.67 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.909 -1.119 . . . . 2.91 112.025 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.518 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.8 m-70 -152.56 -72.1 0.15 Allowed 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.389 -1.444 . . . . 0.67 111.444 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -80.47 9.82 5.46 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.753 -1.217 . . . . 1.04 110.672 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -66.34 -11.99 54.17 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.958 -1.089 . . . . 1.2 109.489 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -90.38 154.64 46.61 Favored Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 121.043 -1.036 . . . . 4.01 110.451 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 62' ' ' GLY . 60.4 Cg_exo -49.38 144.14 18.69 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.957 1.772 . . . . 2.6 110.775 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 61' ' ' PRO . . . -47.85 -96.29 0.01 OUTLIER Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.775 -1.33 . . . . 3.27 109.775 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 N--CA 1.495 1.777 0 O-C-N 121.387 -1.066 . . . . 5.54 109.968 -179.742 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C1'-N19 110.194 2.992 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.421 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.627 0 O4'-C1'-N19 110.401 3.252 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.421 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.19 4.237 . . . . 0.65 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.465 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.248 1 O4'-C1'-N19 111.166 4.207 . . . . 0.4 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.465 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.609 1 O4'-C1'-N19 111.902 5.127 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.478 0 O4'-C1'-N19 110.657 3.571 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.794 0 O4'-C1'-N19 110.194 2.992 . . . . 0.73 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.527 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.174 0 O4'-C1'-N19 110.38 3.225 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.503 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.402 1 O4'-C1'-N19 111.554 4.693 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.605 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.017 0 C3'-C2'-C1' 107.041 3.101 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.605 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.303 0 O4'-C1'-N19 110.608 3.51 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.149 0 O4'-C1'-N19 110.823 3.778 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.495 ' H73' ' OP2' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.688 3.61 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C1'-N19 110.637 3.546 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.384 0 O4'-C1'-N19 110.538 3.423 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.576 " H4'" ' OP1' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.607 0 O4'-C1'-N19 110.882 3.852 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.576 ' OP1' " H4'" ' C' ' 116' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.546 4.371 1 O4'-C1'-N19 111.877 5.096 . . . . 1.95 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.732 1 O4'-C1'-N19 111.286 4.357 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.109 0 O4'-C1'-N19 110.786 3.732 . . . . 0.64 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.532 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.742 3.678 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.532 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.131 0 O4'-C1'-N19 110.946 3.933 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.545 0 O4'-C1'-N19 110.381 3.226 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo . . . . . 0 N--CA 1.496 1.626 0 CA-C-O 121.173 0.405 . . . . 8.38 111.73 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -82.56 148.83 27.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.129 -0.982 . . . . 7.76 108.913 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.02 -152.43 0.32 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.889 -1.132 . . . . 4.56 110.234 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -150.37 -69.32 0.19 Allowed 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.336 -0.853 . . . . 4.79 109.008 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -85.68 100.78 12.22 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.954 -1.091 . . . . 0.85 109.93 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.0 132.36 45.4 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.574 -0.704 . . . . 1.46 109.96 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -93.78 9.2 38.15 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.782 -0.821 . . . . 2.61 108.782 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.629 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.0 m80 -78.91 -30.68 0.68 Allowed Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.337 -0.852 . . . . 3.96 112.403 -178.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.0 Cg_exo -54.21 143.75 62.51 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.963 1.775 . . . . 1.14 111.518 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -77.87 173.59 13.83 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.645 2.23 . . . . 1.52 111.886 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.24 31.96 49.98 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.389 -1.484 . . . . 1.41 109.389 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.51 ' O ' ' CG2' ' A' ' 21' ' ' THR . 13.5 t -90.52 88.73 7.26 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.123 -1.222 . . . . 1.49 109.715 -179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -81.08 141.95 33.81 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.981 -1.074 . . . . 2.59 108.667 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -106.54 72.94 0.3 Allowed Pre-proline 0 N--CA 1.504 2.235 0 O-C-N 121.115 -0.99 . . . . 2.78 110.476 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -64.95 142.32 74.7 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.27 1.313 . . . . 1.04 111.263 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.429 ' H ' ' CD ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -70.52 -6.72 38.34 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.27 -0.894 . . . . 4.24 109.449 -179.19 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.3 m -70.29 -7.76 45.02 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.258 -0.901 . . . . 1.34 109.931 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.527 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 31.3 mmt180 -102.13 -23.3 14.07 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.005 -1.059 . . . . 1.23 110.614 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.445 ' H ' ' HG ' ' A' ' 28' ' ' SER . 4.1 p -103.12 -36.31 8.18 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.969 -1.082 . . . . 1.1 110.336 -178.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.2 -30.07 69.13 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.009 -1.057 . . . . 3.48 110.164 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.4 m -59.64 -30.57 68.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.263 -0.898 . . . . 1.04 109.476 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -84.35 143.37 29.53 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.153 -0.967 . . . . 1.3 110.412 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 44' ' ' ARG . 92.9 mt-30 -115.75 153.52 48.01 Favored Pre-proline 0 N--CA 1.501 2.117 0 N-CA-C 108.889 -0.782 . . . . 2.67 108.889 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.09 154.55 17.62 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 122.291 1.994 . . . . 0.74 111.726 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 43' ' ' ILE . . . -149.99 136.65 19.2 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.856 -1.153 . . . . 1.08 111.104 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -114.48 161.46 17.96 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.526 -0.734 . . . . 1.17 109.371 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.453 ' C ' ' H ' ' A' ' 38' ' ' ILE . 6.3 t -106.36 100.45 29.72 Favored Pre-proline 0 N--CA 1.504 2.227 0 O-C-N 121.459 -0.776 . . . . 0.42 109.664 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.74 -0.59 0.09 OUTLIER 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.246 1.964 . . . . 1.16 113.35 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.453 ' H ' ' C ' ' A' ' 36' ' ' CYS . 17.3 mt -98.33 -63.95 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.896 -1.128 . . . . 1.19 109.71 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.9 p -109.21 13.15 24.55 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.585 -0.895 . . . . 0.5 108.585 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 55.44 19.04 2.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.835 -0.54 . . . . 1.1 110.947 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.23 136.37 57.94 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.603 -1.258 . . . . 1.08 107.603 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -95.84 112.23 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 120.7 -1.25 . . . . 1.14 110.449 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 34' ' ' ALA . 26.8 mm -109.29 129.91 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 107.026 -1.472 . . . . 1.07 107.026 177.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.437 HH11 ' HG2' ' A' ' 44' ' ' ARG . 17.9 mtt-85 -71.73 -61.76 1.66 Allowed 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.864 -1.148 . . . . 2.82 110.329 -178.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.551 HE22 ' NH2' ' A' ' 47' ' ' ARG . 76.4 mt-30 -78.26 136.59 37.79 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.9 -1.125 . . . . 1.62 110.76 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.635 ' HG ' ' N ' ' A' ' 47' ' ' ARG . 23.7 p -66.49 -38.96 88.4 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.317 -0.865 . . . . 0.93 110.252 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.635 ' N ' ' HG ' ' A' ' 46' ' ' SER . 26.6 ptt180 -55.66 -38.78 70.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.963 -1.086 . . . . 1.04 108.639 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.82 -27.56 64.98 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.231 -0.918 . . . . 0.34 109.576 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.76 -46.67 88.44 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.701 -1.249 . . . . 1.13 108.991 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -55.64 -41.2 73.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.787 -1.196 . . . . 3.75 107.964 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.41 ' NH1' ' C5 ' ' B' ' 103' ' ' ' DC' . 46.7 ttp180 -60.6 -42.08 96.05 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.464 -0.894 . . . . 0.51 108.768 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.52 -39.16 86.78 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.485 -0.759 . . . . 0.37 110.861 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.05 -41.77 83.99 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.955 -1.091 . . . . 1.12 109.588 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 94.0 mt-10 -73.44 -17.77 61.21 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.458 -0.776 . . . . 2.08 111.767 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -93.89 -50.18 5.47 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 120.687 -1.258 . . . . 1.17 113.462 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 3.4 mmp_? -106.15 26.26 9.98 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.613 -1.304 . . . . 2.91 111.775 -177.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 97.8 m-70 -155.35 -76.9 0.1 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.474 -1.392 . . . . 0.67 110.519 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.541 ' C ' ' H ' ' A' ' 60' ' ' LYS . 89.2 m-85 -78.58 6.25 9.14 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.457 -0.777 . . . . 1.04 109.651 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -72.27 20.09 0.07 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.553 -0.717 . . . . 1.2 109.293 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.541 ' H ' ' C ' ' A' ' 58' ' ' PHE . 2.3 mmmm -87.62 150.4 48.41 Favored Pre-proline 0 N--CA 1.495 1.805 0 N-CA-C 108.496 -0.927 . . . . 4.01 108.496 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -71.66 163.13 39.94 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.287 1.991 . . . . 2.6 112.886 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -162.62 -130.68 1.14 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.132 -1.587 . . . . 3.27 109.132 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.355 -1.085 . . . . 5.54 108.691 179.304 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.403 ' H8 ' " O5'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.571 0 O4'-C1'-N19 110.395 3.243 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.582 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.467 0 O4'-C1'-N19 110.432 3.29 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.582 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.325 0 O4'-C1'-N19 110.768 3.71 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.511 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.791 0 O4'-C1'-N19 110.835 3.794 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.511 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.016 1 O4'-C1'-N19 111.115 4.144 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.436 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.454 0 O4'-C1'-N19 110.441 3.301 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.436 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.599 0 O4'-C1'-N19 110.68 3.6 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.599 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.455 1 O4'-C1'-N19 111.105 4.132 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.599 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.086 1 O4'-C1'-N19 111.395 4.493 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.548 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.052 0 C3'-C2'-C1' 107.112 3.152 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.544 0 O4'-C1'-N19 110.979 3.974 . . . . 0.96 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.606 0 O4'-C1'-N19 110.81 3.762 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.511 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.009 0 O4'-C1'-N19 110.353 3.191 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.562 H2'' " O5'" ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.517 1 O4'-C1'-N19 111.111 4.138 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.562 " O5'" H2'' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.03 0 C3'-C2'-C1' 106.899 2.999 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 0 O4'-C1'-N19 110.334 3.168 . . . . 1.1 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.516 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.678 1 O4'-C1'-N19 111.251 4.313 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.516 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.31 4.388 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.464 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.378 0 O4'-C1'-N19 110.682 3.602 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.464 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.405 1 O4'-C1'-N19 111.204 4.255 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.778 0 O4'-C1'-N19 110.587 3.484 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 0 O4'-C1'-N19 110.442 3.303 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo . . . . . 0 N--CA 1.492 1.44 0 CA-C-O 121.215 0.423 . . . . 8.38 111.849 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -75.87 168.69 19.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.228 -0.92 . . . . 7.76 109.334 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.1 4.17 0.14 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.091 -1.005 . . . . 4.56 109.194 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -78.3 148.41 33.85 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.504 -0.748 . . . . 4.79 109.03 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -89.35 97.78 11.39 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.301 -0.874 . . . . 0.85 108.995 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.47 121.61 37.34 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.282 -0.886 . . . . 1.46 110.746 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -94.11 8.59 41.02 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.418 -0.801 . . . . 2.61 109.923 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.62 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 12.3 t-80 -82.37 -34.33 0.66 Allowed Pre-proline 0 N--CA 1.501 2.121 0 O-C-N 120.85 -1.156 . . . . 3.96 111.882 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 37.1 Cg_exo -58.8 139.29 90.15 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 122.079 1.853 . . . . 1.14 111.843 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 18' ' ' PRO . 84.7 Cg_exo -44.09 179.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.094 1.863 . . . . 1.52 112.996 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.65 25.92 64.13 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 110.004 -1.238 . . . . 1.41 110.004 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.418 ' O ' ' CG2' ' A' ' 21' ' ' THR . 7.8 t -91.51 87.03 6.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.034 -1.274 . . . . 1.49 108.843 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -84.24 139.52 32.3 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.381 -0.825 . . . . 2.59 109.255 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -108.04 80.46 1.06 Allowed Pre-proline 0 N--CA 1.499 2.023 0 O-C-N 121.518 -0.739 . . . . 2.78 110.372 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.75 135.97 16.49 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 122.015 1.81 . . . . 1.04 112.243 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.97 -4.78 30.45 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.276 -0.89 . . . . 4.24 110.454 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -69.56 -14.45 62.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.043 -1.035 . . . . 1.34 110.009 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.547 ' NH1' ' N7 ' ' C' ' 114' ' ' ' DA' . 15.4 mmm180 -105.86 -23.34 12.71 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.179 -0.951 . . . . 1.23 109.875 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 p -97.16 -29.74 13.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.077 -1.015 . . . . 1.1 108.446 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -72.3 -40.23 67.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.304 -0.872 . . . . 3.48 108.879 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -58.78 -29.98 67.22 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.43 -0.952 . . . . 1.04 108.43 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -80.59 138.87 36.49 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.516 -0.74 . . . . 1.3 109.358 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -123.87 152.63 66.57 Favored Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 121.561 -0.712 . . . . 2.67 109.103 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -41.88 152.68 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.281 0 C-N-CA 121.734 1.623 . . . . 0.74 112.168 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -149.08 131.19 15.39 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.285 -0.884 . . . . 1.08 109.736 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.2 m -116.17 160.78 19.91 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.478 -0.764 . . . . 1.17 110.763 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 40' ' ' TYR . 8.1 t -106.58 100.63 31.6 Favored Pre-proline 0 N--CA 1.5 2.027 0 O-C-N 121.752 -0.592 . . . . 0.42 109.896 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.73 -2.1 0.18 Allowed 'Trans proline' 0 N--CA 1.502 2.019 0 C-N-CA 122.357 2.038 . . . . 1.16 113.552 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.9 mt -97.45 -55.0 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 120.994 -1.066 . . . . 1.19 109.507 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.8 p -117.95 15.18 14.26 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 108.571 -0.9 . . . . 0.5 108.571 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' CYS . 94.3 m-85 52.72 17.45 0.83 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.783 -0.573 . . . . 1.1 110.404 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.36 134.05 53.33 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.439 -1.319 . . . . 1.08 107.439 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.1 t -94.64 112.94 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.951 -1.093 . . . . 1.14 110.892 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.2 mm -111.03 121.39 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.278 -1.378 . . . . 1.07 107.278 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 44' ' ' ARG . 14.6 mtt-85 -65.74 -52.65 49.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.791 -1.193 . . . . 2.82 110.582 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.56 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 47.5 mt-30 -83.69 137.65 33.68 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.287 -0.883 . . . . 1.62 111.307 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.589 ' HG ' ' N ' ' A' ' 47' ' ' ARG . 83.2 p -66.93 -39.82 87.43 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.258 -0.901 . . . . 0.93 110.187 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.589 ' N ' ' HG ' ' A' ' 46' ' ' SER . 25.3 ptt180 -59.5 -39.41 83.71 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.07 -1.019 . . . . 1.04 109.082 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -67.17 -30.86 70.94 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.146 -0.971 . . . . 0.34 108.976 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.51 -45.5 93.57 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.05 -1.031 . . . . 1.13 109.746 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -56.85 -40.16 75.59 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.867 -1.145 . . . . 3.75 107.968 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.412 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 44.0 ttp180 -65.61 -37.35 86.37 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.69 -0.856 . . . . 0.51 108.69 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -61.61 -39.39 91.09 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.216 -0.928 . . . . 0.37 109.87 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.14 -44.19 95.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.085 -1.01 . . . . 1.12 110.607 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 80.3 mm-40 -74.31 -14.25 60.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.23 -0.919 . . . . 2.08 111.244 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.2 mt -92.37 -51.95 4.9 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.472 -1.392 . . . . 1.17 112.437 -178.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.537 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 23.2 mmm180 -104.65 11.39 34.16 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.827 -1.17 . . . . 2.91 112.585 -177.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 65.2 m-70 -146.89 -77.96 0.17 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.247 -1.533 . . . . 0.67 110.714 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -77.49 21.91 0.26 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.044 -1.035 . . . . 1.04 110.233 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -72.64 -6.7 46.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.472 -0.768 . . . . 1.2 110.507 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.466 ' CD ' ' H ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -88.61 147.18 38.91 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 120.705 -1.247 . . . . 4.01 109.368 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -72.57 144.57 40.34 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.267 1.978 . . . . 2.6 112.497 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.34 -155.32 9.43 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.006 -1.238 . . . . 3.27 110.006 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.499 2.011 0 O-C-N 121.44 -1.035 . . . . 5.54 109.326 -179.602 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.561 0 O4'-C1'-N19 110.996 3.995 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.595 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.537 3.422 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.595 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.542 3.842 0 O4'-C1'-N19 110.485 3.356 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.421 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.37 1 O4'-C1'-N19 111.031 4.038 . . . . 0.4 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.421 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.634 1 O4'-C1'-N19 111.006 4.008 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.485 0 O4'-C1'-N19 110.669 3.587 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.574 ' N3 ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.825 3.781 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.471 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.854 0 O4'-C1'-N19 110.308 3.135 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.557 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.612 0 O4'-C1'-N19 110.687 3.609 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.557 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.057 0 O4'-C1'-N19 110.253 3.066 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 1 O4'-C1'-N19 111.012 4.015 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.135 0 O4'-C1'-N19 110.51 3.387 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.481 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.157 0 O4'-C1'-N19 110.456 3.32 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.481 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.937 0 O4'-C1'-N19 110.928 3.91 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.542 0 O4'-C1'-N19 110.515 3.394 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.447 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O4'-C1'-N19 110.689 3.611 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.502 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.378 0 O4'-C1'-N19 110.671 3.588 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.502 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.17 1 O4'-C1'-N19 111.883 5.103 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.452 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.351 0 O4'-C1'-N19 110.799 3.749 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.518 ' C6 ' ' C6 ' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.718 1 O4'-C1'-N19 111.145 4.181 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.518 ' C6 ' ' C6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.045 1 O4'-C1'-N19 111.002 4.002 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.537 0 O4'-C1'-N19 110.288 3.111 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo . . . . . 0 N--CA 1.492 1.423 0 CA-C-O 121.621 0.592 . . . . 8.38 111.755 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -78.45 143.73 36.45 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.397 -0.815 . . . . 7.76 109.584 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.46 52.98 0.51 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.201 -0.937 . . . . 4.56 109.756 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -81.07 100.87 9.24 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.806 -0.813 . . . . 4.79 108.806 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.574 ' NH2' ' N3 ' ' B' ' 107' ' ' ' DA' . 60.3 mtp180 -89.02 102.03 14.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.116 -0.99 . . . . 0.85 109.39 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.94 104.24 16.12 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.116 -0.99 . . . . 1.46 110.836 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -95.65 7.59 45.85 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.146 -0.971 . . . . 2.61 109.765 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.604 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 24.0 t-80 -80.02 -30.12 0.59 Allowed Pre-proline 0 N--CA 1.494 1.771 0 O-C-N 121.22 -0.925 . . . . 3.96 112.693 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 73.9 Cg_exo -51.52 156.05 6.6 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 121.791 1.661 . . . . 1.14 112.122 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.93 170.6 0.99 Allowed 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.444 2.096 . . . . 1.52 111.829 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.98 24.27 72.29 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.996 -1.242 . . . . 1.41 109.996 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.41 ' O ' ' CG2' ' A' ' 21' ' ' THR . 7.8 t -93.67 88.54 5.87 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.103 -1.233 . . . . 1.49 109.565 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mp0 -79.71 150.48 30.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.181 -0.95 . . . . 2.59 108.906 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -106.07 74.46 0.32 Allowed Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.268 -0.895 . . . . 2.78 110.206 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.5 137.32 54.53 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 121.298 1.332 . . . . 1.04 111.475 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HG2' ' NH1' ' A' ' 25' ' ' ARG . 6.1 tpt180 -71.11 -18.72 62.51 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.35 -0.843 . . . . 4.24 110.263 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -65.81 -4.29 6.42 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.02 -1.05 . . . . 1.34 112.218 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.471 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 24.6 mmt180 -104.74 -22.44 13.21 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.809 -1.182 . . . . 1.23 109.237 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 p -100.93 -34.07 9.94 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.292 -0.88 . . . . 1.1 109.461 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -60.03 -36.51 77.43 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.226 -0.921 . . . . 3.48 109.611 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.9 m -56.24 -30.94 63.06 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.018 -1.051 . . . . 1.04 109.457 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.476 ' CG ' HH21 ' A' ' 47' ' ' ARG . 71.7 mm-40 -94.54 138.49 32.37 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.2 -0.937 . . . . 1.3 110.169 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -118.11 153.2 51.26 Favored Pre-proline 0 N--CA 1.494 1.772 0 N-CA-C 108.686 -0.857 . . . . 2.67 108.686 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -42.1 154.14 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.851 1.7 . . . . 0.74 111.378 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.95 141.83 25.81 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.999 -1.063 . . . . 1.08 110.327 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.2 m -117.08 152.14 35.33 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.5 -0.75 . . . . 1.17 109.921 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.7 t -88.77 131.08 42.67 Favored Pre-proline 0 N--CA 1.498 1.941 0 O-C-N 121.153 -0.967 . . . . 0.42 108.999 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.53 -7.54 15.84 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 121.63 1.554 . . . . 1.16 112.736 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 83.3 mt -98.81 -52.66 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.159 -0.963 . . . . 1.19 110.052 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 41' ' ' ALA . 14.1 p -118.32 27.0 9.22 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.286 -0.883 . . . . 0.5 110.731 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 41.96 18.55 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.309 -0.869 . . . . 1.1 111.252 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . -58.52 136.91 57.66 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.281 -1.377 . . . . 1.08 107.281 178.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.24 114.27 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.009 -1.057 . . . . 1.14 110.77 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.415 HD11 HG22 ' A' ' 43' ' ' ILE . 28.3 mm -110.03 129.69 64.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 N-CA-C 108.009 -1.108 . . . . 1.07 108.009 178.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' A' ' 44' ' ' ARG . 36.4 mtt-85 -73.13 -65.14 0.84 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.889 -1.132 . . . . 2.82 110.624 -178.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -77.62 137.71 38.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.085 -1.01 . . . . 1.62 110.517 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.8 p -65.15 -37.57 87.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.506 -0.747 . . . . 0.93 109.642 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.476 HH21 ' CG ' ' A' ' 31' ' ' GLU . 12.7 ptp180 -54.6 -43.95 72.65 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.894 -1.129 . . . . 1.04 109.088 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.42 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 83.8 m-20 -63.52 -32.41 73.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.136 -0.978 . . . . 0.34 109.532 179.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 tp -55.12 -44.05 74.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.893 -1.129 . . . . 1.13 108.992 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.55 HH11 ' CG ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -59.88 -40.67 89.47 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.089 -1.078 . . . . 3.75 108.089 179.425 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -65.26 -35.06 79.87 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.607 0.717 . . . . 0.51 109.58 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -63.62 -41.73 98.26 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.475 -0.766 . . . . 0.37 109.518 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.01 -40.35 88.93 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.184 -0.947 . . . . 1.12 109.754 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 92.7 mt-10 -73.7 -27.74 61.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.382 -0.824 . . . . 2.08 111.734 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -92.81 -42.05 9.76 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.761 -1.212 . . . . 1.17 112.081 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.53 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 24.4 mmm180 -106.36 17.79 22.9 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 120.729 -1.232 . . . . 2.91 112.761 -177.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.7 m-70 -155.83 -71.24 0.11 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.371 -1.455 . . . . 0.67 110.424 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -81.91 14.73 2.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.635 -0.665 . . . . 1.04 110.603 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -72.23 -3.96 26.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.225 -0.922 . . . . 1.2 108.958 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -88.82 147.79 39.91 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.272 -0.892 . . . . 4.01 108.957 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.53 168.73 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.063 1.176 . . . . 2.6 111.881 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -158.78 109.65 0.41 Allowed Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.672 -1.371 . . . . 3.27 109.672 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.501 2.085 0 CA-C-O 117.921 -1.038 . . . . 5.54 109.752 -179.787 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.969 0 O4'-C1'-N19 110.317 3.146 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.634 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.037 0 O4'-C1'-N19 110.808 3.759 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.634 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.487 3.359 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.443 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.939 0 C3'-C2'-C1' 106.882 2.987 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.483 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.94 5.175 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.517 ' N2 ' ' C2 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.914 0 O4'-C1'-N19 110.371 3.213 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.517 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.502 3.378 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.267 1 O4'-C1'-N19 111.595 4.743 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.467 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.884 1 O4'-C1'-N19 111.372 4.465 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.475 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.467 0 O4'-C1'-N19 110.923 3.904 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.475 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.359 1 O4'-C1'-N19 111.299 4.373 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.476 0 O4'-C1'-N19 110.732 3.666 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.577 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.295 0 C3'-C2'-C1' 106.886 2.99 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.577 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.013 1 O4'-C1'-N19 111.41 4.512 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.559 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.119 0 O4'-C1'-N19 110.212 3.015 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.588 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.186 0 C3'-C2'-C1' 107.102 3.145 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.588 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.63 1 O4'-C1'-N19 111.06 4.075 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.545 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.896 1 O4'-C1'-N19 111.739 4.924 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.479 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.755 1 O4'-C1'-N19 111.187 4.233 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.569 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.599 0 O4'-C1'-N19 110.794 3.743 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.569 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.314 1 O4'-C1'-N19 111.016 4.02 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . 0.442 ' H6 ' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.319 0 C3'-C2'-C1' 107.142 3.173 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo . . . . . 0 N--CA 1.491 1.364 0 CA-C-O 121.198 0.416 . . . . 8.38 111.687 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.89 148.99 31.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 7.76 108.757 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.71 12.51 0.16 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.976 -1.078 . . . . 4.56 110.41 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.31 112.38 21.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.732 -1.23 . . . . 4.79 108.341 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -94.39 106.47 18.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.258 -0.901 . . . . 0.85 109.062 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.24 124.52 34.94 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.962 -1.086 . . . . 1.46 111.604 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' NZ ' ' CB ' ' A' ' 16' ' ' LYS . 7.8 mtpm? -92.81 12.25 24.21 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.756 -0.831 . . . . 2.61 108.756 178.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 55.3 t-80 -82.31 -30.39 0.51 Allowed Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.164 -0.96 . . . . 3.96 112.589 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.2 Cg_exo -53.97 154.35 17.72 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 121.589 1.526 . . . . 1.14 111.964 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -76.78 -179.49 5.43 Favored 'Trans proline' 0 N--CA 1.502 1.992 0 C-N-CA 123.222 2.615 . . . . 1.52 112.889 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.33 24.54 68.08 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.331 -1.108 . . . . 1.41 110.331 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 t -94.1 89.3 5.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.164 -1.198 . . . . 1.49 108.927 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -79.08 154.97 28.99 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.276 -0.89 . . . . 2.59 108.864 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -108.05 75.97 0.57 Allowed Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.462 -0.774 . . . . 2.78 110.242 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.78 142.85 32.62 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.357 1.372 . . . . 1.04 111.031 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -70.95 -8.26 51.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.955 -1.091 . . . . 4.24 110.862 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.8 m -70.3 -6.84 37.97 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.056 -1.027 . . . . 1.34 110.231 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -100.66 -24.85 14.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.327 -0.858 . . . . 1.23 110.086 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.4 p -108.84 -30.98 7.87 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.271 -0.893 . . . . 1.1 109.465 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -62.28 -38.48 89.51 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.05 -1.031 . . . . 3.48 108.727 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.1 m -56.54 -32.97 65.63 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.504 0.669 . . . . 1.04 109.418 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -92.32 147.53 22.85 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.437 -0.789 . . . . 1.3 110.278 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -120.46 152.98 56.0 Favored Pre-proline 0 N--CA 1.498 1.959 0 N-CA-C 108.603 -0.888 . . . . 2.67 108.603 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -48.1 149.93 5.49 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.452 2.101 . . . . 0.74 111.904 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.11 135.14 26.97 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.571 -0.706 . . . . 1.08 110.26 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -115.16 144.8 43.13 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.148 -0.97 . . . . 1.17 110.226 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -77.73 130.83 72.3 Favored Pre-proline 0 C--N 1.303 -1.452 0 N-CA-C 108.701 -0.852 . . . . 0.42 108.701 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.04 -7.11 16.22 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 121.841 1.694 . . . . 1.16 112.1 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.4 mt -100.88 -58.49 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.276 -0.89 . . . . 1.19 111.069 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.5 p -111.18 19.64 18.16 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.186 -0.946 . . . . 0.5 110.759 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 52.22 13.83 0.31 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.244 -0.91 . . . . 1.1 111.591 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.05 134.75 43.77 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.465 -1.309 . . . . 1.08 107.465 178.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -93.41 109.79 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.756 -1.215 . . . . 1.14 109.953 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.2 mm -104.77 128.7 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 107.662 -1.236 . . . . 1.07 107.662 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 44' ' ' ARG . 19.3 mtt-85 -73.81 -61.82 1.71 Allowed 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.919 -1.113 . . . . 2.82 110.677 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.483 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 91.1 mt-30 -79.21 134.38 36.68 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.025 -1.047 . . . . 1.62 109.522 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -64.12 -30.54 71.6 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.587 -0.845 . . . . 0.93 109.206 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 10.4 ptp180 -57.76 -44.45 86.15 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.828 -1.17 . . . . 1.04 108.811 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.458 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 84.5 m-20 -64.84 -30.7 71.72 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.23 -0.919 . . . . 0.34 109.386 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.7 tp -56.12 -46.64 79.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.037 -1.04 . . . . 1.13 108.693 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -59.87 -40.7 89.55 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.11 -1.071 . . . . 3.75 108.11 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -66.63 -37.23 84.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.467 -0.771 . . . . 0.51 108.976 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -60.13 -39.54 86.62 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 109.29 -0.633 . . . . 0.37 109.29 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.67 -39.93 82.08 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.961 -1.087 . . . . 1.12 109.438 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.537 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 60.8 mm-40 -76.22 -22.18 55.52 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.155 -0.966 . . . . 2.08 112.786 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -93.58 -42.18 9.35 Favored 'General case' 0 N--CA 1.509 2.475 0 O-C-N 120.451 -1.406 . . . . 1.17 112.157 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.535 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.6 mmm180 -106.56 16.44 24.6 Favored 'General case' 0 N--CA 1.507 2.396 0 O-C-N 120.921 -1.112 . . . . 2.91 112.318 -177.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 95.0 m-70 -155.26 -70.95 0.12 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.364 -1.46 . . . . 0.67 111.002 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.482 ' C ' ' H ' ' A' ' 60' ' ' LYS . 57.3 m-85 -80.58 12.99 2.73 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.117 -0.989 . . . . 1.04 109.026 -179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -75.4 18.54 0.21 Allowed 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 109.179 -0.675 . . . . 1.2 109.179 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -86.92 152.65 53.92 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.331 -0.856 . . . . 4.01 109.162 -179.514 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -74.69 135.41 19.67 Favored 'Trans proline' 0 N--CA 1.489 1.232 0 C-N-CA 121.854 1.702 . . . . 2.6 111.77 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.77 -2.99 89.0 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.831 -1.308 . . . . 3.27 109.831 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.495 1.825 0 O-C-N 121.289 -1.124 . . . . 5.54 109.223 179.538 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.253 0 O4'-C1'-N19 110.466 3.333 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.645 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.874 0 C3'-C2'-C1' 107.256 3.254 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.645 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.222 0 O4'-C1'-N19 110.555 3.443 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.47 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.704 1 O4'-C1'-N19 111.216 4.27 . . . . 0.4 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.456 " O4'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.444 1 O4'-C1'-N19 111.859 5.074 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.542 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.664 0 O4'-C1'-N19 110.419 3.274 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.542 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.018 0 O4'-C1'-N19 110.41 3.262 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.489 " O5'" H2'' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.902 1 O4'-C1'-N19 111.453 4.566 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.524 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.168 0 C3'-C2'-C1' 106.905 3.003 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.524 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.268 0 O4'-C1'-N19 110.578 3.473 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.49 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.413 0 O4'-C1'-N19 110.71 3.637 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 0 O4'-C1'-N19 110.985 3.981 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.497 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.204 0 O4'-C1'-N19 110.59 3.487 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.497 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.46 0 O4'-C1'-N19 110.447 3.308 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.478 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.803 0 O4'-C1'-N19 110.133 2.916 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 0 O4'-C1'-N19 110.489 3.362 . . . . 1.1 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.401 1 O4'-C1'-N19 111.366 4.458 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.507 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.742 1 O4'-C1'-N19 111.599 4.749 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.507 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.904 1 O4'-C1'-N19 111.522 4.652 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.426 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.425 1 O4'-C1'-N19 111.379 4.474 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.006 0 O4'-C1'-N19 110.345 3.182 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.651 0 O4'-C1'-N19 110.577 3.472 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo . . . . . 0 N--CA 1.492 1.43 0 CA-C-O 121.181 0.409 . . . . 8.38 112.752 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.94 143.81 29.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.142 -0.974 . . . . 7.76 109.424 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.21 -112.87 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.085 -1.009 . . . . 4.56 109.036 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -74.55 160.39 30.95 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.036 -1.04 . . . . 4.79 110.079 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -83.95 98.45 9.81 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.058 -1.026 . . . . 0.85 109.693 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.95 110.2 21.44 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.277 -0.89 . . . . 1.46 109.67 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -94.82 5.07 52.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.314 -0.867 . . . . 2.61 110.03 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.595 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.3 t-160 -80.87 -36.7 0.91 Allowed Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.026 -1.046 . . . . 3.96 112.322 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 78.5 Cg_exo -50.41 138.93 38.06 Favored 'Trans proline' 0 N--CA 1.504 2.103 0 C-N-CA 122.692 2.262 . . . . 1.14 113.948 -177.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -47.5 179.23 0.01 OUTLIER 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.07 1.847 . . . . 1.52 113.068 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.73 27.24 61.22 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.94 -1.264 . . . . 1.41 109.94 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' CG2' ' A' ' 21' ' ' THR . 8.8 t -97.2 90.11 5.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.328 -1.101 . . . . 1.49 109.715 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -77.66 138.46 39.1 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.127 -1.434 . . . . 2.59 107.127 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.78 77.59 1.09 Allowed Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 121.536 -0.728 . . . . 2.78 111.485 -178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -52.61 145.03 39.8 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 N-CA-C 109.587 -0.967 . . . . 1.04 109.587 177.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -67.58 -22.68 65.37 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.057 -1.027 . . . . 4.24 109.511 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.6 m -68.71 -13.84 62.64 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.501 -0.749 . . . . 1.34 111.956 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.488 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 28.7 mmt180 -76.88 -49.57 15.38 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.535 -1.353 . . . . 1.23 111.453 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -95.32 -30.84 13.73 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.721 -1.237 . . . . 1.1 110.079 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -60.54 -36.0 77.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.831 -1.168 . . . . 3.48 109.707 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 m -59.81 -30.37 68.87 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.261 -0.899 . . . . 1.04 110.029 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -86.79 137.75 32.16 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.943 -1.098 . . . . 1.3 109.989 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -119.37 152.17 52.3 Favored Pre-proline 0 N--CA 1.505 2.292 0 O-C-N 121.587 -0.696 . . . . 2.67 109.644 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -42.61 152.82 0.17 Allowed 'Trans proline' 0 N--CA 1.488 1.196 0 C-N-CA 121.866 1.711 . . . . 0.74 111.767 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.0 139.28 28.96 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.331 -0.856 . . . . 1.08 109.97 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.2 m -117.92 145.58 44.56 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.596 -0.69 . . . . 1.17 110.279 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.6 t -86.08 127.73 60.67 Favored Pre-proline 0 N--CA 1.492 1.651 0 N-CA-C 108.615 -0.883 . . . . 0.42 108.615 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.67 -3.29 13.18 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.641 1.561 . . . . 1.16 112.633 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 75.5 mt -98.39 -48.79 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.305 -0.872 . . . . 1.19 109.957 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.4 p -124.23 24.62 8.04 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.391 -0.818 . . . . 0.5 110.144 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 46.85 18.69 0.07 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.3 -0.875 . . . . 1.1 111.299 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.63 138.99 57.56 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.351 -1.351 . . . . 1.08 107.351 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.7 t -99.78 110.87 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.044 -1.035 . . . . 1.14 110.38 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.406 HG22 HD11 ' A' ' 43' ' ' ILE . 38.1 mm -107.03 131.76 56.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 N-CA-C 106.524 -1.658 . . . . 1.07 106.524 178.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' A' ' 44' ' ' ARG . 30.2 mtt-85 -71.58 -63.4 1.13 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.658 -1.276 . . . . 2.82 111.218 -177.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.532 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 92.5 mt-30 -78.73 137.2 37.66 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.23 -0.918 . . . . 1.62 110.614 -178.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.2 p -64.49 -37.35 87.22 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.82 -0.55 . . . . 0.93 110.774 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.532 ' NH2' ' OE1' ' A' ' 45' ' ' GLN . 24.7 ptt180 -59.11 -36.01 74.42 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.479 -1.388 . . . . 1.04 109.274 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -73.37 -23.16 60.15 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.104 -0.997 . . . . 0.34 109.113 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.5 tp -59.78 -48.1 83.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.085 -1.009 . . . . 1.13 108.528 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -59.34 -40.2 85.59 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.644 -1.243 . . . . 3.75 107.644 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -61.28 -36.63 80.58 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.521 0.676 . . . . 0.51 109.682 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -64.67 -36.64 84.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.37 109.472 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.51 -41.09 93.63 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.241 -0.912 . . . . 1.12 110.186 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 97.3 mt-10 -74.67 -16.18 60.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.293 -0.879 . . . . 2.08 110.888 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.4 mt -95.92 -48.9 5.52 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.869 -1.145 . . . . 1.17 112.553 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.542 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 21.7 mmm180 -105.95 14.81 27.46 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 121.007 -1.058 . . . . 2.91 112.353 -177.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.542 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 84.9 m-70 -150.69 -73.87 0.16 Allowed 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.277 -1.514 . . . . 0.67 111.188 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -79.42 13.01 2.13 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.383 -0.823 . . . . 1.04 109.141 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -71.47 4.44 3.02 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 109.492 -0.559 . . . . 1.2 109.492 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.68 145.34 36.82 Favored Pre-proline 0 N--CA 1.491 1.595 0 N-CA-C 108.202 -1.036 . . . . 4.01 108.202 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.55 158.55 56.61 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.002 1.801 . . . . 2.6 111.816 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.55 109.7 2.89 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.155 -1.578 . . . . 3.27 109.155 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.501 2.106 0 O-C-N 121.365 -1.08 . . . . 5.54 109.958 -179.537 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.402 ' H8 ' " O5'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.941 0 O4'-C1'-N19 110.324 3.155 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.547 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.613 0 O4'-C1'-N19 110.846 3.807 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.547 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.708 0 O4'-C1'-N19 110.753 3.691 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.514 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.19 0 O4'-C1'-N19 110.55 3.438 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.941 1 O4'-C1'-N19 111.472 4.591 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.481 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.617 2.43 0 O4'-C1'-N19 110.563 3.454 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.481 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.762 1 O4'-C1'-N19 111.212 4.265 . . . . 0.73 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.476 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.165 1 O4'-C1'-N19 111.327 4.408 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.395 1 O4'-C1'-N19 111.231 4.289 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.447 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.61 0 O4'-C1'-N19 110.762 3.702 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.447 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.769 1 O4'-C1'-N19 111.39 4.487 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.952 0 O4'-C1'-N19 110.724 3.655 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.483 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.941 0 O4'-C1'-N19 110.281 3.102 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.483 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.967 0 O4'-C1'-N19 110.857 3.821 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.463 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.029 0 O4'-C1'-N19 110.694 3.618 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.624 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.311 0 O4'-C1'-N19 110.309 3.137 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.624 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.952 1 O4'-C1'-N19 111.375 4.469 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.538 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.118 1 O4'-C1'-N19 111.196 4.245 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.645 1 O4'-C1'-N19 111.144 4.18 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.654 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.527 0 O4'-C1'-N19 110.368 3.21 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.654 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.67 1 O4'-C1'-N19 111.069 4.086 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.996 0 O4'-C1'-N19 110.55 3.438 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo . . . . . 0 N--CA 1.488 1.151 0 CA-C-O 121.055 0.356 . . . . 8.38 112.595 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -76.75 159.15 30.4 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.357 -0.84 . . . . 7.76 109.674 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.88 11.26 0.15 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.48 -0.762 . . . . 4.56 109.01 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -79.36 136.33 36.96 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.317 -0.864 . . . . 4.79 109.639 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -87.23 109.28 19.38 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.705 -0.622 . . . . 0.85 109.368 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.47 130.41 42.31 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.262 -0.899 . . . . 1.46 110.277 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -94.8 1.26 55.38 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.439 -0.788 . . . . 2.61 110.815 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.636 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 45.4 t-80 -83.54 -30.98 0.49 Allowed Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 120.897 -1.127 . . . . 3.96 112.746 -178.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 77.2 Cg_exo -49.24 153.09 4.78 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.223 1.949 . . . . 1.14 112.322 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -73.58 170.09 20.8 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.81 2.34 . . . . 1.52 112.25 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.87 13.99 81.48 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 110.304 -1.119 . . . . 1.41 110.304 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.458 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.0 t -91.61 91.41 8.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.951 -1.323 . . . . 1.49 109.492 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -79.72 159.62 26.56 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.777 -0.823 . . . . 2.59 108.777 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -106.37 69.02 0.22 Allowed Pre-proline 0 N--CA 1.499 1.987 0 O-C-N 121.46 -0.775 . . . . 2.78 110.153 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -63.31 134.34 44.79 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 121.538 1.492 . . . . 1.04 111.656 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -75.01 -3.98 35.6 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.3 -0.875 . . . . 4.24 110.212 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -69.97 -15.66 63.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.821 -1.175 . . . . 1.34 109.202 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.476 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 26.5 mmt180 -97.22 -18.08 19.46 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.245 -0.909 . . . . 1.23 109.839 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.5 p -105.56 -30.13 9.71 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.106 -0.996 . . . . 1.1 110.569 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -67.65 -29.63 68.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.898 -1.126 . . . . 3.48 109.136 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 m -60.75 -32.33 71.63 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.797 0.808 . . . . 1.04 108.838 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -93.41 139.24 30.92 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 109.058 -0.719 . . . . 1.3 109.058 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.503 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 0.9 OUTLIER -116.1 150.72 45.65 Favored Pre-proline 0 N--CA 1.502 2.138 0 O-C-N 121.613 -0.679 . . . . 2.67 109.694 -179.66 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -38.73 150.26 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.515 2.143 . . . . 0.74 112.048 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 43' ' ' ILE . . . -147.04 132.33 18.47 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.283 -0.886 . . . . 1.08 110.646 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.8 m -110.47 161.79 15.33 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.626 -0.671 . . . . 1.17 109.282 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.554 ' O ' ' N ' ' A' ' 40' ' ' TYR . 18.0 t -105.86 103.17 42.89 Favored Pre-proline 0 N--CA 1.499 1.995 0 O-C-N 121.566 -0.709 . . . . 0.42 109.472 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.53 -1.31 0.67 Allowed 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 121.812 1.674 . . . . 1.16 113.125 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 75.7 mt -97.4 -46.95 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.027 -1.046 . . . . 1.19 109.321 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.3 p -123.93 10.48 8.88 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.386 -0.821 . . . . 0.5 109.05 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.554 ' N ' ' O ' ' A' ' 36' ' ' CYS . 96.2 m-85 55.57 18.82 2.91 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.534 -0.729 . . . . 1.1 110.361 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.95 140.03 56.99 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.663 -1.236 . . . . 1.08 107.663 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.4 t -95.44 110.03 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.055 -1.028 . . . . 1.14 110.3 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 34' ' ' ALA . 39.1 mm -108.07 129.45 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 106.348 -1.723 . . . . 1.07 106.348 177.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.443 HH11 ' HG2' ' A' ' 44' ' ' ARG . 10.3 mtt-85 -70.4 -61.23 1.85 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.625 -1.297 . . . . 2.82 110.596 -177.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.689 HE22 ' NH2' ' A' ' 47' ' ' ARG . 98.3 mt-30 -77.45 139.7 39.7 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.169 -0.957 . . . . 1.62 109.921 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.642 ' HG ' ' N ' ' A' ' 47' ' ' ARG . 59.5 p -70.35 -40.22 74.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.179 -0.951 . . . . 0.93 109.836 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.689 ' NH2' HE22 ' A' ' 45' ' ' GLN . 27.0 ptt180 -55.3 -41.41 72.32 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.756 -1.215 . . . . 1.04 108.745 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -66.08 -29.87 70.28 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.126 -0.984 . . . . 0.34 109.73 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.0 -44.11 94.75 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.025 -1.047 . . . . 1.13 109.688 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 50' ' ' ARG . 16.9 ttt-85 -60.02 -41.13 91.52 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.943 -1.098 . . . . 3.75 108.702 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.438 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 42.3 ttp180 -64.61 -34.53 78.48 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.578 -0.849 . . . . 0.51 109.04 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -63.35 -35.59 80.89 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.212 -0.93 . . . . 0.37 109.199 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.38 -48.72 80.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.933 . . . . 1.12 110.253 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 71.5 mt-10 -68.81 -20.91 64.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.124 -0.985 . . . . 2.08 111.558 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.9 mt -93.17 -32.27 14.46 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.68 -1.263 . . . . 1.17 112.381 -178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.516 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 16.4 mmm-85 -115.53 0.78 13.44 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 120.927 -1.108 . . . . 2.91 112.859 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 60.9 m-70 -146.0 -68.22 0.28 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 120.324 -1.485 . . . . 0.67 110.594 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.7 15.94 0.95 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.063 -1.023 . . . . 1.04 110.181 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -71.37 -6.4 39.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.287 -0.883 . . . . 1.2 108.962 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -90.24 148.05 38.3 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.087 -1.008 . . . . 4.01 108.726 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.84 128.92 12.88 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.328 2.019 . . . . 2.6 110.826 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.62 -7.25 88.64 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.803 -1.319 . . . . 3.27 109.803 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 117.787 -1.101 . . . . 5.54 109.059 179.748 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.963 0 O4'-C1'-N19 110.602 3.502 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.431 0 O4'-C1'-N19 110.491 3.364 . . . . 0.77 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.552 0 O4'-C1'-N19 109.988 2.735 . . . . 0.65 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.566 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.837 3.797 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.566 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.543 3.958 1 O4'-C1'-N19 111.198 4.247 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.651 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.74 0 C3'-C2'-C1' 107.033 3.095 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.651 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.038 0 O4'-C1'-N19 110.393 3.241 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.527 " O5'" H2'' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.116 0 O4'-C1'-N19 110.954 3.942 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.451 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.938 1 O4'-C1'-N19 111.266 4.333 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.506 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.961 0 C3'-C2'-C1' 107.129 3.164 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.506 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.365 1 O4'-C1'-N19 111.146 4.182 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.436 0 O4'-C1'-N19 110.637 3.546 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 0 C3'-C2'-C1' 106.694 2.853 . . . . 1.14 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.548 H2'' " O5'" ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.016 0 O4'-C1'-N19 110.842 3.802 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.548 " O5'" H2'' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.401 0 O4'-C1'-N19 110.222 3.027 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.514 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.059 0 O4'-C1'-N19 110.858 3.823 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.517 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.347 0 O4'-C1'-N19 110.936 3.921 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.517 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.465 1 O4'-C1'-N19 111.653 4.817 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.331 1 O4'-C1'-N19 111.162 4.202 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.414 0 O4'-C1'-N19 110.659 3.574 . . . . 0.68 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.683 0 O4'-C1'-N19 110.392 3.24 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.705 0 C3'-C2'-C1' 106.972 3.051 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo . . . . . 0 N--CA 1.492 1.43 0 CA-C-O 121.167 0.403 . . . . 8.38 111.689 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -79.26 139.78 37.8 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.108 -0.995 . . . . 7.76 108.492 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.35 -72.99 0.1 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.175 -0.953 . . . . 4.56 109.278 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -155.73 109.93 2.85 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.011 -1.056 . . . . 4.79 109.666 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -88.88 97.52 11.22 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.951 -1.093 . . . . 0.85 108.721 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.41 137.11 36.88 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.214 -0.929 . . . . 1.46 110.989 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -93.46 6.67 47.4 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.54 -0.725 . . . . 2.61 109.343 178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.594 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 15.5 t60 -77.95 -30.91 0.76 Allowed Pre-proline 0 N--CA 1.495 1.812 0 O-C-N 121.181 -0.949 . . . . 3.96 112.699 -177.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.6 Cg_exo -53.51 152.31 21.38 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 121.722 1.615 . . . . 1.14 111.744 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -78.0 176.83 9.52 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.779 2.32 . . . . 1.52 112.893 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.23 37.97 54.43 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.157 -1.177 . . . . 1.41 110.157 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.475 ' O ' ' CG2' ' A' ' 21' ' ' THR . 15.1 t -88.55 99.34 12.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.044 -1.268 . . . . 1.49 109.36 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -82.14 145.02 30.35 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.602 -0.888 . . . . 2.59 108.602 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 7.7 mmmm -106.77 72.36 0.3 Allowed Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 121.526 -0.734 . . . . 2.78 111.22 -178.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.88 136.79 33.55 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.548 1.498 . . . . 1.04 111.667 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.51 HH11 ' HG2' ' A' ' 25' ' ' ARG . 20.7 mtt-85 -72.51 -10.02 59.28 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.329 -0.857 . . . . 4.24 110.096 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -72.01 1.06 7.89 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.093 -1.004 . . . . 1.34 111.054 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -101.1 -26.84 13.55 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.712 -1.243 . . . . 1.23 109.503 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 p -111.07 -33.24 6.53 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.545 -0.722 . . . . 1.1 110.089 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' O ' ' OE1' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -61.13 -40.0 92.15 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.463 -0.773 . . . . 3.48 110.133 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.401 ' OG ' ' OP2' ' C' ' 114' ' ' ' DA' . 13.3 m -60.6 -30.81 70.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.353 -0.842 . . . . 1.04 109.224 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -90.34 134.83 34.06 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.442 -0.786 . . . . 1.3 109.803 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -115.02 148.91 41.59 Favored Pre-proline 0 N--CA 1.503 2.18 0 N-CA-C 108.755 -0.832 . . . . 2.67 108.755 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -37.38 155.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.242 0 C-N-CA 122.256 1.971 . . . . 0.74 112.878 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -147.89 132.93 18.21 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.349 -0.844 . . . . 1.08 110.149 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.0 m -112.4 145.61 39.82 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.579 -0.701 . . . . 1.17 109.642 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.29 129.67 54.7 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.123 -0.986 . . . . 0.42 108.522 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -78.58 -5.85 15.05 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 121.571 1.514 . . . . 1.16 112.932 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.1 mt -99.41 -43.71 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.225 -0.922 . . . . 1.19 110.539 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.5 p -126.95 19.15 7.14 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.204 -0.935 . . . . 0.5 110.33 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 52.93 14.48 0.45 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.465 -0.772 . . . . 1.1 111.727 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.02 139.94 53.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.541 -1.349 . . . . 1.08 108.233 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.7 t -94.46 116.83 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.061 -1.024 . . . . 1.14 109.993 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' ALA . 30.9 mm -111.92 129.99 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 106.777 -1.564 . . . . 1.07 106.777 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -75.45 -62.6 1.52 Allowed 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.557 -1.34 . . . . 2.82 109.935 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -80.97 133.16 35.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.908 -1.12 . . . . 1.62 110.603 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.8 p -63.99 -28.07 69.56 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.508 -0.745 . . . . 0.93 110.265 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -59.69 -40.04 86.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.543 -1.348 . . . . 1.04 108.358 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -70.8 -26.63 63.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.4 -0.813 . . . . 0.34 109.389 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.7 tp -57.96 -47.33 83.24 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 119.183 -1.007 . . . . 1.13 108.339 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.504 HH11 ' HG2' ' A' ' 50' ' ' ARG . 7.4 mmt-85 -59.03 -40.89 86.39 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.05 -1.031 . . . . 3.75 108.257 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -63.28 -39.27 94.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.444 -0.785 . . . . 0.51 109.195 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -61.16 -36.82 80.83 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.519 -0.738 . . . . 0.37 109.468 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.12 -44.68 96.97 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.929 -1.107 . . . . 1.12 109.447 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 92.3 mt-10 -70.85 -28.85 64.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.305 -0.872 . . . . 2.08 112.033 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.1 mt -85.91 -48.9 8.3 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.692 -1.255 . . . . 1.17 112.73 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.5 mmm180 -103.37 18.3 22.12 Favored 'General case' 0 N--CA 1.507 2.421 0 O-C-N 120.798 -1.189 . . . . 2.91 112.261 -177.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.488 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 95.3 m-70 -153.6 -76.7 0.11 Allowed 'General case' 0 N--CA 1.502 2.162 0 O-C-N 119.978 -1.702 . . . . 0.67 111.273 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -79.44 20.31 0.56 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.982 -1.074 . . . . 1.04 110.138 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -73.08 1.64 8.64 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 121.585 -0.697 . . . . 1.2 109.54 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -86.86 134.66 36.73 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.044 -1.035 . . . . 4.01 109.185 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -47.08 142.19 11.66 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 121.527 1.485 . . . . 2.6 111.597 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.06 -149.31 0.04 OUTLIER Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.998 -1.641 . . . . 3.27 108.998 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.496 1.831 0 O-C-N 121.219 -1.165 . . . . 5.54 109.904 -179.764 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.442 0 O4'-C1'-N19 110.462 3.327 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.545 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.689 0 O4'-C1'-N19 110.62 3.525 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.545 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.299 0 O4'-C1'-N19 110.884 3.855 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.488 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.569 0 O4'-C1'-N19 110.766 3.707 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.488 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.335 1 O4'-C1'-N19 111.739 4.923 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.42 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.331 0 O4'-C1'-N19 110.475 3.344 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.621 H2'' " O5'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.382 0 O4'-C1'-N19 110.465 3.332 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.621 " O5'" H2'' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.675 1 O4'-C1'-N19 111.4 4.5 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.549 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.533 0 C3'-C2'-C1' 106.801 2.929 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.549 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.401 0 O4'-C1'-N19 110.589 3.486 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.704 1 O4'-C1'-N19 111.44 4.549 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.464 0 O4'-C1'-N19 110.464 3.33 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.488 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.538 0 O4'-C1'-N19 110.77 3.713 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.514 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.941 0 O4'-C1'-N19 110.992 3.99 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.514 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.805 0 C3'-C2'-C1' 106.859 2.971 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.526 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.945 3.931 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.526 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.932 1 O4'-C1'-N19 112.122 5.403 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.451 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.594 1 O4'-C1'-N19 111.371 4.464 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.451 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.061 0 O4'-C1'-N19 110.646 3.558 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.557 1 O4'-C1'-N19 111.788 4.985 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.233 0 C3'-C2'-C1' 107.084 3.131 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.391 0 O4'-C1'-N19 110.655 3.569 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo . . . . . 0 N--CA 1.492 1.389 0 CA-C-O 121.274 0.447 . . . . 8.38 112.432 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -77.25 142.87 39.31 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.37 -0.831 . . . . 7.76 108.995 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.57 119.24 3.32 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.676 -0.861 . . . . 4.56 108.676 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -156.57 67.85 0.57 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.071 -1.018 . . . . 4.79 110.112 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -83.52 100.59 10.87 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.555 -1.341 . . . . 0.85 108.801 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.14 113.9 26.29 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.299 -0.876 . . . . 1.46 110.293 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -95.97 10.93 35.74 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.395 -0.816 . . . . 2.61 109.811 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.623 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 13.1 t60 -81.38 -28.9 0.49 Allowed Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.226 -0.921 . . . . 3.96 112.466 -179.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 76.5 Cg_exo -50.36 155.91 4.49 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 121.406 1.404 . . . . 1.14 111.006 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.03 179.94 3.98 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.019 1.813 . . . . 1.52 112.143 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.68 15.82 79.28 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.319 -1.512 . . . . 1.41 109.319 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.466 ' O ' ' CG2' ' A' ' 21' ' ' THR . 8.8 t -91.85 91.61 7.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.362 -1.081 . . . . 1.49 108.983 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -73.68 149.09 42.16 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.576 -0.702 . . . . 2.59 109.475 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -106.66 72.96 0.31 Allowed Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.474 -0.767 . . . . 2.78 110.464 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.25 141.73 63.92 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 121.775 1.65 . . . . 1.04 111.953 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -73.49 -6.51 46.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.131 -0.981 . . . . 4.24 110.113 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -72.02 -7.05 46.55 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.205 -0.935 . . . . 1.34 109.308 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.2 mmt-85 -104.29 -23.54 13.21 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.454 -0.779 . . . . 1.23 109.943 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 p -107.9 -36.47 6.36 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.368 -0.832 . . . . 1.1 109.182 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.97 -42.64 94.57 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.079 -1.013 . . . . 3.48 109.818 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.416 ' OG ' ' OP2' ' C' ' 114' ' ' ' DA' . 52.2 m -55.25 -30.09 59.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.041 -1.037 . . . . 1.04 109.932 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -92.79 137.39 32.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.131 -0.981 . . . . 1.3 109.758 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -117.15 153.66 49.81 Favored Pre-proline 0 N--CA 1.497 1.91 0 N-CA-C 108.278 -1.008 . . . . 2.67 108.278 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.08 153.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 121.414 1.409 . . . . 0.74 112.188 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.51 133.5 22.68 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.511 -0.743 . . . . 1.08 110.209 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.7 m -111.08 161.46 15.88 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.907 -0.775 . . . . 1.17 108.907 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.76 106.26 49.06 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.381 -0.825 . . . . 0.42 109.179 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.66 -5.78 0.33 Allowed 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 121.607 1.538 . . . . 1.16 112.793 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mt -97.9 -68.5 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 120.915 -1.116 . . . . 1.19 110.243 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.9 p -104.47 21.45 16.69 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.32 -0.862 . . . . 0.5 109.413 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 47.5 17.78 0.09 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.646 -0.659 . . . . 1.1 111.429 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.59 141.57 47.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.965 -1.084 . . . . 1.08 108.277 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 t -96.41 115.41 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 120.853 -1.154 . . . . 1.14 110.33 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.429 HD11 HG22 ' A' ' 43' ' ' ILE . 33.1 mm -110.96 124.52 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 N-CA-C 107.235 -1.394 . . . . 1.07 107.235 177.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -69.85 -56.81 6.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.635 -1.291 . . . . 2.82 110.173 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.446 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 95.2 mt-30 -83.2 134.62 34.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.1 -1.0 . . . . 1.62 110.806 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.6 p -64.48 -40.17 95.18 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.437 -0.79 . . . . 0.93 110.928 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -56.87 -36.79 70.48 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.56 -1.338 . . . . 1.04 108.937 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -68.83 -28.11 66.44 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.206 -0.934 . . . . 0.34 109.212 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.49 -46.55 88.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.937 -1.102 . . . . 1.13 109.138 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -57.36 -43.23 83.34 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.872 -1.158 . . . . 3.75 107.872 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -60.41 -38.82 85.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.404 -0.81 . . . . 0.51 109.424 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -60.63 -39.42 88.2 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.488 -0.758 . . . . 0.37 109.911 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.44 -40.47 86.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.909 -1.12 . . . . 1.12 109.173 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.454 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 66.8 mm-40 -74.35 -26.77 60.33 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.612 -0.68 . . . . 2.08 112.236 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.5 mt -92.69 -44.04 8.76 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.641 -1.287 . . . . 1.17 112.793 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 3.5 mmp_? -103.98 20.63 17.84 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 120.418 -1.426 . . . . 2.91 112.745 -178.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.5 m-70 -152.74 -69.36 0.15 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.052 -1.655 . . . . 0.67 111.553 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -78.94 -2.36 39.64 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.51 -1.369 . . . . 1.04 108.599 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -73.73 -2.1 21.94 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 109.0 -0.741 . . . . 1.2 109.0 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -89.0 136.08 30.97 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.091 -1.006 . . . . 4.01 109.233 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -45.72 168.05 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.013 1.809 . . . . 2.6 112.059 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -149.7 -71.14 0.01 OUTLIER Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.517 -1.433 . . . . 3.27 109.517 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.498 1.957 0 O-C-N 121.281 -1.129 . . . . 5.54 109.343 179.834 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 0 O4'-C1'-N19 110.712 3.639 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.641 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.474 0 O4'-C1'-N19 110.48 3.35 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.641 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.596 0 O4'-C1'-N19 110.666 3.582 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.354 0 O4'-C1'-N19 110.991 3.988 . . . . 0.4 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.413 ' C8 ' ' NE2' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.537 3.293 1 O4'-C1'-N19 111.333 4.416 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.247 0 O4'-C1'-N19 110.41 3.262 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.483 ' N7 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.819 3.773 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.513 ' N7 ' ' NH2' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.426 1 O4'-C1'-N19 111.459 4.574 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.542 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.531 0 O4'-C1'-N19 110.736 3.67 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.542 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.371 0 C3'-C2'-C1' 106.989 3.064 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.514 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.851 0 O4'-C1'-N19 110.479 3.348 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.965 0 O4'-C1'-N19 110.514 3.392 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.551 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.977 0 O4'-C1'-N19 110.285 3.106 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.551 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.729 1 O4'-C1'-N19 111.329 4.412 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.458 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.447 0 C3'-C2'-C1' 106.831 2.951 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.617 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.647 3.559 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.617 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.972 1 O4'-C1'-N19 111.085 4.107 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.606 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.214 1 O4'-C1'-N19 111.407 4.508 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.432 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.348 1 O4'-C1'-N19 111.108 4.135 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.556 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.98 1 O4'-C1'-N19 111.019 4.023 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.556 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.238 1 O4'-C1'-N19 111.397 4.496 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.06 0 O4'-C1'-N19 110.555 3.443 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo . . . . . 0 N--CA 1.491 1.38 0 CA-C-O 121.185 0.41 . . . . 8.38 111.62 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -79.85 5.57 13.36 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.244 -0.91 . . . . 7.76 108.824 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.57 -169.19 2.65 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.429 -0.794 . . . . 4.56 109.68 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -80.61 -143.97 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.365 -0.834 . . . . 4.79 110.093 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.7 mtt-85 -81.56 104.2 11.81 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.477 -0.764 . . . . 0.85 109.96 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.89 111.7 22.83 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.464 -0.773 . . . . 1.46 110.676 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -93.4 10.02 33.98 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.303 -0.873 . . . . 2.61 108.968 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.625 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 9.8 m170 -82.96 -30.32 0.48 Allowed Pre-proline 0 N--CA 1.497 1.888 0 N-CA-C 113.48 0.919 . . . . 3.96 113.48 -177.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.2 Cg_exo -52.04 145.55 33.1 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 121.941 1.761 . . . . 1.14 112.924 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.57 167.7 26.5 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.327 2.018 . . . . 1.52 112.025 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.28 28.7 61.46 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.612 -1.395 . . . . 1.41 109.612 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.444 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.2 t -91.65 87.2 6.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.936 -1.332 . . . . 1.49 109.572 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -84.34 139.16 32.47 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.19 -0.944 . . . . 2.59 109.643 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -86.31 116.25 65.13 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.872 . . . . 2.78 109.732 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -86.07 139.63 6.35 Favored 'Trans proline' 0 C--N 1.316 -1.174 0 C-N-CA 122.002 1.801 . . . . 1.04 110.877 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 25' ' ' ARG . 30.1 mtt-85 -67.32 -22.92 65.59 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 121.198 -0.939 . . . . 4.24 109.978 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.2 m -66.44 -12.5 57.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.072 -1.017 . . . . 1.34 111.025 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.525 ' CG ' HH11 ' A' ' 27' ' ' ARG . 0.1 OUTLIER -93.35 -19.31 21.46 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.498 -1.377 . . . . 1.23 110.853 -179.513 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.3 p -111.57 -40.32 4.38 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.008 -1.057 . . . . 1.1 109.83 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -59.79 -33.24 71.46 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.027 -1.045 . . . . 3.48 109.195 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.2 m -59.61 -37.76 79.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.336 -0.852 . . . . 1.04 109.964 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.538 ' OE2' ' NH2' ' A' ' 47' ' ' ARG . 67.3 mm-40 -86.86 137.3 32.52 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.905 -1.122 . . . . 1.3 109.029 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -110.26 149.67 40.47 Favored Pre-proline 0 N--CA 1.502 2.163 0 N-CA-C 108.235 -1.024 . . . . 2.67 108.235 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -38.09 154.9 0.03 OUTLIER 'Trans proline' 0 N--CA 1.486 1.072 0 C-N-CA 122.087 1.858 . . . . 0.74 111.527 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.96 128.82 16.35 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.161 -0.962 . . . . 1.08 110.451 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.0 m -112.24 153.26 27.38 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.483 0.659 . . . . 1.17 109.368 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.1 t -91.82 127.39 50.12 Favored Pre-proline 0 N--CA 1.492 1.657 0 N-CA-C 108.677 -0.86 . . . . 0.42 108.677 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.16 -5.01 15.83 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 121.42 1.414 . . . . 1.16 112.419 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -98.09 -42.07 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.179 -0.95 . . . . 1.19 110.384 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.6 21.62 4.29 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.454 -0.779 . . . . 0.5 110.669 -178.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 51.43 18.01 0.61 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.249 -0.907 . . . . 1.1 111.886 178.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.7 132.87 54.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.632 -1.292 . . . . 1.08 108.045 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.24 109.68 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 120.832 -1.168 . . . . 1.14 110.364 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.9 mm -110.53 125.15 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 107.991 -1.114 . . . . 1.07 107.991 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.505 HH11 ' HG2' ' A' ' 44' ' ' ARG . 22.0 mtt-85 -67.76 -57.3 6.58 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.084 -1.01 . . . . 2.82 111.223 -178.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.413 ' NE2' ' C8 ' ' B' ' 105' ' ' ' DA' . 93.9 mt-30 -80.06 133.87 36.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.019 -1.05 . . . . 1.62 110.377 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.5 p -63.45 -36.9 85.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.192 -0.942 . . . . 0.93 109.372 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.538 ' NH2' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.4 -40.28 86.1 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.013 -1.054 . . . . 1.04 109.667 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -65.68 -30.37 71.05 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.086 -1.009 . . . . 0.34 109.229 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.23 -47.16 87.16 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.119 -0.988 . . . . 1.13 110.195 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -56.98 -40.58 76.8 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.525 -1.36 . . . . 3.75 108.146 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.41 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 39.2 ttp180 -60.79 -39.75 90.07 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.935 -0.765 . . . . 0.51 108.935 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -62.11 -35.17 77.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.567 -0.708 . . . . 0.37 109.793 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.79 -46.76 88.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.14 -0.975 . . . . 1.12 109.528 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.405 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 49.2 mt-10 -72.57 -17.13 61.73 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.277 -0.889 . . . . 2.08 111.984 -179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.16 -47.08 7.12 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.375 -1.453 . . . . 1.17 112.923 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.495 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 21.4 mmm180 -106.37 15.09 26.52 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 120.653 -1.28 . . . . 2.91 112.516 -177.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.495 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 87.5 m-70 -150.9 -74.25 0.15 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.281 -1.512 . . . . 0.67 111.006 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -78.88 13.19 1.81 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.248 -0.907 . . . . 1.04 108.925 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 57' ' ' HIS . . . -67.76 -3.06 8.23 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.385 -0.822 . . . . 1.2 109.1 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -90.06 153.96 47.13 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 121.328 -0.858 . . . . 4.01 109.141 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -49.37 152.05 6.18 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.438 1.425 . . . . 2.6 111.881 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.29 179.18 12.14 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.688 -1.365 . . . . 3.27 109.688 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 117.76 -1.114 . . . . 5.54 108.727 179.716 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.644 0 O4'-C1'-N19 110.367 3.208 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.436 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.335 0 C3'-C2'-C1' 107.018 3.084 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.579 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.101 0 O4'-C1'-N19 110.459 3.324 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.579 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.692 1 O4'-C1'-N19 111.446 4.558 . . . . 0.4 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.408 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.404 1 O4'-C1'-N19 111.42 4.525 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.413 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.245 0 C3'-C2'-C1' 107.106 3.147 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.529 H2'' " O5'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.264 1 O4'-C1'-N19 111.332 4.415 . . . . 0.73 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.529 " O5'" H2'' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.763 1 O4'-C1'-N19 111.045 4.056 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.633 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.403 0 O4'-C1'-N19 110.382 3.227 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.633 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.773 0 C3'-C2'-C1' 106.884 2.989 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.555 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.833 0 O4'-C1'-N19 110.949 3.936 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.144 0 C3'-C2'-C1' 106.979 3.056 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.53 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.54 0 O4'-C1'-N19 110.268 3.085 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.53 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.937 1 O4'-C1'-N19 111.051 4.064 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.499 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.6 0 C3'-C2'-C1' 106.913 3.009 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.499 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.964 0 O4'-C1'-N19 110.637 3.547 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.494 ' OP1' " H4'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.26 1 O4'-C1'-N19 112.108 5.386 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.406 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.075 1 O4'-C1'-N19 111.011 4.014 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.511 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 111.015 4.019 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.511 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.996 1 O4'-C1'-N19 111.212 4.265 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.662 0 O4'-C1'-N19 110.592 3.489 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . 0.408 " O5'" ' H6 ' ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.465 0 O4'-C1'-N19 110.46 3.325 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 N--CA 1.494 1.509 0 CA-C-O 121.498 0.541 . . . . 8.38 112.398 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -149.06 -48.73 0.15 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.571 -0.706 . . . . 7.76 109.244 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.86 111.96 2.57 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.45 -0.781 . . . . 4.56 109.375 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -154.03 17.11 0.5 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.053 -1.029 . . . . 4.79 110.114 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -84.56 97.63 9.69 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.774 -1.204 . . . . 0.85 108.895 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.36 122.47 40.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.602 -0.686 . . . . 1.46 109.206 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -94.62 4.17 54.17 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.287 -0.883 . . . . 2.61 109.816 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.608 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 55.0 t-80 -80.02 -32.75 0.73 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.379 -0.825 . . . . 3.96 112.575 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 50.8 Cg_exo -53.66 145.23 49.63 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 121.935 1.756 . . . . 1.14 112.487 -178.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -75.92 171.54 17.96 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.451 2.101 . . . . 1.52 113.194 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.71 24.69 66.73 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.123 -1.191 . . . . 1.41 110.123 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 t -88.48 91.99 9.01 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.866 -1.373 . . . . 1.49 108.89 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -78.45 148.67 33.46 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.528 -0.733 . . . . 2.59 110.27 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -106.3 75.9 0.38 Allowed Pre-proline 0 N--CA 1.501 2.12 0 O-C-N 121.367 -0.833 . . . . 2.78 110.247 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -61.11 143.28 98.83 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.235 1.29 . . . . 1.04 111.494 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.466 HH11 ' HG2' ' A' ' 25' ' ' ARG . 21.5 mtt-85 -71.84 -9.83 58.89 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.455 -0.778 . . . . 4.24 109.766 -179.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 m -73.02 -6.21 43.98 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.171 -0.956 . . . . 1.34 110.019 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.513 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 23.7 mmt180 -109.99 -26.68 9.6 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.327 -0.858 . . . . 1.23 110.753 -178.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 p -106.08 -33.82 7.75 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.208 -0.933 . . . . 1.1 109.171 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -58.98 -39.58 82.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.027 -1.046 . . . . 3.48 108.731 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.5 m -59.02 -20.26 51.48 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.036 -1.04 . . . . 1.04 109.662 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -88.02 134.33 33.76 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.116 -0.99 . . . . 1.3 110.732 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -116.19 152.87 48.34 Favored Pre-proline 0 N--CA 1.504 2.238 0 N-CA-C 108.937 -0.764 . . . . 2.67 108.937 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.85 150.23 23.52 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 121.757 1.638 . . . . 0.74 111.281 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -141.04 132.43 26.76 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.576 -0.703 . . . . 1.08 110.019 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -115.72 141.36 48.19 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.558 -0.714 . . . . 1.17 109.719 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.9 t -77.51 129.39 77.32 Favored Pre-proline 0 N--CA 1.493 1.701 0 N-CA-C 108.616 -0.883 . . . . 0.42 108.616 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -79.85 -6.93 14.4 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.207 1.271 . . . . 1.16 111.908 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.7 mt -97.3 -53.38 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.453 -0.779 . . . . 1.19 110.39 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.4 p -117.59 21.68 12.85 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.494 -0.754 . . . . 0.5 110.864 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 48.6 16.0 0.1 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.197 -0.939 . . . . 1.1 111.689 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.18 136.63 57.3 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.593 -1.317 . . . . 1.08 107.469 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.13 112.91 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.022 -1.049 . . . . 1.14 110.413 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.428 HD11 HG22 ' A' ' 43' ' ' ILE . 32.8 mm -108.99 129.4 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 107.712 -1.218 . . . . 1.07 107.712 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 44' ' ' ARG . 21.0 mtt-85 -74.98 -56.82 4.36 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.629 -1.294 . . . . 2.82 110.656 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.492 ' OE1' ' NE ' ' A' ' 47' ' ' ARG . 93.5 mt-30 -80.42 136.18 36.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.611 -1.305 . . . . 1.62 110.343 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.52 ' HG ' ' N ' ' A' ' 47' ' ' ARG . 51.9 p -67.89 -36.61 80.54 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.361 -0.837 . . . . 0.93 110.052 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.52 ' N ' ' HG ' ' A' ' 46' ' ' SER . 21.6 ptt180 -58.48 -38.56 77.88 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.618 -1.301 . . . . 1.04 108.944 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.49 -35.83 81.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.155 -0.966 . . . . 0.34 108.97 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.8 tp -52.2 -45.56 65.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.062 -1.024 . . . . 1.13 109.161 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -60.12 -40.32 89.32 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.671 -1.233 . . . . 3.75 107.671 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -64.38 -36.41 84.06 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.415 0.626 . . . . 0.51 109.529 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -62.41 -38.75 90.89 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.481 -0.762 . . . . 0.37 109.958 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.74 -42.08 92.39 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.024 -1.048 . . . . 1.12 109.032 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -73.33 -20.48 60.78 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.888 -1.132 . . . . 2.08 111.161 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.3 mt -84.37 -60.08 2.19 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.707 -1.246 . . . . 1.17 112.835 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.4 mmm180 -105.85 27.91 8.06 Favored 'General case' 0 N--CA 1.511 2.587 0 O-C-N 120.694 -1.254 . . . . 2.91 112.522 -176.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.9 m-70 -151.97 -75.86 0.13 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.139 -1.601 . . . . 0.67 110.93 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -75.96 5.42 6.57 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.144 -0.972 . . . . 1.04 110.046 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.41 -3.77 19.23 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.315 -0.866 . . . . 1.2 109.844 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -86.35 151.09 53.15 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.118 -0.989 . . . . 4.01 108.471 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -73.72 142.79 32.74 Favored 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 121.531 1.487 . . . . 2.6 110.802 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.6 147.51 42.95 Favored Glycine 0 N--CA 1.484 1.841 0 N-CA-C 109.72 -1.352 . . . . 3.27 109.72 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.498 1.931 0 O-C-N 121.363 -1.081 . . . . 5.54 109.133 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.417 H2'' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.274 0 O4'-C1'-N19 110.663 3.578 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.532 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.309 0 O4'-C1'-N19 110.398 3.247 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.532 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.34 0 O4'-C1'-N19 110.157 2.946 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.456 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.006 1 O4'-C1'-N19 111.683 4.853 . . . . 0.4 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.524 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.54 3.629 0 O4'-C1'-N19 110.81 3.763 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.55 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.808 0 C3'-C2'-C1' 106.928 3.02 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.55 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.261 0 O4'-C1'-N19 110.827 3.783 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.472 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.887 0 O4'-C1'-N19 110.639 3.548 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.58 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.687 0 O4'-C1'-N19 110.653 3.566 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.58 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.835 0 C3'-C2'-C1' 107.411 3.365 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.841 0 O4'-C1'-N19 110.969 3.961 . . . . 0.96 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.898 1 O4'-C1'-N19 111.064 4.08 . . . . 0.95 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.418 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.021 0 C3'-C2'-C1' 106.939 3.028 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.418 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C1'-N19 110.625 3.531 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.424 ' OP2' ' OE2' ' A' ' 31' ' ' GLU . . . . . . . . 1 C5'--C4' 1.544 4.109 0 O4'-C1'-N19 110.053 2.816 . . . . 0.58 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.543 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.549 0 C3'-C2'-C1' 107.098 3.142 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.543 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.499 1 O4'-C1'-N19 111.185 4.231 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.456 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.251 1 O4'-C1'-N19 111.811 5.014 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.106 0 O4'-C1'-N19 110.204 3.004 . . . . 0.64 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.513 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.138 1 O4'-C1'-N19 111.249 4.311 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.513 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.542 3.886 1 O4'-C1'-N19 111.279 4.349 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.814 0 O4'-C1'-N19 110.379 3.224 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo . . . . . 0 N--CA 1.49 1.273 0 CA-C-O 121.115 0.381 . . . . 8.38 111.942 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' HZ1' ' CB ' ' A' ' 11' ' ' LYS . 8.7 mtmp? -88.46 -72.78 0.52 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.603 -0.686 . . . . 7.76 109.941 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.93 12.33 0.15 Allowed 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.654 -0.869 . . . . 4.56 108.654 -179.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -80.5 161.55 24.79 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.641 -0.662 . . . . 4.79 109.439 -179.536 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.471 ' NH1' ' N3 ' ' B' ' 107' ' ' ' DA' . 18.4 mtt-85 -83.53 103.51 12.93 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.217 -0.927 . . . . 0.85 110.514 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.32 124.6 43.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.294 -0.879 . . . . 1.46 109.586 178.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -93.85 5.41 51.74 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.427 -0.795 . . . . 2.61 110.01 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.606 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 28.6 t-80 -78.85 -31.42 0.73 Allowed Pre-proline 0 C--N 1.3 -1.572 0 O-C-N 120.891 -1.131 . . . . 3.96 112.466 -178.272 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 71.7 Cg_exo -49.75 147.8 13.27 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 121.779 1.653 . . . . 1.14 111.458 -178.471 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.18 171.09 18.69 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.982 1.788 . . . . 1.52 112.333 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.62 24.99 61.53 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 110.609 -0.996 . . . . 1.41 110.609 179.379 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.96 88.61 7.38 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.751 -1.441 . . . . 1.49 109.479 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -77.76 150.39 34.37 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 121.148 -0.97 . . . . 2.59 109.367 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -107.12 69.5 0.25 Allowed Pre-proline 0 N--CA 1.503 2.213 0 O-C-N 121.259 -0.9 . . . . 2.78 110.692 179.19 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -65.13 141.77 71.11 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 121.289 1.326 . . . . 1.04 110.696 178.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -71.77 -3.88 24.56 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.134 -0.979 . . . . 4.24 109.861 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 m -70.16 -4.93 23.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.428 -0.795 . . . . 1.34 110.491 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.401 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 16.8 mmt180 -103.3 -26.63 12.87 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.873 -1.142 . . . . 1.23 109.678 -179.09 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.3 p -101.87 -36.81 8.52 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.203 -0.935 . . . . 1.1 110.022 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -60.87 -31.6 71.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.447 -0.783 . . . . 3.48 110.086 -179.018 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.2 m -58.79 -32.97 69.81 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.319 -0.863 . . . . 1.04 108.845 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' OE2' ' OP2' ' C' ' 115' ' ' ' DC' . 76.7 mm-40 -89.72 151.57 21.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.176 -0.953 . . . . 1.3 110.595 -179.371 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.618 ' N ' ' NE2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -118.04 156.06 50.67 Favored Pre-proline 0 N--CA 1.497 1.878 0 N-CA-C 108.022 -1.103 . . . . 2.67 108.022 178.593 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -47.46 157.45 0.81 Allowed 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.527 1.485 . . . . 0.74 111.635 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.25 136.16 26.15 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.987 -1.071 . . . . 1.08 110.498 -179.435 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.7 m -117.77 146.94 43.45 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 108.719 -0.845 . . . . 1.17 108.719 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -86.21 129.22 54.54 Favored Pre-proline 0 C--N 1.296 -1.721 0 O-C-N 121.382 -0.824 . . . . 0.42 109.145 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.08 -2.55 12.64 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 120.938 1.092 . . . . 1.16 112.488 -179.479 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.2 mt -99.75 -56.21 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.241 -0.912 . . . . 1.19 110.386 -179.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.1 p -114.7 14.54 17.55 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.602 -0.686 . . . . 0.5 110.243 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 55.5 18.19 2.57 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.173 -0.954 . . . . 1.1 110.936 179.284 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.39 141.02 43.66 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.634 -1.247 . . . . 1.08 107.634 178.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.7 t -96.79 112.78 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.68 -1.263 . . . . 1.14 110.125 -178.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.1 mm -110.23 130.45 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 N-CA-C 108.17 -1.048 . . . . 1.07 108.17 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -75.83 -63.4 1.31 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.67 -1.269 . . . . 2.82 109.782 -178.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.524 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 98.4 mt-30 -77.86 133.05 38.22 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.33 -0.856 . . . . 1.62 111.042 -179.704 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.8 p -62.18 -35.81 79.96 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.551 -0.718 . . . . 0.93 111.377 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.3 ptp180 -58.22 -39.61 79.51 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.546 -1.346 . . . . 1.04 108.746 -179.376 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.404 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 88.4 m-20 -67.76 -30.09 69.46 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.499 -0.75 . . . . 0.34 109.57 179.476 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.81 -44.75 86.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.048 -1.033 . . . . 1.13 109.15 -179.48 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -61.7 -39.18 90.58 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.752 -1.218 . . . . 3.75 108.403 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -65.53 -36.33 83.5 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.693 0.759 . . . . 0.51 109.466 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -63.32 -32.6 74.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.352 -0.843 . . . . 0.37 110.14 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 58' ' ' PHE . 90.0 mt -65.72 -40.81 92.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.542 -1.349 . . . . 1.12 109.371 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -72.13 -27.85 62.88 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.419 -0.8 . . . . 2.08 111.192 -179.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.0 mt -91.05 -21.28 21.32 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.647 -1.283 . . . . 1.17 113.297 -177.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.536 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 24.6 mmm180 -127.01 -0.95 6.54 Favored 'General case' 0 N--CA 1.513 2.712 0 O-C-N 120.663 -1.273 . . . . 2.91 112.246 -178.15 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 53.0 m-70 -146.69 -63.33 0.3 Allowed 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.036 -1.665 . . . . 0.67 110.237 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 53' ' ' LEU . 29.1 m-85 -78.37 17.15 0.68 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.185 -0.947 . . . . 1.04 108.642 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 57' ' ' HIS . . . -70.61 -3.72 19.68 Favored 'General case' 0 C--N 1.297 -1.71 0 C-N-CA 119.827 -0.749 . . . . 1.2 109.353 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -90.69 150.09 41.74 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.269 -0.894 . . . . 4.01 109.503 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.54 161.15 39.64 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 121.894 1.729 . . . . 2.6 112.254 179.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.51 -173.63 17.93 Favored Glycine 0 N--CA 1.488 2.112 0 N-CA-C 110.092 -1.203 . . . . 3.27 110.092 -179.432 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 N--CA 1.502 2.125 0 CA-C-O 117.931 -1.033 . . . . 5.54 109.862 -179.929 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 0 O4'-C1'-N19 110.903 3.878 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.473 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.744 0 O4'-C1'-N19 110.917 3.896 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.473 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.363 0 O4'-C1'-N19 110.682 3.602 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.446 ' C2 ' ' C2 ' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.862 0 O4'-C1'-N19 110.897 3.872 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.446 ' C2 ' ' C2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 P--O5' 1.608 1.534 1 O4'-C1'-N19 111.3 4.375 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.43 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.297 0 C3'-C2'-C1' 107.206 3.219 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.541 ' N3 ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.25 1 O4'-C1'-N19 111.42 4.525 . . . . 0.73 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.507 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.781 0 O4'-C1'-N19 110.599 3.499 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.517 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.094 0 C3'-C2'-C1' 106.876 2.983 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.517 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.85 0 C3'-C2'-C1' 106.999 3.071 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.452 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.368 0 O4'-C1'-N19 110.577 3.471 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.891 3.864 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.619 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.741 0 C3'-C2'-C1' 107.023 3.088 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.619 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.832 1 O4'-C1'-N19 111.043 4.054 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.456 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.856 0 C3'-C2'-C1' 106.806 2.933 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.511 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O4'-C1'-N19 110.426 3.282 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.511 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.735 1 O4'-C1'-N19 111.144 4.18 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.438 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.939 1 O4'-C1'-N19 111.158 4.198 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.425 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.506 1 O4'-C1'-N19 111.003 4.004 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.425 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.406 1 O4'-C1'-N19 111.472 4.59 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.41 ' C5 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.544 4.112 0 O4'-C1'-N19 110.889 3.861 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.866 0 O4'-C1'-N19 110.546 3.432 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo . . . . . 0 N--CA 1.493 1.457 0 CA-C-O 121.541 0.559 . . . . 8.38 112.038 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -82.63 132.11 35.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.456 -0.777 . . . . 7.76 109.177 179.27 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.52 115.58 2.83 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.418 -0.801 . . . . 4.56 109.343 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' CD ' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -83.41 130.65 35.05 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.967 -1.083 . . . . 4.79 108.522 179.189 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.541 ' NH2' ' N3 ' ' B' ' 107' ' ' ' DA' . 54.2 mtp180 -87.45 93.62 9.46 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.379 -0.971 . . . . 0.85 108.379 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.62 133.68 34.94 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.462 -0.774 . . . . 1.46 110.216 -179.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -89.0 16.18 7.44 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.978 -0.749 . . . . 2.61 108.978 178.639 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 13.7 t60 -80.8 -31.43 0.61 Allowed Pre-proline 0 N--CA 1.495 1.804 0 O-C-N 121.226 -0.921 . . . . 3.96 112.383 -178.375 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 82.0 Cg_exo -51.24 141.69 38.63 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 121.963 1.775 . . . . 1.14 111.964 -178.85 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.5 174.86 12.15 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.256 1.971 . . . . 1.52 111.423 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.57 25.38 63.15 Favored Glycine 0 N--CA 1.491 2.347 0 C-N-CA 119.909 -1.139 . . . . 1.41 110.533 179.034 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.34 93.12 8.9 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.25 -1.147 . . . . 1.49 108.568 179.135 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.98 154.59 39.24 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.533 -0.914 . . . . 2.59 108.533 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -105.93 71.86 0.25 Allowed Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 121.405 -0.809 . . . . 2.78 110.349 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -69.6 136.46 33.48 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.694 1.596 . . . . 1.04 110.372 179.238 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.517 HH11 ' HG2' ' A' ' 25' ' ' ARG . 18.0 mtt-85 -73.84 -6.16 45.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.096 -1.003 . . . . 4.24 110.619 -179.146 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -73.95 -7.64 53.11 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.334 -0.854 . . . . 1.34 111.412 -179.031 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.507 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 27.6 mmt180 -98.89 -26.94 14.12 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.865 -1.147 . . . . 1.23 109.432 -179.377 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 p -105.27 -44.19 4.81 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.281 -0.887 . . . . 1.1 109.511 179.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -57.12 -34.2 68.13 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.39 -0.819 . . . . 3.48 109.891 -178.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.5 m -55.33 -29.99 59.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.916 -1.115 . . . . 1.04 109.606 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.526 ' CG ' HH21 ' A' ' 47' ' ' ARG . 72.8 mm-40 -93.73 143.77 26.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.901 -1.124 . . . . 1.3 110.604 -179.179 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -115.95 150.49 45.12 Favored Pre-proline 0 N--CA 1.501 2.08 0 N-CA-C 108.843 -0.799 . . . . 2.67 108.843 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -37.23 157.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.445 2.096 . . . . 0.74 112.4 -179.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.88 134.63 16.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.214 -0.929 . . . . 1.08 110.964 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.436 ' CG2' ' N ' ' A' ' 36' ' ' CYS . 98.5 m -115.71 162.06 17.81 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.415 -0.803 . . . . 1.17 110.089 179.222 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.436 ' N ' ' CG2' ' A' ' 35' ' ' THR . 7.8 t -105.22 102.9 39.35 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.547 -0.72 . . . . 0.42 109.643 179.583 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -55.66 -2.94 0.34 Allowed 'Trans proline' 0 N--CA 1.504 2.136 0 C-N-CA 122.194 1.93 . . . . 1.16 113.737 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 89.4 mt -98.01 -55.13 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.834 -1.166 . . . . 1.19 110.278 -179.448 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.9 p -115.92 6.48 14.22 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.472 -0.768 . . . . 0.5 109.506 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 61.78 22.99 13.42 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 122.069 -0.394 . . . . 1.1 111.81 178.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.57 135.62 57.81 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.929 -1.137 . . . . 1.08 107.929 177.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.3 109.67 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.079 -1.013 . . . . 1.14 109.613 -179.443 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mm -110.88 129.35 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 107.881 -1.155 . . . . 1.07 107.881 178.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.494 HH11 ' HG2' ' A' ' 44' ' ' ARG . 25.3 mtt-85 -73.13 -61.8 1.69 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.944 -1.097 . . . . 2.82 110.35 -178.78 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -76.34 135.65 39.54 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.647 -1.283 . . . . 1.62 110.181 -179.513 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.7 p -67.23 -36.78 82.38 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.605 -0.685 . . . . 0.93 110.587 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.526 HH21 ' CG ' ' A' ' 31' ' ' GLU . 11.9 ptp180 -58.2 -37.65 75.22 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.094 -1.004 . . . . 1.04 108.938 -179.17 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.25 -32.28 71.38 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.374 -0.829 . . . . 0.34 110.215 179.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.0 tp -56.81 -46.37 81.65 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.767 -1.208 . . . . 1.13 109.185 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -56.84 -40.02 75.32 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 107.857 -1.164 . . . . 3.75 107.857 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -63.74 -40.4 96.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.373 -0.829 . . . . 0.51 108.907 178.635 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -59.47 -38.53 81.02 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.546 -0.721 . . . . 0.37 109.102 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 58' ' ' PHE . 88.8 mt -57.6 -40.54 79.33 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.941 -1.099 . . . . 1.12 108.834 179.432 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 76.5 mm-40 -72.17 -19.74 61.71 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.314 -0.866 . . . . 2.08 110.792 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.7 mt -83.88 -57.69 3.1 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.752 -1.218 . . . . 1.17 112.604 -178.11 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.593 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 22.7 mmm180 -105.81 9.64 32.85 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.827 -1.171 . . . . 2.91 112.638 -176.623 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 31.0 m-70 -143.72 -70.6 0.31 Allowed 'General case' 0 N--CA 1.511 2.613 0 O-C-N 120.571 -1.331 . . . . 0.67 110.675 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 53' ' ' LEU . 31.6 m-85 -80.74 22.42 0.6 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.175 -0.953 . . . . 1.04 109.543 -179.458 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -74.26 14.28 0.46 Allowed 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.481 -0.762 . . . . 1.2 110.213 -179.782 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' A' ' 58' ' ' PHE . 58.5 mmtt -85.9 144.82 39.88 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.108 -0.995 . . . . 4.01 109.258 -179.743 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -47.16 168.45 0.06 OUTLIER 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 121.53 1.487 . . . . 2.6 111.727 178.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -122.93 140.04 12.85 Favored Glycine 0 N--CA 1.498 2.816 0 N-CA-C 109.561 -1.415 . . . . 3.27 109.561 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 N--CA 1.505 2.318 0 CA-C-O 117.694 -1.146 . . . . 5.54 109.916 -179.972 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C1'-N19 110.295 3.119 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.434 3.292 . . . . 0.77 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.42 ' C5 ' ' NH2' ' A' ' 51' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.488 0 O4'-C1'-N19 110.707 3.633 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.997 0 O4'-C1'-N19 110.686 3.607 . . . . 0.4 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.898 1 O4'-C1'-N19 111.09 4.112 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.548 0 C3'-C2'-C1' 106.948 3.034 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 0 C3'-C2'-C1' 106.827 2.948 . . . . 0.73 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.401 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.726 1 O4'-C1'-N19 111.07 4.088 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.708 0 O4'-C1'-N19 110.832 3.79 . . . . 1.25 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.55 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.774 0 O4'-C1'-N19 110.783 3.729 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.55 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.718 3.647 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 1 O4'-C1'-N19 111.337 4.421 . . . . 0.95 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.553 ' H71' ' OP2' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.604 0 C3'-C2'-C1' 106.981 3.058 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.408 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.2 0 O4'-C1'-N19 110.829 3.787 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.741 0 C3'-C2'-C1' 106.709 2.863 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.99 3.988 . . . . 1.1 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.517 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 111.019 4.023 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.517 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.308 1 O4'-C1'-N19 111.79 4.987 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.566 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.049 4.062 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.566 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.827 1 O4'-C1'-N19 111.253 4.316 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.511 0 O4'-C1'-N19 110.478 3.347 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 0 O4'-C1'-N19 110.345 3.181 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo . . . . . 0 N--CA 1.498 1.756 0 CA-C-O 121.432 0.513 . . . . 8.38 111.723 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -79.5 145.8 33.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.571 -0.706 . . . . 7.76 109.62 179.585 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.9 -5.62 0.07 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.315 -0.866 . . . . 4.56 109.461 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -82.4 178.19 8.36 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.144 -0.973 . . . . 4.79 108.947 179.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -80.99 97.8 7.64 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.323 -0.861 . . . . 0.85 108.839 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.0 136.82 32.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.508 -0.745 . . . . 1.46 110.341 -179.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -90.51 9.34 29.76 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.758 -0.83 . . . . 2.61 108.758 179.106 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.61 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.5 t60 -81.22 -30.2 0.54 Allowed Pre-proline 0 N--CA 1.501 2.096 0 N-CA-C 113.484 0.92 . . . . 3.96 113.484 -177.519 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 56.8 Cg_exo -53.32 144.51 49.03 Favored 'Trans proline' 0 N--CA 1.501 1.942 0 C-N-CA 122.444 2.096 . . . . 1.14 113.056 -178.397 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.76 175.43 10.31 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.502 2.135 . . . . 1.52 112.059 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.2 27.04 64.78 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.081 -1.207 . . . . 1.41 110.081 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.56 96.18 10.52 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.96 -1.318 . . . . 1.49 108.85 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -72.46 152.0 42.21 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.226 -0.921 . . . . 2.59 109.26 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HZ2' ' CA ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -106.1 76.41 0.38 Allowed Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 121.488 -0.757 . . . . 2.78 111.524 -178.459 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.76 132.98 17.88 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 121.143 1.229 . . . . 1.04 111.084 178.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' A' ' 25' ' ' ARG . 5.2 mmt-85 -76.49 -6.61 52.52 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.328 -0.857 . . . . 4.24 109.637 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.4 m -72.73 -7.51 50.9 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.136 -0.978 . . . . 1.34 109.905 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.449 HH11 ' HG2' ' A' ' 27' ' ' ARG . 7.6 mmt-85 -95.93 -29.18 14.31 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.123 -0.985 . . . . 1.23 110.608 -179.259 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 p -107.2 -43.63 4.55 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.291 -0.881 . . . . 1.1 109.775 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.95 -39.82 86.88 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.098 -1.001 . . . . 3.48 109.243 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -56.59 -27.58 58.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.475 -0.765 . . . . 1.04 110.016 -179.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -89.31 146.99 24.34 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.054 -1.029 . . . . 1.3 109.52 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -121.61 151.92 57.72 Favored Pre-proline 0 N--CA 1.507 2.398 0 O-C-N 121.257 -0.902 . . . . 2.67 109.4 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -43.91 153.42 0.29 Allowed 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.969 1.779 . . . . 0.74 112.584 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -142.48 134.28 26.95 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.279 -0.888 . . . . 1.08 110.271 179.779 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.9 m -115.55 142.33 46.86 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.677 0.751 . . . . 1.17 109.605 179.373 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.5 t -79.69 132.82 60.26 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.403 -0.962 . . . . 0.42 108.403 179.124 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.81 -8.34 15.68 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 121.537 1.492 . . . . 1.16 111.953 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -96.63 -56.17 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.292 -0.88 . . . . 1.19 110.995 -178.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.6 p -115.97 19.19 15.21 Favored 'General case' 0 N--CA 1.508 2.472 0 O-C-N 121.248 -0.907 . . . . 0.5 111.274 -178.624 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 53.4 20.2 1.9 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.955 -1.09 . . . . 1.1 111.453 178.549 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.5 141.2 55.32 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 106.66 -1.607 . . . . 1.08 106.66 177.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.3 t -97.42 115.87 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 120.837 -1.164 . . . . 1.14 109.756 -179.336 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.537 ' O ' ' N ' ' A' ' 34' ' ' ALA . 38.8 mm -110.84 130.75 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 108.163 -1.051 . . . . 1.07 108.163 179.033 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -75.78 -64.3 1.11 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.664 -1.273 . . . . 2.82 110.662 -178.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -79.71 138.52 37.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.022 -1.049 . . . . 1.62 109.962 -179.514 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.485 ' HG ' ' N ' ' A' ' 47' ' ' ARG . 33.5 p -63.01 -38.93 93.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.172 -0.955 . . . . 0.93 109.895 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.485 ' N ' ' HG ' ' A' ' 46' ' ' SER . 12.2 ptp180 -51.39 -41.82 60.97 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.812 -1.18 . . . . 1.04 109.525 -179.462 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.445 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 93.3 m-20 -67.29 -27.67 67.37 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.435 -0.791 . . . . 0.34 110.022 179.586 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.22 -46.58 88.08 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.994 -1.066 . . . . 1.13 108.985 -179.104 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -59.95 -40.0 87.51 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 119.097 -1.041 . . . . 3.75 108.809 179.685 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 45.0 ttp180 -65.91 -31.4 72.3 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.549 -0.861 . . . . 0.51 109.779 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -65.86 -40.77 91.98 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.313 -0.867 . . . . 0.37 109.704 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.09 -39.21 85.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.246 -0.909 . . . . 1.12 109.281 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 94.3 mt-10 -71.36 -28.71 64.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.511 -0.743 . . . . 2.08 112.119 -178.919 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -91.69 -43.98 9.28 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.712 -1.242 . . . . 1.17 112.812 -177.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 20.6 mmm-85 -106.0 17.5 23.51 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 120.835 -1.165 . . . . 2.91 113.037 -177.118 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.0 m-70 -154.6 -68.54 0.13 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.138 -1.601 . . . . 0.67 110.413 179.131 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -80.47 4.76 17.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.137 -0.977 . . . . 1.04 110.179 -179.127 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -68.7 -16.52 63.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.087 -1.008 . . . . 1.2 108.671 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -88.47 148.93 43.4 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.378 -0.826 . . . . 4.01 109.054 179.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.67 153.82 28.3 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.346 2.031 . . . . 2.6 112.071 -179.505 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.68 -32.05 38.97 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.738 -1.345 . . . . 3.27 109.738 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.021 -1.282 . . . . 5.54 109.187 179.596 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.488 3.359 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.494 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.525 0 C3'-C2'-C1' 106.96 3.043 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.545 ' C6 ' ' NH2' ' A' ' 51' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.103 0 O4'-C1'-N19 110.241 3.051 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.434 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.44 1.538 1 O4'-C1'-N19 111.216 4.27 . . . . 0.4 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.434 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.709 1 O4'-C1'-N19 111.022 4.027 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.722 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.464 0 O4'-C1'-N19 110.771 3.714 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.722 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.838 0 O4'-C1'-N19 110.676 3.595 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.453 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.405 3.256 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 0 O4'-C1'-N19 110.642 3.553 . . . . 1.25 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.56 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.402 0 O4'-C1'-N19 110.445 3.306 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.56 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.306 0 O4'-C1'-N19 110.934 3.918 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.876 0 O4'-C1'-N19 110.738 3.673 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.532 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.64 3.55 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.532 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.98 1 O4'-C1'-N19 111.289 4.362 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.245 0 O4'-C1'-N19 110.636 3.544 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.65 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.937 0 O4'-C1'-N19 110.56 3.45 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.65 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.444 1 O4'-C1'-N19 111.474 4.593 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.52 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 P--O5' 1.612 1.876 1 O4'-C1'-N19 111.809 5.012 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.421 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.677 0 O4'-C1'-N19 110.598 3.497 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.411 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.075 1 O4'-C1'-N19 111.002 4.003 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.405 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.104 0 C3'-C2'-C1' 107.099 3.142 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . 0.405 " O5'" H2'' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.613 0 C3'-C2'-C1' 106.973 3.052 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 N--CA 1.5 1.875 0 CA-C-O 121.105 0.377 . . . . 8.38 112.739 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -77.81 132.59 38.11 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.011 -1.055 . . . . 7.76 109.778 -179.098 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.66 149.83 49.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.369 -0.832 . . . . 4.56 110.104 -179.74 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -154.92 112.53 3.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.237 -0.915 . . . . 4.79 109.473 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -88.91 105.06 17.51 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.05 -1.031 . . . . 0.85 111.131 -179.656 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.59 132.31 36.97 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.308 -0.87 . . . . 1.46 109.135 178.666 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.508 ' HZ1' " C1'" ' B' ' 106' ' ' ' DG' . 65.9 mttm -90.85 8.09 36.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.287 -0.883 . . . . 2.61 109.777 179.57 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.612 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 23.7 m80 -82.64 -28.76 0.45 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.277 -0.889 . . . . 3.96 113.351 -177.717 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.3 Cg_exo -50.88 144.87 25.81 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.643 1.562 . . . . 1.14 112.583 -177.435 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.65 171.68 17.29 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.719 2.279 . . . . 1.52 112.124 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.65 28.73 54.45 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.935 -1.266 . . . . 1.41 109.935 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.514 ' O ' ' CG2' ' A' ' 21' ' ' THR . 13.1 t -94.01 94.9 8.7 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.301 -1.117 . . . . 1.49 108.913 179.023 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -81.39 141.7 33.7 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.228 -1.027 . . . . 2.59 108.228 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.514 ' NZ ' ' OP1' ' B' ' 106' ' ' ' DG' . 0.3 OUTLIER -106.38 76.04 0.39 Allowed Pre-proline 0 N--CA 1.496 1.825 0 O-C-N 121.433 -0.792 . . . . 2.78 111.741 -178.653 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -69.62 149.08 67.31 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.047 1.832 . . . . 1.04 109.295 177.406 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HG2' ' NH1' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -74.31 -7.74 53.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.833 -1.167 . . . . 4.24 109.953 -179.132 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -72.87 -0.94 14.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.222 -0.924 . . . . 1.34 111.633 -178.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.453 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 27.6 mmt180 -99.02 -28.49 13.38 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.701 -1.249 . . . . 1.23 111.097 -179.328 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -112.77 -37.56 4.83 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.163 -0.961 . . . . 1.1 109.856 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -59.83 -39.82 86.4 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.327 -0.858 . . . . 3.48 110.2 -178.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -56.12 -30.09 61.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.51 -0.744 . . . . 1.04 110.842 -179.362 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.534 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 78.1 mm-40 -83.11 141.91 31.64 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.082 -1.011 . . . . 1.3 110.004 -179.614 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -118.35 149.5 46.04 Favored Pre-proline 0 N--CA 1.506 2.35 0 O-C-N 121.701 -0.624 . . . . 2.67 109.971 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -39.72 153.93 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.974 1.783 . . . . 0.74 113.088 178.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.62 137.09 21.27 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.29 -0.882 . . . . 1.08 110.277 179.003 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.4 m -117.22 147.94 42.06 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.418 -0.801 . . . . 1.17 109.923 179.278 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.1 t -83.79 125.5 73.08 Favored Pre-proline 0 N--CA 1.496 1.866 0 O-C-N 121.316 -0.865 . . . . 0.42 108.686 179.321 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -78.95 4.72 6.26 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.242 1.295 . . . . 1.16 111.774 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mt -106.39 -50.67 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.468 -0.77 . . . . 1.19 110.729 -178.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.8 p -122.31 15.5 10.53 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.27 -0.894 . . . . 0.5 109.532 -179.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 55.62 17.07 2.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.703 -0.623 . . . . 1.1 111.333 179.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.19 139.49 52.44 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.407 -1.331 . . . . 1.08 107.407 177.726 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.12 117.0 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 120.803 -1.185 . . . . 1.14 109.971 -179.342 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.3 mm -113.91 131.35 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 N-CA-C 107.457 -1.312 . . . . 1.07 107.457 178.72 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -75.0 -60.03 2.47 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.695 -1.253 . . . . 2.82 110.309 -179.027 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -78.96 133.61 36.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.989 -1.07 . . . . 1.62 111.188 -178.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -62.96 -35.76 81.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.451 -0.781 . . . . 0.93 109.647 179.212 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.534 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.71 -38.91 82.94 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.711 -1.243 . . . . 1.04 108.553 179.713 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -71.22 -22.22 62.03 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.836 -1.165 . . . . 0.34 109.823 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.34 -46.39 90.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.948 -1.095 . . . . 1.13 108.566 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.21 -39.96 92.19 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.095 -1.003 . . . . 3.75 108.752 179.344 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.545 ' NH2' ' C6 ' ' B' ' 103' ' ' ' DC' . 43.8 ttp180 -59.99 -40.13 88.12 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.499 -0.926 . . . . 0.51 108.499 178.87 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -61.18 -39.3 89.66 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.441 -0.787 . . . . 0.37 109.434 179.323 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 58' ' ' PHE . 88.7 mt -60.01 -38.7 83.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.003 -1.061 . . . . 1.12 110.235 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -75.81 -27.95 58.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.926 -1.109 . . . . 2.08 111.49 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.7 mt -88.48 -42.51 12.07 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.263 -1.523 . . . . 1.17 112.088 -177.413 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.433 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 18.2 mmm180 -108.83 14.26 24.37 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.828 -1.17 . . . . 2.91 112.986 -177.345 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.433 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.3 m-70 -152.7 -71.82 0.15 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 119.968 -1.707 . . . . 0.67 110.758 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 53' ' ' LEU . 64.4 m-85 -80.7 17.54 1.13 Allowed 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.418 -0.801 . . . . 1.04 109.282 -179.438 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -70.84 -3.85 21.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.486 -0.759 . . . . 1.2 109.231 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -90.26 155.5 46.67 Favored Pre-proline 0 N--CA 1.496 1.845 0 O-C-N 121.085 -1.009 . . . . 4.01 108.696 179.306 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -46.77 148.74 3.57 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 121.397 1.398 . . . . 2.6 112.626 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.27 29.38 0.19 Allowed Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.206 -1.558 . . . . 3.27 109.206 179.306 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.501 2.096 0 O-C-N 121.199 -1.177 . . . . 5.54 109.226 -180.0 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 0 C3'-C2'-C1' 106.894 2.996 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.703 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.583 1 O4'-C1'-N19 111.046 4.057 . . . . 0.77 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.703 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.26 0 O4'-C1'-N19 110.204 3.005 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.461 H2'' " O4'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.761 0 O4'-C1'-N19 110.392 3.24 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.477 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.546 4.435 0 O4'-C1'-N19 110.935 3.919 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.477 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.897 0 C3'-C2'-C1' 107.068 3.12 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.465 ' C6 ' ' O6 ' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.933 1 O4'-C1'-N19 111.29 4.363 . . . . 0.73 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.465 ' O6 ' ' C6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.601 0 O4'-C1'-N19 110.749 3.686 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.586 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.217 0 O4'-C1'-N19 110.322 3.152 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.586 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.932 0 O4'-C1'-N19 110.586 3.482 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.464 0 O4'-C1'-N19 110.995 3.993 . . . . 0.96 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.744 3.68 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.495 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.967 0 O4'-C1'-N19 110.367 3.208 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.495 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.163 0 O4'-C1'-N19 110.953 3.941 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.452 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.275 0 C3'-C2'-C1' 107.159 3.185 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.452 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 C3'-C2'-C1' 106.84 2.957 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.578 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.402 1 O4'-C1'-N19 111.328 4.41 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.578 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.098 1 O4'-C1'-N19 111.907 5.134 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.363 0 O4'-C1'-N19 110.73 3.663 . . . . 0.64 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.46 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.624 1 O4'-C1'-N19 111.697 4.871 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.46 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.307 0 O4'-C1'-N19 110.371 3.214 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.979 0 C3'-C2'-C1' 106.922 3.016 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.494 1.526 0 CA-C-O 121.048 0.353 . . . . 8.38 112.219 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -83.24 137.1 34.16 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.002 -1.061 . . . . 7.76 109.858 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.15 4.67 8.13 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.231 -0.918 . . . . 4.56 110.328 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -80.57 141.9 34.61 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.074 -1.016 . . . . 4.79 110.073 -179.4 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -87.19 108.05 18.74 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.288 -0.883 . . . . 0.85 109.163 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.46 132.56 40.42 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.164 -0.96 . . . . 1.46 110.642 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -86.5 14.68 6.4 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.453 -0.78 . . . . 2.61 110.438 179.515 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.616 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 16.3 m-70 -81.97 -25.59 0.4 Allowed Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 120.985 -1.072 . . . . 3.96 113.557 -177.848 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 88.1 Cg_exo -50.56 136.98 41.28 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.291 1.327 . . . . 1.14 111.968 -179.041 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -79.37 178.23 7.66 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 123.258 2.639 . . . . 1.52 111.947 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.43 30.0 63.1 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 120.029 -1.081 . . . . 1.41 110.47 179.002 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.38 93.69 9.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -1.182 . . . . 1.49 109.886 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mp0 -77.77 158.33 29.62 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.097 -1.002 . . . . 2.59 108.628 178.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -108.68 65.47 0.29 Allowed Pre-proline 0 N--CA 1.502 2.131 0 O-C-N 121.304 -0.873 . . . . 2.78 112.145 -179.122 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -45.3 132.37 11.96 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.076 1.184 . . . . 1.04 111.782 179.361 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -63.45 -33.81 76.37 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.451 -0.781 . . . . 4.24 110.931 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.6 m -71.56 -1.98 15.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.038 -1.039 . . . . 1.34 111.819 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -97.94 -26.43 14.65 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.654 -1.278 . . . . 1.23 110.998 -179.073 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.422 ' H ' ' HG ' ' A' ' 28' ' ' SER . 4.4 p -109.71 -35.98 6.05 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.239 -1.023 . . . . 1.1 108.239 179.032 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.37 -38.42 83.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.297 -0.877 . . . . 3.48 109.297 179.104 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.0 m -50.87 -23.54 2.89 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.291 -0.881 . . . . 1.04 109.638 -179.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -82.51 149.83 27.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.889 -1.132 . . . . 1.3 109.748 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.437 ' O ' ' O ' ' A' ' 44' ' ' ARG . 22.9 mm100 -121.31 151.89 56.7 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 121.501 -0.749 . . . . 2.67 109.031 179.886 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.29 151.7 42.8 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.985 1.79 . . . . 0.74 111.06 178.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -146.68 139.67 25.39 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.092 -1.005 . . . . 1.08 111.391 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.3 m -116.22 160.69 20.07 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 109.071 -0.715 . . . . 1.17 109.071 178.656 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 40' ' ' TYR . 2.2 t -104.9 104.66 47.61 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.336 -0.853 . . . . 0.42 109.063 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.84 -4.41 0.24 Allowed 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 122.079 1.853 . . . . 1.16 113.438 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -97.01 -64.46 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.043 -1.035 . . . . 1.19 110.02 -179.09 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.7 p -105.99 10.27 32.31 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.417 -0.802 . . . . 0.5 108.952 179.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 36' ' ' CYS . 77.9 m-85 58.48 17.38 4.84 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.664 -0.647 . . . . 1.1 110.58 179.541 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.13 139.87 45.92 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.546 -1.347 . . . . 1.08 108.02 178.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.61 110.71 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.147 -0.97 . . . . 1.14 109.972 -179.372 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' ALA . 28.5 mm -108.01 130.29 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 107.739 -1.208 . . . . 1.07 107.739 178.858 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 32' ' ' GLN . 70.9 mtt180 -73.78 -60.98 2.0 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.611 -0.836 . . . . 2.82 110.48 -178.567 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.657 HE22 ' NH2' ' A' ' 47' ' ' ARG . 89.9 mt-30 -80.22 132.94 35.96 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.959 -1.088 . . . . 1.62 110.014 -179.36 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.3 p -63.08 -33.12 74.76 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.057 -1.027 . . . . 0.93 109.758 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.657 ' NH2' HE22 ' A' ' 45' ' ' GLN . 27.6 ptt180 -60.27 -42.51 95.54 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.889 -1.132 . . . . 1.04 108.758 179.297 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -64.91 -27.9 69.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.269 -0.895 . . . . 0.34 108.941 178.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.33 -42.8 96.38 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.402 -1.436 . . . . 1.13 109.367 179.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' A' ' 50' ' ' ARG . 52.3 mtt-85 -59.96 -41.95 93.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.049 -1.032 . . . . 3.75 109.113 -179.294 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -64.88 -34.66 78.93 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.388 -0.82 . . . . 0.51 109.472 178.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -63.36 -36.64 84.39 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.276 -0.89 . . . . 0.37 110.252 -179.6 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.12 -45.95 91.25 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.268 -0.895 . . . . 1.12 109.296 -179.818 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 86.8 mt-10 -72.06 -27.21 62.53 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.168 -0.958 . . . . 2.08 113.073 -178.636 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.8 mt -92.82 -35.09 13.58 Favored 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.267 -1.52 . . . . 1.17 112.514 -177.448 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.55 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.1 mmm180 -109.21 20.09 18.71 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 120.612 -1.305 . . . . 2.91 112.334 -177.275 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.5 m-70 -156.09 -69.19 0.11 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.176 -1.578 . . . . 0.67 110.835 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -78.15 -2.38 37.25 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.922 -1.112 . . . . 1.04 109.621 -179.375 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -74.8 2.17 10.78 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.212 -0.93 . . . . 1.2 108.545 178.839 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -89.91 135.88 29.8 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.194 -0.941 . . . . 4.01 109.606 -179.495 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.88 145.79 51.58 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.528 1.485 . . . . 2.6 111.841 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.0 4.36 31.67 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.886 -1.286 . . . . 3.27 109.886 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.495 1.818 0 O-C-N 120.935 -1.333 . . . . 5.54 109.454 -179.85 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.185 0 O4'-C1'-N19 110.682 3.602 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.505 3.381 . . . . 0.77 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.515 ' C6 ' ' NH2' ' A' ' 51' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.586 0 O4'-C1'-N19 110.993 3.991 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.54 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.314 0 O4'-C1'-N19 110.883 3.853 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.54 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.124 4.155 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.416 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.22 0 O4'-C1'-N19 110.331 3.164 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.502 ' N3 ' ' NH1' ' A' ' 14' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.593 0 O4'-C1'-N19 110.422 3.277 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.489 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.438 1 O4'-C1'-N19 111.313 4.391 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.534 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.064 0 O4'-C1'-N19 110.569 3.461 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.534 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.5 0 O4'-C1'-N19 110.432 3.29 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.483 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.015 1 O4'-C1'-N19 111.139 4.174 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.802 0 O4'-C1'-N19 110.154 2.943 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.449 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.866 0 O4'-C1'-N19 110.906 3.883 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.466 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.635 0 O4'-C1'-N19 110.707 3.633 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.466 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.948 0 O4'-C1'-N19 110.373 3.216 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.674 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.003 0 O4'-C1'-N19 110.724 3.656 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.674 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 4.0 1 O4'-C1'-N19 111.683 4.853 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.443 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.169 0 O4'-C1'-N19 110.783 3.728 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.482 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.004 0 O4'-C1'-N19 110.574 3.467 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.482 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.548 0 O4'-C1'-N19 110.814 3.768 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.454 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.159 0 O4'-C1'-N19 110.55 3.437 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.655 0 C3'-C2'-C1' 106.964 3.046 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 N--CA 1.493 1.48 0 CA-C-O 121.333 0.472 . . . . 8.38 112.14 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -78.62 143.41 36.42 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.139 -0.976 . . . . 7.76 109.433 -179.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.67 17.8 0.2 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.982 -1.074 . . . . 4.56 110.064 179.426 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.16 118.0 23.84 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.052 -1.03 . . . . 4.79 109.705 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.502 ' NH1' ' N3 ' ' B' ' 107' ' ' ' DA' . 39.7 mtt-85 -90.82 91.4 8.34 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.115 -0.99 . . . . 0.85 109.666 179.631 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.22 123.72 36.7 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.434 -0.791 . . . . 1.46 110.218 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -89.97 13.95 13.43 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.27 -0.894 . . . . 2.61 109.321 178.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.622 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 42.1 m80 -80.45 -30.69 0.6 Allowed Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.112 -0.992 . . . . 3.96 112.394 -178.42 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 48.4 Cg_exo -57.36 146.43 82.84 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 121.89 1.726 . . . . 1.14 112.32 -179.328 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.29 178.48 7.45 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.401 2.067 . . . . 1.52 111.945 178.779 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.3 26.86 62.85 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.516 -1.033 . . . . 1.41 110.516 178.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.0 t -89.28 94.74 10.02 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.014 -1.286 . . . . 1.49 109.576 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -84.27 145.01 28.53 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.207 -1.034 . . . . 2.59 108.207 179.152 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -105.22 76.8 0.33 Allowed Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.418 -0.801 . . . . 2.78 110.319 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.24 144.13 45.55 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.435 1.423 . . . . 1.04 111.556 179.07 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.485 HH11 ' HG2' ' A' ' 25' ' ' ARG . 29.6 mtt-85 -69.84 -9.44 54.77 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.375 -0.828 . . . . 4.24 109.829 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -71.23 -9.67 58.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.328 -0.858 . . . . 1.34 110.429 -179.424 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.489 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 22.1 mmt180 -102.8 -25.3 13.56 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.951 -1.093 . . . . 1.23 110.206 -179.377 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 p -105.41 -33.03 8.29 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.094 -1.004 . . . . 1.1 109.557 -179.664 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -64.31 -31.08 72.15 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.072 -1.017 . . . . 3.48 109.418 179.663 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -58.06 -29.73 65.63 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.563 -0.711 . . . . 1.04 109.661 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.588 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 62.2 mm-40 -95.34 139.73 31.23 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.32 -0.863 . . . . 1.3 109.925 -179.246 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.468 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 23.8 mp0 -114.22 152.21 45.71 Favored Pre-proline 0 N--CA 1.5 2.061 0 N-CA-C 108.378 -0.971 . . . . 2.67 108.378 178.868 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -42.03 156.2 0.08 OUTLIER 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.4 2.066 . . . . 0.74 112.376 179.609 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -146.04 139.63 26.21 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.065 -1.022 . . . . 1.08 110.535 179.425 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.0 m -117.69 158.56 24.47 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 115.926 -0.579 . . . . 1.17 109.523 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 40' ' ' TYR . 5.9 t -104.6 103.39 39.74 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.513 -0.742 . . . . 0.42 109.622 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.02 -4.79 0.4 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 121.816 1.677 . . . . 1.16 113.219 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.0 mt -95.8 -50.03 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 120.884 -1.135 . . . . 1.19 110.153 -179.025 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.4 p -123.32 14.28 9.64 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 108.602 -0.888 . . . . 0.5 108.602 179.664 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' CYS . 80.6 m-85 53.65 15.1 0.7 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.832 -0.543 . . . . 1.1 110.961 178.793 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.61 139.44 38.45 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.67 -1.233 . . . . 1.08 107.67 178.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -94.3 109.3 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.137 -0.977 . . . . 1.14 110.915 -178.168 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 34' ' ' ALA . 47.1 mm -106.0 130.12 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 108.421 -0.955 . . . . 1.07 108.421 178.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -75.2 -61.85 1.76 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.802 -1.186 . . . . 2.82 110.92 -178.638 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.468 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 90.9 mt-30 -80.12 130.25 35.1 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.078 -1.014 . . . . 1.62 110.686 -179.301 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -60.77 -33.27 72.7 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.328 -0.857 . . . . 0.93 109.678 179.792 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.588 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.96 -37.88 80.87 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.945 -1.102 . . . . 1.04 108.509 179.61 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -69.92 -30.3 67.67 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.324 -0.86 . . . . 0.34 109.768 178.894 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.7 tp -56.36 -46.7 79.9 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.751 -1.218 . . . . 1.13 108.807 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -58.0 -39.9 79.39 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.669 -1.234 . . . . 3.75 107.669 179.398 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' NH2' ' C6 ' ' B' ' 103' ' ' ' DC' . 49.3 ttp180 -63.85 -40.51 96.73 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.793 0.806 . . . . 0.51 109.325 179.346 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -60.23 -38.3 83.0 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.639 -0.663 . . . . 0.37 109.244 -179.621 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.7 -41.95 91.9 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.901 -1.125 . . . . 1.12 109.878 -179.473 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 95.3 mt-10 -75.62 -16.75 60.18 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.486 -0.759 . . . . 2.08 112.958 -178.766 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.5 mt -95.7 -44.15 7.58 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.326 -1.484 . . . . 1.17 112.035 -177.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 23.3 mmm180 -108.89 16.28 22.82 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 121.099 -1.001 . . . . 2.91 111.938 -178.087 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.3 m-70 -150.67 -75.64 0.15 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.253 -1.529 . . . . 0.67 110.133 -179.853 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -80.88 16.51 1.43 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.205 -0.934 . . . . 1.04 110.266 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -69.48 -12.0 61.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.202 -0.936 . . . . 1.2 109.936 -179.739 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -91.64 153.24 43.92 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.165 -0.96 . . . . 4.01 108.796 179.732 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -48.99 153.94 3.59 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.25 1.3 . . . . 2.6 111.345 178.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.77 -162.79 24.62 Favored Glycine 0 N--CA 1.492 2.372 0 C-N-CA 119.445 -1.359 . . . . 3.27 110.197 -179.407 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.498 1.938 0 O-C-N 121.302 -1.117 . . . . 5.54 109.356 179.953 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.424 H2'' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.251 0 C3'-C2'-C1' 107.024 3.089 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.457 ' OP1' ' NH2' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.881 0 C3'-C2'-C1' 106.964 3.046 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.62 3.524 . . . . 0.65 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.414 ' C2 ' ' C2 ' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.448 0 O4'-C1'-N19 110.823 3.778 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.506 ' N3 ' ' N7 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.314 1 O4'-C1'-N19 111.544 4.68 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.506 ' N7 ' ' N3 ' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.511 0 O4'-C1'-N19 110.762 3.702 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.415 ' N7 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-N19 110.483 3.354 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.454 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.773 0 C3'-C2'-C1' 106.902 3.001 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.454 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.877 0 O4'-C1'-N19 110.527 3.409 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.542 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.811 0 O4'-C1'-N19 110.464 3.329 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.542 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.08 0 O4'-C1'-N19 110.179 2.974 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.971 3.964 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.666 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.73 0 C3'-C2'-C1' 106.905 3.003 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.666 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.616 1 O4'-C1'-N19 111.249 4.311 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.483 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.662 0 C3'-C2'-C1' 106.857 2.969 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.56 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.868 0 C3'-C2'-C1' 106.94 3.028 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.56 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.952 1 O4'-C1'-N19 111.843 5.053 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.433 1 O4'-C1'-N19 111.61 4.762 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.783 1 O4'-C1'-N19 111.018 4.023 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.609 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.112 0 O4'-C1'-N19 110.395 3.244 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.609 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.779 1 O4'-C1'-N19 111.608 4.76 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.901 0 C3'-C2'-C1' 106.917 3.012 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo . . . . . 0 N--CA 1.492 1.433 0 CA-C-O 121.017 0.34 . . . . 8.38 112.198 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HZ1' ' CB ' ' A' ' 11' ' ' LYS . 9.1 mtmp? -82.49 146.1 29.43 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.133 -0.979 . . . . 7.76 109.765 179.346 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.07 -107.74 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.532 -0.914 . . . . 4.56 108.532 179.087 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.87 -138.35 0.08 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.293 -1.003 . . . . 4.79 108.293 179.417 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -85.3 97.32 9.88 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.121 -0.987 . . . . 0.85 108.776 179.491 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.61 132.73 41.95 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.7 -0.625 . . . . 1.46 110.584 -179.15 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -90.46 7.86 36.71 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.361 -0.837 . . . . 2.61 109.184 178.29 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.597 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.5 m80 -78.76 -27.79 0.54 Allowed Pre-proline 0 N--CA 1.505 2.292 0 N-CA-C 113.69 0.996 . . . . 3.96 113.69 -177.717 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 75.6 Cg_exo -52.0 146.34 29.98 Favored 'Trans proline' 0 N--CA 1.5 1.909 0 C-N-CA 121.186 1.257 . . . . 1.14 112.114 -178.308 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.51 168.26 21.6 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.22 1.946 . . . . 1.52 112.557 -179.353 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.45 29.15 60.35 Favored Glycine 0 N--CA 1.496 2.634 0 C-N-CA 120.235 -0.983 . . . . 1.41 111.112 178.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.07 84.15 3.48 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.914 -1.345 . . . . 1.49 109.49 179.803 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -78.26 145.84 35.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.947 -1.096 . . . . 2.59 109.011 179.76 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -90.52 110.94 44.62 Favored Pre-proline 0 N--CA 1.499 1.994 0 O-C-N 121.121 -0.987 . . . . 2.78 110.399 -179.502 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -84.24 140.16 8.52 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 121.66 1.574 . . . . 1.04 111.051 178.598 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 6.5 mpt_? -70.28 -14.46 62.6 Favored 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 119.01 -1.076 . . . . 4.24 109.123 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -69.98 -10.3 58.12 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.356 -0.84 . . . . 1.34 111.219 -179.228 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.415 ' NE ' ' N7 ' ' B' ' 107' ' ' ' DA' . 6.7 mmt-85 -99.95 -17.7 17.43 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.823 -1.173 . . . . 1.23 110.423 -179.579 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 p -109.88 -44.12 3.87 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.069 -1.02 . . . . 1.1 110.257 -179.795 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -61.82 -23.08 66.01 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.337 -0.852 . . . . 3.48 109.773 -179.23 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.3 m -58.81 -39.03 79.94 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.524 -0.735 . . . . 1.04 109.942 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.559 ' CG ' HH21 ' A' ' 47' ' ' ARG . 80.5 mm-40 -96.68 148.32 22.99 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.273 -0.892 . . . . 1.3 109.661 -179.772 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -113.13 150.37 42.86 Favored Pre-proline 0 N--CA 1.503 2.191 0 N-CA-C 108.349 -0.982 . . . . 2.67 108.349 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -39.07 154.81 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.189 0 C-N-CA 121.779 1.653 . . . . 0.74 111.762 -179.713 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.46 139.26 28.2 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.295 -0.878 . . . . 1.08 110.18 -179.337 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.2 m -117.07 159.55 22.38 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 109.134 -0.691 . . . . 1.17 109.134 178.633 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 40' ' ' TYR . 3.8 t -101.97 106.43 47.46 Favored Pre-proline 0 N--CA 1.499 2.018 0 O-C-N 121.602 -0.686 . . . . 0.42 109.959 179.844 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -55.57 -7.11 1.22 Allowed 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 121.715 1.61 . . . . 1.16 113.47 179.163 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.9 mt -97.01 -51.02 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 120.741 -1.224 . . . . 1.19 110.478 -178.36 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.4 p -123.74 22.14 9.05 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.531 -0.731 . . . . 0.5 109.365 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.411 ' N ' ' O ' ' A' ' 36' ' ' CYS . 80.4 m-85 48.7 17.93 0.17 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.636 -0.665 . . . . 1.1 112.175 178.516 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.3 136.59 56.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.486 -1.383 . . . . 1.08 108.454 178.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.6 t -92.17 116.22 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.057 -1.027 . . . . 1.14 110.115 -179.115 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 34' ' ' ALA . 28.8 mm -114.05 129.79 69.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 108.036 -1.098 . . . . 1.07 108.036 178.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -73.64 -65.09 0.87 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.956 -1.09 . . . . 2.82 111.22 -179.448 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -79.98 137.9 36.94 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.209 -1.557 . . . . 1.62 111.417 -178.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.3 p -62.49 -34.2 76.39 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.454 -0.779 . . . . 0.93 109.865 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.559 HH21 ' CG ' ' A' ' 31' ' ' GLU . 12.2 ptp180 -60.05 -38.57 83.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.991 -1.068 . . . . 1.04 108.585 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -68.18 -31.04 70.29 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.585 -0.697 . . . . 0.34 109.16 179.128 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.81 -42.2 92.93 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 118.884 -1.126 . . . . 1.13 108.841 -179.09 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -59.95 -41.46 91.93 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.998 -1.064 . . . . 3.75 108.298 179.442 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -64.56 -37.18 86.67 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.469 -0.769 . . . . 0.51 109.629 179.211 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -61.28 -40.77 95.36 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.306 -0.871 . . . . 0.37 109.356 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.84 -40.66 89.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.383 -0.823 . . . . 1.12 110.081 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 81.0 mm-40 -74.47 -24.77 59.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.198 -0.939 . . . . 2.08 112.262 -179.21 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.536 ' C ' ' HE ' ' A' ' 56' ' ' ARG . 94.5 mt -93.23 -41.64 9.78 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.576 -1.327 . . . . 1.17 112.333 -177.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.536 ' HE ' ' C ' ' A' ' 55' ' ' LEU . 4.0 mmp_? -104.25 14.26 30.65 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.729 -1.232 . . . . 2.91 111.968 -177.533 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.7 m-70 -153.59 -70.9 0.14 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 119.996 -1.69 . . . . 0.67 111.069 179.861 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -81.96 14.79 2.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.964 -1.085 . . . . 1.04 109.511 -179.803 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -71.27 -1.63 13.39 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.426 -0.796 . . . . 1.2 109.34 179.534 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -85.23 150.45 54.8 Favored Pre-proline 0 N--CA 1.495 1.812 0 O-C-N 120.658 -1.276 . . . . 4.01 108.491 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.93 163.72 37.93 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 121.67 1.58 . . . . 2.6 111.948 -179.613 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.11 136.95 20.55 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 109.773 -1.331 . . . . 3.27 109.773 179.715 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.502 2.149 0 O-C-N 121.359 -1.083 . . . . 5.54 109.48 179.785 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.505 ' H8 ' " O5'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.404 0 O4'-C1'-N19 110.737 3.671 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.438 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.519 0 O4'-C1'-N19 110.477 3.346 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.458 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.324 1 O4'-C1'-N19 111.061 4.076 . . . . 0.65 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.458 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.588 0 O4'-C1'-N19 110.861 3.826 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.415 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.401 1 O4'-C1'-N19 111.902 5.128 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.548 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.63 0 C3'-C2'-C1' 107.078 3.127 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.548 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.164 1 O4'-C1'-N19 111.235 4.294 . . . . 0.73 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.473 ' O6 ' ' C6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.979 0 O4'-C1'-N19 110.802 3.753 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.542 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.197 0 O4'-C1'-N19 110.449 3.311 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.542 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.566 3.457 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.473 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.15 0 O4'-C1'-N19 110.303 3.128 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.487 1 O4'-C1'-N19 111.144 4.181 . . . . 0.95 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.957 0 C3'-C2'-C1' 106.992 3.066 . . . . 1.14 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 0 O4'-C1'-N19 110.615 3.519 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.169 0 O4'-C1'-N19 110.532 3.415 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.581 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.318 0 O4'-C1'-N19 110.651 3.563 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.603 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.021 1 O4'-C1'-N19 111.767 4.959 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.603 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.955 0 O4'-C1'-N19 110.951 3.938 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.457 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.362 1 O4'-C1'-N19 111.985 5.231 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.444 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.91 1 O4'-C1'-N19 111.886 5.107 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.386 0 O4'-C1'-N19 110.387 3.234 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . 0.444 ' H6 ' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.765 0 C3'-C2'-C1' 106.963 3.045 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo . . . . . 0 N--CA 1.494 1.508 0 CA-C-O 121.393 0.497 . . . . 8.38 111.96 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -84.62 139.44 32.07 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.261 -0.9 . . . . 7.76 109.653 179.765 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.69 121.15 3.24 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.448 -0.783 . . . . 4.56 109.7 -179.595 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -152.57 -101.26 0.05 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.678 -1.264 . . . . 4.79 110.097 179.375 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' NH1' " H1'" ' C' ' 117' ' ' ' DC' . 97.3 mtt180 -84.36 97.52 9.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.812 -1.18 . . . . 0.85 110.359 -179.003 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.3 104.19 14.28 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.595 -0.691 . . . . 1.46 109.646 179.123 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -88.01 5.27 41.65 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.878 -1.139 . . . . 2.61 109.257 179.121 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.502 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 13.4 t-80 -78.33 -47.06 2.05 Favored Pre-proline 0 N--CA 1.499 2.016 0 O-C-N 121.41 -0.806 . . . . 3.96 111.804 -179.359 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 17' ' ' HIS . 24.9 Cg_endo -59.71 161.53 17.83 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 CA-C-N 120.503 1.215 . . . . 1.14 111.648 -179.828 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -57.34 178.11 0.18 Allowed 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.862 2.375 . . . . 1.52 112.818 -179.079 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.64 21.33 78.84 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.907 -1.277 . . . . 1.41 109.907 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.401 ' CG2' ' O ' ' A' ' 21' ' ' THR . 9.7 t -93.0 90.65 7.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.284 -1.127 . . . . 1.49 109.658 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -80.73 138.23 36.31 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.133 -0.979 . . . . 2.59 108.796 179.149 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -107.22 70.69 0.28 Allowed Pre-proline 0 N--CA 1.503 2.184 0 O-C-N 121.355 -0.841 . . . . 2.78 111.008 -179.336 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.78 142.0 67.97 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 121.389 1.393 . . . . 1.04 111.289 179.158 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -72.6 -3.12 22.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.163 -0.961 . . . . 4.24 110.262 -179.337 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.4 m -70.07 -4.88 23.13 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.142 -0.974 . . . . 1.34 108.742 179.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -101.39 -26.47 13.58 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.202 -0.666 . . . . 1.23 109.202 -178.631 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 p -108.19 -36.62 6.25 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.88 -0.785 . . . . 1.1 108.88 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -59.87 -34.75 73.56 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.526 -0.87 . . . . 3.48 108.839 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.402 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 9.0 m -70.82 -22.94 62.28 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.91 -1.119 . . . . 1.04 108.727 178.807 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -87.36 135.47 33.31 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.384 -0.969 . . . . 1.3 108.384 179.732 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 3.9 mp0 -113.07 152.62 45.14 Favored Pre-proline 0 N--CA 1.492 1.665 0 N-CA-C 108.319 -0.993 . . . . 2.67 108.319 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -52.67 154.22 12.74 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 121.094 1.196 . . . . 0.74 111.209 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -142.63 136.33 29.03 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.216 -0.927 . . . . 1.08 110.689 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.7 m -116.63 148.75 40.69 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.388 -0.82 . . . . 1.17 109.951 179.153 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.9 t -88.35 131.67 41.61 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.252 -0.905 . . . . 0.42 108.954 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -79.12 -4.86 14.14 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.65 1.566 . . . . 1.16 112.362 -179.615 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.8 mt -99.34 -54.58 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.139 -0.976 . . . . 1.19 109.971 -179.694 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 41' ' ' ALA . 14.6 p -118.68 27.68 8.76 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.471 -0.768 . . . . 0.5 110.691 -179.256 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 42.83 15.96 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.359 -0.838 . . . . 1.1 111.081 179.186 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . -56.45 133.19 52.98 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 106.997 -1.483 . . . . 1.08 106.997 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.1 t -92.33 116.98 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.76 -1.212 . . . . 1.14 110.513 -178.487 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' ALA . 27.3 mm -111.89 129.8 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 N-CA-C 107.089 -1.449 . . . . 1.07 107.089 178.186 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' A' ' 44' ' ' ARG . 9.6 mtt-85 -72.31 -61.27 1.86 Allowed 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.681 -1.262 . . . . 2.82 110.64 -178.286 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.546 ' NE2' HH21 ' A' ' 47' ' ' ARG . 89.2 mt-30 -77.98 135.89 37.88 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.265 -0.897 . . . . 1.62 110.642 -178.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -65.13 -38.87 92.02 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.466 -0.772 . . . . 0.93 110.631 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.546 HH21 ' NE2' ' A' ' 45' ' ' GLN . 24.6 ptt180 -58.58 -39.38 80.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.727 -1.233 . . . . 1.04 109.06 -179.818 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.45 -31.9 72.94 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.213 -0.929 . . . . 0.34 109.853 179.521 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.29 -41.76 85.1 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.655 -1.278 . . . . 1.13 108.701 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -57.49 -40.04 77.75 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.513 -1.367 . . . . 3.75 107.748 179.727 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -68.14 -35.18 77.68 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 109.467 -0.568 . . . . 0.51 109.467 179.216 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -60.32 -37.09 79.53 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.068 -1.02 . . . . 0.37 108.717 178.828 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.27 -46.73 89.13 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -0.869 . . . . 1.12 110.415 -179.56 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 80.2 mm-40 -70.26 -25.26 63.28 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.971 -1.081 . . . . 2.08 112.511 -179.223 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.8 mt -94.01 -38.44 11.15 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.769 -1.207 . . . . 1.17 112.602 -177.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.52 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 19.8 mmm-85 -106.5 13.89 27.84 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 120.583 -1.323 . . . . 2.91 112.215 -177.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.52 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 93.1 m-70 -153.82 -71.68 0.13 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.287 -1.508 . . . . 0.67 111.042 179.526 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -79.81 12.78 2.46 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.855 -1.153 . . . . 1.04 110.238 -179.15 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -71.33 -0.36 9.91 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.193 -0.942 . . . . 1.2 109.437 179.686 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -84.15 148.92 54.54 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 121.294 -0.879 . . . . 4.01 108.867 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.43 160.98 46.87 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 122.03 1.82 . . . . 2.6 112.418 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -44.26 140.04 3.93 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.568 -1.413 . . . . 3.27 109.568 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 68.0 t . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 117.787 -1.102 . . . . 5.54 109.451 -179.68 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.493 ' H8 ' " O5'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.764 0 C3'-C2'-C1' 106.85 2.964 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.707 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.287 0 O4'-C1'-N19 110.359 3.199 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.707 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.322 0 O4'-C1'-N19 110.686 3.607 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.442 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.253 0 O4'-C1'-N19 110.764 3.705 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.522 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.534 2.901 1 O4'-C1'-N19 111.564 4.705 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.609 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.997 0 O4'-C1'-N19 110.348 3.185 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.609 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.87 3.838 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.7 0 O4'-C1'-N19 110.737 3.672 . . . . 0.67 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.549 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.045 0 O4'-C1'-N19 110.885 3.856 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.549 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.553 0 O4'-C1'-N19 110.34 3.175 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.496 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.056 0 O4'-C1'-N19 110.856 3.82 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.729 0 O4'-C1'-N19 110.889 3.862 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.879 0 O4'-C1'-N19 110.373 3.217 . . . . 1.14 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.433 ' C8 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.233 1 O4'-C1'-N19 112.15 5.438 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.435 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.764 0 C3'-C2'-C1' 107.008 3.077 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.435 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.757 0 C3'-C2'-C1' 107.11 3.15 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.489 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.743 1 O4'-C1'-N19 111.269 4.336 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.489 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.865 1 O4'-C1'-N19 111.464 4.58 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.458 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.443 1.778 0 O4'-C1'-N19 110.514 3.393 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.531 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.44 1 O4'-C1'-N19 111.078 4.098 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.531 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.344 1 O4'-C1'-N19 111.152 4.19 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.164 0 O4'-C1'-N19 110.666 3.582 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.453 ' C ' ' H ' ' A' ' 12' ' ' ALA . 27.7 Cg_exo . . . . . 0 N--CA 1.495 1.563 0 CA-C-O 121.458 0.524 . . . . 8.38 111.729 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -80.03 21.83 0.55 Allowed 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.33 -0.856 . . . . 7.76 109.129 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.453 ' H ' ' C ' ' A' ' 10' ' ' PRO . . . -159.05 124.3 4.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.652 -0.655 . . . . 4.56 110.117 -179.71 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -77.89 170.05 17.25 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.357 -0.839 . . . . 4.79 109.706 179.55 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -81.03 91.15 6.04 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.023 -1.048 . . . . 0.85 109.512 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.49 130.49 44.57 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.412 -0.805 . . . . 1.46 111.038 -179.812 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -93.83 4.65 53.61 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.418 -0.801 . . . . 2.61 110.106 178.538 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.595 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 8.5 t-80 -81.14 -33.76 0.7 Allowed Pre-proline 0 N--CA 1.503 2.215 0 O-C-N 120.918 -1.113 . . . . 3.96 112.467 -177.862 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.6 Cg_exo -53.04 152.24 18.82 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 121.329 1.352 . . . . 1.14 111.106 -178.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -74.5 179.88 5.48 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.305 2.003 . . . . 1.52 112.427 -178.595 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.87 29.98 58.34 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 110.237 -1.145 . . . . 1.41 110.237 179.572 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' CG2' ' A' ' 21' ' ' THR . 14.3 t -88.17 96.58 10.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.976 -1.308 . . . . 1.49 109.057 -179.864 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -78.19 146.08 35.2 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.164 -0.96 . . . . 2.59 109.256 -179.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' CD ' ' OP1' ' B' ' 106' ' ' ' DG' . 25.7 mmtm -108.46 94.05 12.93 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 121.564 -0.71 . . . . 2.78 110.323 179.581 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -84.48 132.58 5.08 Favored 'Trans proline' 0 N--CA 1.487 1.092 0 C-N-CA 121.887 1.724 . . . . 1.04 110.935 179.297 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -74.64 -12.94 60.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.095 -1.003 . . . . 4.24 109.171 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' OG ' ' A' ' 30' ' ' SER . 70.3 m -70.93 -3.67 20.53 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.336 -0.853 . . . . 1.34 110.424 -179.323 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.433 ' NH1' ' C8 ' ' C' ' 114' ' ' ' DA' . 14.9 mmm180 -111.66 -17.69 12.95 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.236 -0.915 . . . . 1.23 110.758 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.6 p -104.88 -35.83 7.58 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.729 -1.232 . . . . 1.1 109.187 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -73.47 -30.33 63.09 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.334 -0.854 . . . . 3.48 109.509 178.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.467 ' OG ' ' O ' ' A' ' 26' ' ' SER . 26.7 m -56.43 -36.4 68.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.508 -0.745 . . . . 1.04 109.729 -179.456 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' OE1' ' OG ' ' A' ' 46' ' ' SER . 62.8 mm-40 -92.55 139.0 31.03 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.008 -1.058 . . . . 1.3 109.116 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -112.74 150.35 42.61 Favored Pre-proline 0 N--CA 1.495 1.789 0 N-CA-C 108.167 -1.049 . . . . 2.67 108.167 179.691 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -39.01 157.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.229 0 C-N-CA 122.08 1.854 . . . . 0.74 112.153 -179.313 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.59 137.91 21.85 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.044 -1.035 . . . . 1.08 110.958 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.5 m -115.42 146.59 41.46 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.413 -0.804 . . . . 1.17 109.557 179.115 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.7 t -85.75 126.92 64.67 Favored Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.083 -1.011 . . . . 0.42 108.488 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -77.02 -3.14 13.43 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 121.429 1.419 . . . . 1.16 112.743 -179.174 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.5 mt -99.99 -48.06 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.085 -1.009 . . . . 1.19 110.521 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.1 p -123.38 16.82 9.76 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.432 -0.793 . . . . 0.5 110.297 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 54.91 17.48 1.83 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.299 -0.875 . . . . 1.1 111.569 178.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.44 134.57 56.77 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.556 -1.34 . . . . 1.08 107.645 178.542 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.2 t -92.73 112.51 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.997 -1.065 . . . . 1.14 109.834 -179.034 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.2 mm -108.14 128.23 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 107.582 -1.266 . . . . 1.07 107.582 179.102 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 44' ' ' ARG . 18.6 mtt-85 -71.22 -64.16 0.97 Allowed 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 118.661 -1.216 . . . . 2.82 110.201 -179.065 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.522 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 87.0 mt-30 -77.2 140.68 40.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.13 -0.981 . . . . 1.62 110.997 -179.026 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.406 ' OG ' ' OE1' ' A' ' 31' ' ' GLU . 59.7 p -66.52 -38.43 87.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.466 -0.771 . . . . 0.93 109.911 179.43 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.9 ptp180 -56.01 -41.28 74.67 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.828 -1.17 . . . . 1.04 108.618 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.415 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 94.4 m-20 -64.55 -29.95 70.97 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.327 -0.858 . . . . 0.34 109.853 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.8 tp -59.37 -46.33 88.96 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.985 -1.072 . . . . 1.13 109.641 -179.583 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -58.88 -40.03 83.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.907 -1.121 . . . . 3.75 108.028 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -63.59 -39.84 95.41 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.563 0.697 . . . . 0.51 109.275 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -60.56 -39.28 87.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.535 -0.728 . . . . 0.37 109.972 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.2 -41.5 93.12 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.947 -1.095 . . . . 1.12 109.766 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 98.6 mt-10 -72.9 -26.15 61.32 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.205 -0.934 . . . . 2.08 111.362 -179.349 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.0 mt -88.59 -51.53 5.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.981 -1.074 . . . . 1.17 112.775 -177.636 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.548 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 24.1 mmm180 -103.18 21.2 16.25 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 120.701 -1.249 . . . . 2.91 111.915 -177.283 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.7 m-70 -155.75 -76.29 0.1 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.188 -1.57 . . . . 0.67 111.344 179.75 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.88 14.78 1.25 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.018 -1.051 . . . . 1.04 110.143 -178.433 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -68.47 -5.28 18.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.131 -0.981 . . . . 1.2 108.44 179.351 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -91.46 146.41 33.25 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.223 -0.923 . . . . 4.01 108.934 178.863 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -64.88 137.14 51.97 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.151 1.901 . . . . 2.6 112.301 179.853 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -113.14 -82.6 1.16 Allowed Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.148 -1.581 . . . . 3.27 109.148 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.1 m . . . . . 0 N--CA 1.495 1.822 0 O-C-N 121.388 -1.066 . . . . 5.54 108.959 179.496 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.661 3.576 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.545 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.791 0 C3'-C2'-C1' 107.033 3.095 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.545 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.524 0 O4'-C1'-N19 110.833 3.791 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.495 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.035 1 O4'-C1'-N19 111.168 4.21 . . . . 0.4 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.495 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.735 1 O4'-C1'-N19 111.2 4.25 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.538 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.508 0 O4'-C1'-N19 110.575 3.468 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.542 ' N7 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.672 3.59 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.554 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.78 1 O4'-C1'-N19 111.049 4.061 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.43 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.714 0 O4'-C1'-N19 110.841 3.801 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.55 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.649 0 O4'-C1'-N19 110.529 3.411 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.55 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.447 0 O4'-C1'-N19 110.755 3.694 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.347 0 O4'-C1'-N19 110.363 3.204 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.592 0 C3'-C2'-C1' 106.915 3.011 . . . . 1.14 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.42 H2'' " O5'" ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.48 1 O4'-C1'-N19 111.232 4.29 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.42 " O5'" H2'' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.464 0 C3'-C2'-C1' 106.712 2.865 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.579 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.592 3.49 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.579 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.858 1 O4'-C1'-N19 111.135 4.169 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.571 1 O4'-C1'-N19 111.8 5.0 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.475 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.73 0 O4'-C1'-N19 110.806 3.758 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.475 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.62 0 O4'-C1'-N19 110.965 3.956 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 0 C3'-C2'-C1' 106.965 3.047 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . 0.451 ' H6 ' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.465 0 O4'-C1'-N19 110.462 3.327 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 N--CA 1.492 1.411 0 CA-C-O 121.461 0.525 . . . . 8.38 112.161 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -155.54 -14.94 0.11 Allowed 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.45 -0.781 . . . . 7.76 109.803 -179.14 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.99 108.91 2.2 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 4.56 109.739 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -156.87 -167.85 2.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.217 -0.927 . . . . 4.79 108.593 179.468 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -86.66 96.98 10.31 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.931 -1.106 . . . . 0.85 109.877 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.29 112.5 24.84 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.437 -0.789 . . . . 1.46 109.866 179.398 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -95.6 1.82 53.88 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.28 -0.888 . . . . 2.61 109.279 178.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.616 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 25.2 t-80 -81.59 -32.66 0.63 Allowed Pre-proline 0 N--CA 1.499 1.987 0 O-C-N 121.18 -0.95 . . . . 3.96 112.437 -178.363 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.4 Cg_exo -54.86 158.7 10.53 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 122.165 1.91 . . . . 1.14 111.715 -179.505 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -67.86 172.96 9.89 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.346 2.031 . . . . 1.52 111.956 -179.434 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.62 23.11 76.1 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.734 -1.346 . . . . 1.41 109.734 -179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.512 ' O ' ' CG2' ' A' ' 21' ' ' THR . 13.8 t -89.3 94.98 10.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.137 -1.213 . . . . 1.49 108.765 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -77.66 148.77 34.86 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.142 -0.974 . . . . 2.59 109.119 -179.625 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -107.0 77.21 0.49 Allowed Pre-proline 0 N--CA 1.499 2.001 0 O-C-N 121.432 -0.793 . . . . 2.78 111.019 -179.26 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -71.09 134.19 24.68 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.657 1.571 . . . . 1.04 111.438 178.847 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -72.54 -11.05 60.5 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.274 -0.891 . . . . 4.24 110.177 -179.093 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.4 m -72.0 -3.13 21.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.1 -1.0 . . . . 1.34 109.963 -179.5 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.554 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 0.4 OUTLIER -101.33 -26.37 13.64 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.206 -0.934 . . . . 1.23 109.982 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 p -106.29 -32.26 8.25 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.37 -0.832 . . . . 1.1 109.461 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -64.26 -37.24 86.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.222 -0.924 . . . . 3.48 109.207 179.422 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -59.98 -30.43 69.11 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.535 -0.728 . . . . 1.04 109.332 -179.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -85.51 138.01 32.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.379 -0.826 . . . . 1.3 109.572 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -119.22 151.03 50.37 Favored Pre-proline 0 N--CA 1.504 2.24 0 O-C-N 121.515 -0.741 . . . . 2.67 109.347 -179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -42.35 154.64 0.12 Allowed 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.893 1.729 . . . . 0.74 112.18 179.274 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.92 136.95 23.38 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.059 -1.026 . . . . 1.08 110.519 179.816 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.9 m -115.42 145.22 42.77 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.358 -0.839 . . . . 1.17 109.271 178.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.9 t -80.4 128.74 71.71 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.527 -0.733 . . . . 0.42 109.036 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -77.25 -2.79 13.01 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 121.372 1.382 . . . . 1.16 111.592 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.4 mt -103.9 -56.38 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.493 -0.754 . . . . 1.19 110.945 -179.203 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.4 p -112.81 18.47 18.19 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.281 -0.887 . . . . 0.5 109.887 -179.253 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 50.27 17.13 0.31 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.385 -0.822 . . . . 1.1 111.233 178.379 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.43 143.03 50.98 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.873 -1.142 . . . . 1.08 108.024 178.301 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.0 t -95.45 111.28 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.071 -1.018 . . . . 1.14 110.425 -178.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 34' ' ' ALA . 26.5 mm -105.87 129.74 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 107.295 -1.372 . . . . 1.07 107.295 178.312 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -74.28 -60.06 2.44 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 119.13 -1.028 . . . . 2.82 110.278 -178.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.652 ' NE2' HH21 ' A' ' 47' ' ' ARG . 94.9 mt-30 -82.07 136.11 35.24 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.987 -1.07 . . . . 1.62 110.054 -179.759 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.3 p -66.85 -42.79 85.15 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.376 -0.827 . . . . 0.93 110.144 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.652 HH21 ' NE2' ' A' ' 45' ' ' GLN . 21.7 ptt180 -55.14 -35.37 64.64 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.794 -1.191 . . . . 1.04 108.827 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.484 ' CB ' HH12 ' A' ' 51' ' ' ARG . 84.5 m-20 -70.01 -29.02 65.98 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.998 -1.064 . . . . 0.34 109.108 178.77 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.6 tp -54.95 -44.47 74.35 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 107.991 -1.115 . . . . 1.13 107.991 179.446 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.414 ' HG2' HH11 ' A' ' 50' ' ' ARG . 17.4 ttt-85 -57.74 -40.08 78.83 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.654 -1.239 . . . . 3.75 107.654 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.484 HH12 ' CB ' ' A' ' 48' ' ' ASN . 12.2 ttp-105 -65.31 -39.26 92.26 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.515 -0.874 . . . . 0.51 109.534 178.712 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -60.4 -39.59 87.91 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.346 -0.847 . . . . 0.37 109.604 -179.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.63 -40.7 92.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.119 -0.988 . . . . 1.12 110.353 -179.676 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 66.5 mm-40 -74.31 -24.34 59.21 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.293 -0.879 . . . . 2.08 111.914 -178.719 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.8 mt -94.55 -43.38 8.35 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 120.695 -1.253 . . . . 1.17 112.024 -178.466 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.1 mmm180 -104.04 16.93 25.17 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.924 -1.11 . . . . 2.91 112.462 -177.807 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 96.8 m-70 -153.96 -72.99 0.13 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.003 -1.686 . . . . 0.67 110.941 179.502 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -78.89 8.6 5.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.866 -1.146 . . . . 1.04 109.52 -179.415 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -71.15 -0.82 10.55 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.327 -0.858 . . . . 1.2 108.815 179.511 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -86.58 149.91 49.9 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.441 -0.787 . . . . 4.01 109.2 -179.741 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.62 154.6 59.71 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.234 1.956 . . . . 2.6 112.202 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.54 160.46 54.06 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.028 -1.629 . . . . 3.27 109.028 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.496 1.85 0 O-C-N 121.504 -0.998 . . . . 5.54 109.602 -179.477 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.605 ' H8 ' " O5'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.422 0 O4'-C1'-N19 110.335 3.168 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.555 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.762 0 O4'-C1'-N19 110.453 3.317 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.555 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.884 0 C3'-C2'-C1' 106.778 2.913 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.196 1 O4'-C1'-N19 111.743 4.929 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.421 ' C8 ' ' NE2' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.536 3.144 1 O4'-C1'-N19 111.294 4.368 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.51 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.363 0 O4'-C1'-N19 110.383 3.229 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.507 ' N3 ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.454 0 O4'-C1'-N19 110.727 3.659 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.852 1 O4'-C1'-N19 111.368 4.46 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.787 0 O4'-C1'-N19 110.902 3.877 . . . . 1.25 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.627 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.168 0 C3'-C2'-C1' 107.171 3.194 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.627 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.289 0 O4'-C1'-N19 110.239 3.049 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . 0.419 H2'' " O5'" ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.216 0 O4'-C1'-N19 110.845 3.806 . . . . 0.95 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.419 " O5'" H2'' ' C' ' 112' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.769 0 O4'-C1'-N19 110.277 3.096 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.535 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.046 1 O4'-C1'-N19 111.445 4.556 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.535 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.7 0 C3'-C2'-C1' 107.03 3.093 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.641 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.702 0 O4'-C1'-N19 110.438 3.297 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.641 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.924 0 O4'-C1'-N19 110.682 3.602 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.433 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.062 1 O4'-C1'-N19 111.371 4.464 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.433 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O4'-C1'-N19 110.443 3.304 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.49 ' N2 ' ' C2 ' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.112 0 O4'-C1'-N19 110.677 3.596 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.49 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.722 0 O4'-C1'-N19 110.708 3.635 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.464 3.33 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo . . . . . 0 N--CA 1.494 1.508 0 CA-C-O 121.237 0.432 . . . . 8.38 112.441 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -78.36 -168.7 1.41 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.213 -0.93 . . . . 7.76 109.865 -179.431 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.69 12.57 0.21 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.096 -1.003 . . . . 4.56 109.606 179.846 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -82.81 127.95 33.94 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.038 -1.039 . . . . 4.79 108.926 179.403 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.507 ' NH2' ' N3 ' ' B' ' 107' ' ' ' DA' . 42.7 mtp180 -86.2 103.55 14.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.231 -0.918 . . . . 0.85 109.018 -179.728 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.66 104.26 16.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.107 -0.995 . . . . 1.46 110.856 -179.077 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -98.2 0.79 46.49 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.478 -0.764 . . . . 2.61 109.069 178.708 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.639 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 26.3 t-80 -83.71 -29.11 0.44 Allowed Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.285 -0.885 . . . . 3.96 112.339 -179.129 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 50.2 Cg_exo -51.96 156.04 7.72 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 121.628 1.552 . . . . 1.14 112.125 -178.239 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.3 170.11 14.04 Favored 'Trans proline' 0 N--CA 1.507 2.275 0 C-N-CA 123.418 2.745 . . . . 1.52 113.285 -179.315 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.86 28.58 60.57 Favored Glycine 0 N--CA 1.495 2.58 0 N-CA-C 110.153 -1.179 . . . . 1.41 110.153 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.451 ' O ' ' CG2' ' A' ' 21' ' ' THR . 7.1 t -94.45 89.71 5.95 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.204 -1.174 . . . . 1.49 109.451 179.595 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -83.31 140.63 32.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.455 -0.778 . . . . 2.59 108.906 179.043 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -109.13 78.69 1.04 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.749 -0.594 . . . . 2.78 109.923 179.76 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -43.1 159.11 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.906 1.737 . . . . 1.04 112.57 179.378 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' C ' ' H ' ' A' ' 27' ' ' ARG . 69.4 ttt180 -68.97 -39.82 79.21 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.351 -0.843 . . . . 4.24 111.449 -179.531 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -69.93 11.94 0.25 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.652 -1.28 . . . . 1.34 111.489 -178.324 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' H ' ' C ' ' A' ' 25' ' ' ARG . 11.1 mmm180 -92.95 -69.49 0.74 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.828 -1.17 . . . . 1.23 112.204 -178.659 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.7 p -87.6 -29.41 21.26 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.94 -1.1 . . . . 1.1 110.678 -177.872 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.11 -35.08 79.58 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.989 -1.069 . . . . 3.48 109.052 179.035 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.6 m -60.06 -31.0 69.58 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.421 -0.799 . . . . 1.04 109.739 -179.543 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 76.5 mm-40 -68.31 140.28 55.94 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 119.657 -0.817 . . . . 1.3 109.303 -179.841 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -113.16 151.88 44.61 Favored Pre-proline 0 N--CA 1.493 1.717 0 N-CA-C 107.845 -1.168 . . . . 2.67 107.845 -179.786 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.38 154.35 30.02 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 121.205 1.27 . . . . 0.74 111.261 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.89 133.68 22.34 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.402 -0.811 . . . . 1.08 109.972 -179.257 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.5 m -114.33 162.07 17.08 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.758 0.789 . . . . 1.17 109.724 -179.786 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.0 t -104.91 105.21 50.31 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.696 -0.627 . . . . 0.42 109.408 -179.53 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.27 -5.2 0.35 Allowed 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.879 1.719 . . . . 1.16 113.353 179.641 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.8 mt -96.22 -61.36 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 120.643 -1.286 . . . . 1.19 109.872 179.813 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.8 p -110.63 17.34 20.78 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.228 -0.92 . . . . 0.5 109.62 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 51.61 24.68 2.43 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.58 -0.7 . . . . 1.1 110.654 179.128 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.12 140.44 57.89 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.638 -1.289 . . . . 1.08 107.566 178.317 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 t -95.19 110.8 24.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 121.357 -0.84 . . . . 1.14 109.644 -179.537 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' ALA . 46.4 mm -108.99 129.59 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 107.898 -1.149 . . . . 1.07 107.898 179.06 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -74.48 -58.8 3.06 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.369 -0.832 . . . . 2.82 110.606 -178.639 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.421 ' NE2' ' C8 ' ' B' ' 105' ' ' ' DA' . 93.5 mt-30 -78.71 136.12 37.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.291 -0.88 . . . . 1.62 110.338 -179.03 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 99.8 p -65.89 -38.09 87.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.959 -1.088 . . . . 0.93 109.25 179.138 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.432 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -56.69 -39.63 74.14 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.462 -0.94 . . . . 1.04 108.462 179.838 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.41 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 99.5 m-20 -66.08 -31.4 72.25 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.26 -0.9 . . . . 0.34 109.966 179.371 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.2 tp -55.49 -44.84 76.91 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.716 -1.193 . . . . 1.13 108.698 -179.223 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 50' ' ' ARG . 6.8 mmt-85 -59.73 -41.79 91.7 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 119.355 -0.938 . . . . 3.75 108.542 179.363 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -63.23 -39.84 95.74 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.438 0.637 . . . . 0.51 109.715 -179.514 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -60.56 -40.06 90.22 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.735 -0.603 . . . . 0.37 110.15 -179.267 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.23 -39.95 94.54 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.26 -0.9 . . . . 1.12 110.256 -179.605 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 85.5 mt-10 -71.81 -25.0 61.82 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.663 -1.273 . . . . 2.08 111.736 -179.238 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.4 mt -97.98 -36.7 10.05 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.989 -1.069 . . . . 1.17 113.113 -177.391 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.564 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 25.6 mmm180 -105.44 7.79 33.28 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 120.677 -1.264 . . . . 2.91 111.907 -177.946 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.564 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 85.3 m-70 -153.1 -67.78 0.15 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.148 -1.595 . . . . 0.67 110.953 179.36 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.514 ' C ' ' H ' ' A' ' 60' ' ' LYS . 45.9 m-85 -77.57 8.03 4.84 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.507 -1.371 . . . . 1.04 109.924 -179.146 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -69.82 21.04 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.761 -0.587 . . . . 1.2 110.512 179.64 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 58' ' ' PHE . 22.2 pttp -84.95 151.08 56.97 Favored Pre-proline 0 N--CA 1.502 2.168 0 O-C-N 121.018 -1.051 . . . . 4.01 108.707 179.87 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -48.72 157.9 1.36 Allowed 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.632 1.555 . . . . 2.6 112.989 -179.394 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.02 174.44 44.78 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 108.825 -1.71 . . . . 3.27 108.825 179.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.498 1.95 0 O-C-N 121.195 -1.18 . . . . 5.54 109.707 179.91 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.898 0 O4'-C1'-N19 110.446 3.308 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.489 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.466 0 O4'-C1'-N19 110.473 3.341 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.489 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.907 3.884 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.579 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.029 0 C3'-C2'-C1' 107.042 3.101 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.579 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.439 1 O4'-C1'-N19 111.583 4.729 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.46 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.656 0 C3'-C2'-C1' 107.171 3.194 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.592 ' N3 ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 3.029 1 O4'-C1'-N19 111.108 4.135 . . . . 0.73 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.485 " O5'" H2'' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.242 0 O4'-C1'-N19 110.856 3.82 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.581 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.03 0 C3'-C2'-C1' 106.84 2.957 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.581 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.502 3.378 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.416 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.258 1 O4'-C1'-N19 111.086 4.107 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.783 0 O4'-C1'-N19 110.829 3.786 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.424 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.235 3.043 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.517 ' C2 ' ' N3 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.74 0 O4'-C1'-N19 110.452 3.315 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.517 ' N3 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.734 0 C3'-C2'-C1' 106.545 2.746 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.829 0 O4'-C1'-N19 110.513 3.391 . . . . 1.1 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.482 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.015 1 O4'-C1'-N19 112.195 5.494 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.482 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.306 4.382 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.432 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 P--O5' 1.612 1.865 0 O4'-C1'-N19 110.85 3.812 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.061 1 O4'-C1'-N19 111.301 4.377 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.455 ' N2 ' ' O2 ' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.452 0 O4'-C1'-N19 110.688 3.61 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 1.555 0 O4'-C1'-N19 110.387 3.234 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo . . . . . 0 N--CA 1.495 1.612 0 CA-C-O 121.3 0.458 . . . . 8.38 112.211 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -82.69 129.08 34.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.937 -1.102 . . . . 7.76 109.399 179.74 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.33 141.57 58.53 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.447 -0.945 . . . . 4.56 108.447 -179.851 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -153.89 75.04 1.01 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.135 -0.978 . . . . 4.79 109.877 -179.12 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.592 ' NH2' ' N3 ' ' B' ' 107' ' ' ' DA' . 61.3 mtp180 -86.6 98.78 11.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.012 -1.055 . . . . 0.85 109.382 179.716 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.43 119.1 32.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.404 -0.81 . . . . 1.46 109.597 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -97.87 9.56 42.39 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.027 -1.046 . . . . 2.61 109.707 179.663 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.614 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 6.7 t-80 -83.79 -28.49 0.42 Allowed Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 121.196 -0.94 . . . . 3.96 111.759 -178.888 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 80.3 Cg_exo -48.95 155.5 2.61 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.549 1.499 . . . . 1.14 111.829 -179.555 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.2 168.22 16.41 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.471 2.114 . . . . 1.52 111.52 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.23 27.18 66.57 Favored Glycine 0 N--CA 1.487 2.093 0 N-CA-C 108.684 -1.767 . . . . 1.41 108.684 -179.555 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.416 ' O ' ' CG2' ' A' ' 21' ' ' THR . 4.1 t -94.24 91.36 6.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -1.09 . . . . 1.49 108.353 179.543 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -78.07 141.32 38.9 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.095 -0.706 . . . . 2.59 109.095 179.819 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -107.67 77.24 0.6 Allowed Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.569 -0.707 . . . . 2.78 110.223 -179.61 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -69.91 141.88 45.77 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 121.2 1.267 . . . . 1.04 111.255 179.42 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.531 HH11 ' HG2' ' A' ' 25' ' ' ARG . 23.2 mtt-85 -74.45 -6.85 50.63 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.17 -0.957 . . . . 4.24 110.048 -179.377 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 m -69.86 -9.26 54.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.048 -1.032 . . . . 1.34 109.988 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' NH1' ' N7 ' ' B' ' 108' ' ' ' DG' . 28.2 mmt180 -100.42 -24.29 14.53 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.152 -0.968 . . . . 1.23 109.261 -179.634 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.5 p -107.68 -31.46 8.06 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.522 -0.736 . . . . 1.1 109.456 179.641 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -61.12 -39.89 91.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 3.48 109.831 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 m -58.56 -26.16 63.28 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.745 0.783 . . . . 1.04 109.501 -179.472 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.556 ' CD ' HH21 ' A' ' 47' ' ' ARG . 75.7 mm-40 -87.45 137.78 32.04 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.586 -0.696 . . . . 1.3 110.431 -178.878 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.481 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 21.1 mp0 -113.58 150.28 43.0 Favored Pre-proline 0 N--CA 1.501 2.093 0 N-CA-C 107.606 -1.257 . . . . 2.67 107.606 178.331 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -50.36 157.03 3.45 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 121.171 1.247 . . . . 0.74 111.033 -179.173 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -141.93 137.02 30.99 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.331 -0.856 . . . . 1.08 109.171 179.736 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.3 m -117.03 142.78 46.53 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 109.084 -0.71 . . . . 1.17 109.084 -179.777 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.9 t -82.63 129.56 62.0 Favored Pre-proline 0 C--N 1.301 -1.533 0 N-CA-C 108.735 -0.839 . . . . 0.42 108.735 179.499 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -77.46 -4.74 14.98 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 121.949 1.766 . . . . 1.16 112.615 -179.431 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.7 mt -100.32 -54.99 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.356 -0.84 . . . . 1.19 110.041 -178.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' ALA . 15.0 p -116.53 22.74 12.55 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.49 -0.756 . . . . 0.5 110.829 -179.512 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 49.18 13.66 0.07 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.917 -1.114 . . . . 1.1 111.097 178.695 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . -54.39 133.36 45.42 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 106.944 -1.502 . . . . 1.08 106.944 178.601 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 t -92.44 110.09 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.203 -0.936 . . . . 1.14 110.114 -177.804 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 34' ' ' ALA . 31.8 mm -105.19 127.9 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 107.764 -1.199 . . . . 1.07 107.764 179.165 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.464 HH11 ' HG2' ' A' ' 44' ' ' ARG . 13.8 mtt-85 -74.52 -60.02 2.47 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.863 -1.148 . . . . 2.82 110.241 -178.866 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -79.65 137.54 37.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.224 -0.922 . . . . 1.62 109.967 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.1 p -66.3 -33.87 76.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.93 109.732 -179.681 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.556 HH21 ' CD ' ' A' ' 31' ' ' GLU . 10.0 ptp180 -57.52 -41.76 81.47 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.123 -0.986 . . . . 1.04 109.62 -179.781 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.483 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.2 m-20 -68.65 -25.55 64.88 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 109.009 -0.738 . . . . 0.34 109.009 -179.271 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.65 -49.79 76.36 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.974 -1.079 . . . . 1.13 108.624 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -57.9 -42.12 84.05 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.157 -1.423 . . . . 3.75 107.157 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -61.68 -36.11 79.93 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.328 0.585 . . . . 0.51 109.839 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -65.74 -39.49 91.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.178 -0.951 . . . . 0.37 109.696 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.01 -45.05 94.04 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.101 -1.0 . . . . 1.12 110.231 -179.164 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 89.3 mt-10 -70.91 -24.33 62.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.276 -0.89 . . . . 2.08 113.127 -178.712 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.3 mt -99.85 -34.09 10.28 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.652 -1.28 . . . . 1.17 111.205 -178.19 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.479 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 17.3 mmm180 -104.18 6.61 35.77 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.082 -1.011 . . . . 2.91 112.644 -177.798 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 93.7 m-70 -153.1 -70.37 0.15 Allowed 'General case' 0 N--CA 1.506 2.352 0 O-C-N 119.99 -1.694 . . . . 0.67 111.13 -179.644 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -76.83 7.44 4.74 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.848 -1.158 . . . . 1.04 109.198 -179.236 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -70.05 -14.51 62.71 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.987 -1.071 . . . . 1.2 109.659 179.806 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 pttm -90.77 154.67 45.71 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 120.881 -1.137 . . . . 4.01 108.887 179.815 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.11 170.22 20.63 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.166 1.911 . . . . 2.6 111.942 179.499 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.69 -169.94 35.11 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 108.705 -1.758 . . . . 3.27 108.705 -179.791 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.7 t . . . . . 0 N--CA 1.502 2.133 0 N-CA-C 108.056 -1.09 . . . . 5.54 108.056 178.437 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.243 1 O4'-C1'-N19 111.111 4.138 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.557 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.833 0 C3'-C2'-C1' 106.991 3.065 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.557 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.634 0 O4'-C1'-N19 110.717 3.647 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.51 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.767 0 O4'-C1'-N19 110.559 3.449 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.51 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.566 1 O4'-C1'-N19 111.373 4.467 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.48 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.54 0 O4'-C1'-N19 110.417 3.271 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.46 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.249 0 O4'-C1'-N19 110.296 3.12 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.533 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.469 1 O4'-C1'-N19 111.314 4.393 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.638 0 O4'-C1'-N19 110.984 3.98 . . . . 1.25 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.418 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.556 0 C3'-C2'-C1' 107.027 3.091 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.418 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.982 0 O4'-C1'-N19 110.468 3.335 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.419 0 O4'-C1'-N19 110.652 3.565 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.622 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.005 0 O4'-C1'-N19 110.426 3.283 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.622 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.681 1 O4'-C1'-N19 111.012 4.014 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.297 0 C3'-C2'-C1' 106.877 2.983 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.573 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.688 1 O4'-C1'-N19 111.012 4.015 . . . . 1.1 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.573 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.545 4.291 1 O4'-C1'-N19 111.851 5.064 . . . . 1.95 . . . . . . . . . . 3 2 . 1 . 033 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.402 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.633 1 O4'-C1'-N19 111.597 4.747 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.402 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.444 1 O4'-C1'-N19 111.019 4.024 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.586 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.441 1 O4'-C1'-N19 111.263 4.329 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.586 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.298 0 O4'-C1'-N19 110.988 3.985 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.42 3.276 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo . . . . . 0 N--CA 1.493 1.461 0 CA-C-O 121.072 0.364 . . . . 8.38 111.79 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -76.49 153.35 35.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.047 -1.033 . . . . 7.76 109.261 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.3 178.34 1.98 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.35 -0.844 . . . . 4.56 109.098 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -143.99 -51.31 0.31 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.171 -0.955 . . . . 4.79 109.502 179.852 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -88.44 91.65 8.88 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.47 -1.393 . . . . 0.85 109.625 179.849 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.03 107.96 20.59 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.395 -0.816 . . . . 1.46 109.863 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -96.51 8.15 44.8 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.299 -0.875 . . . . 2.61 109.697 179.246 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.632 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 35.7 t-80 -83.96 -31.49 0.49 Allowed Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.19 -0.944 . . . . 3.96 112.233 -178.832 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 78.3 Cg_exo -47.06 155.91 0.85 Allowed 'Trans proline' 0 N--CA 1.503 2.083 0 C-N-CA 122.909 2.406 . . . . 1.14 113.234 -179.078 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -68.09 162.93 37.93 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 123.093 2.528 . . . . 1.52 112.743 -178.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.96 12.72 83.84 Favored Glycine 0 N--CA 1.484 1.865 0 N-CA-C 109.16 -1.576 . . . . 1.41 109.16 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.437 ' O ' ' CG2' ' A' ' 21' ' ' THR . 10.0 t -89.89 90.26 8.1 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.463 -1.022 . . . . 1.49 108.507 179.738 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -82.57 142.51 31.73 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.065 -1.022 . . . . 2.59 109.132 -179.522 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -89.12 111.12 43.15 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.347 -0.846 . . . . 2.78 109.766 -179.862 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -82.58 134.53 7.6 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.933 1.755 . . . . 1.04 111.077 179.201 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -69.07 -18.15 63.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.134 -0.979 . . . . 4.24 111.136 -178.729 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -71.3 -5.36 31.7 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.903 -1.123 . . . . 1.34 110.668 -178.441 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.533 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 13.3 mmt-85 -102.56 -26.24 13.3 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.046 -1.034 . . . . 1.23 110.622 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.3 p -101.94 -39.48 7.33 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 120.96 -1.088 . . . . 1.1 110.669 -178.826 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -63.6 -31.15 72.23 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.829 -1.169 . . . . 3.48 109.315 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.6 m -55.89 -35.64 66.76 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.455 -0.778 . . . . 1.04 109.23 179.895 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -89.89 143.36 26.86 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.286 -0.884 . . . . 1.3 110.387 -179.38 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -117.16 154.66 50.05 Favored Pre-proline 0 N--CA 1.498 1.968 0 N-CA-C 108.112 -1.07 . . . . 2.67 108.112 179.164 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -44.22 153.0 0.35 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.922 1.748 . . . . 0.74 112.281 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.44 133.84 23.22 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.197 -0.939 . . . . 1.08 110.685 -179.253 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.7 m -114.22 162.42 16.57 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.576 -0.702 . . . . 1.17 109.501 179.174 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.7 t -105.89 105.81 54.56 Favored Pre-proline 0 N--CA 1.5 2.064 0 O-C-N 121.23 -0.919 . . . . 0.42 109.968 -179.674 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.56 -7.5 0.87 Allowed 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.223 1.949 . . . . 1.16 113.158 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.0 mt -95.71 -63.53 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.93 -1.106 . . . . 1.19 110.116 -178.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.7 p -108.0 14.37 25.29 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.157 -0.965 . . . . 0.5 109.636 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 55.38 19.93 3.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.495 -0.753 . . . . 1.1 110.801 179.48 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.82 138.3 57.83 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.683 -1.261 . . . . 1.08 107.731 178.677 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.4 t -94.27 113.88 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.144 -0.972 . . . . 1.14 109.361 -179.467 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' ALA . 24.4 mm -110.33 126.15 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 107.749 -1.204 . . . . 1.07 107.749 179.066 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.532 HH11 ' HG2' ' A' ' 44' ' ' ARG . 6.4 mtt-85 -74.22 -60.44 2.26 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.843 -1.161 . . . . 2.82 109.826 -179.348 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.461 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 96.5 mt-30 -76.97 132.3 38.94 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.856 -1.152 . . . . 1.62 109.495 179.579 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.6 p -64.58 -40.42 95.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 0.93 110.377 -179.423 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.0 ptp180 -54.32 -42.18 69.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.74 -1.225 . . . . 1.04 108.753 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.473 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 99.1 m-20 -60.16 -31.98 70.62 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.811 -0.756 . . . . 0.34 109.443 179.296 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.1 tp -57.32 -44.45 84.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.007 -1.058 . . . . 1.13 108.841 -179.645 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -59.69 -39.8 85.77 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.93 -1.137 . . . . 3.75 107.93 179.304 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -64.12 -37.55 87.86 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 109.031 -0.729 . . . . 0.51 109.031 178.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -64.19 -44.59 91.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.679 -0.638 . . . . 0.37 110.318 -179.48 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 58' ' ' PHE . 91.6 mt -55.42 -43.3 75.19 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.876 -1.14 . . . . 1.12 110.096 -179.773 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.31 -28.77 64.34 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.404 -0.81 . . . . 2.08 111.787 -179.257 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -87.7 -40.44 14.13 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.612 -1.305 . . . . 1.17 112.412 -177.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.54 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 19.9 mmm180 -106.09 1.0 25.96 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.843 -1.161 . . . . 2.91 113.392 -176.691 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 72.3 m-70 -148.23 -65.18 0.25 Allowed 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.146 -1.597 . . . . 0.67 111.41 -178.55 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 53' ' ' LEU . 35.1 m-85 -79.96 17.5 0.96 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.381 -0.825 . . . . 1.04 110.556 -178.547 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.61 -6.0 28.36 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.118 -0.988 . . . . 1.2 108.756 179.783 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -91.57 150.05 40.42 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 121.463 -0.773 . . . . 4.01 108.918 179.283 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.42 150.39 88.67 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.252 1.968 . . . . 2.6 111.564 179.794 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -175.77 -60.52 0.06 OUTLIER Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.806 -1.318 . . . . 3.27 109.806 -179.661 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.496 1.852 0 O-C-N 121.216 -1.167 . . . . 5.54 108.753 179.557 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.442 ' H8 ' " O5'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.449 3.311 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.651 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.568 0 O4'-C1'-N19 110.456 3.32 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.651 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.77 0 O4'-C1'-N19 110.377 3.221 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.986 0 O4'-C1'-N19 110.453 3.317 . . . . 0.4 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.402 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.813 5.016 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.533 ' N2 ' ' C2 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.493 0 O4'-C1'-N19 110.338 3.172 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.471 H2'' " O5'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.124 0 C3'-C2'-C1' 107.141 3.172 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.503 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.792 1 O4'-C1'-N19 111.316 4.396 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.62 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.545 0 O4'-C1'-N19 110.397 3.247 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.62 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.136 0 O4'-C1'-N19 110.522 3.403 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.369 1 O4'-C1'-N19 111.161 4.201 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.104 0 O4'-C1'-N19 110.98 3.974 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.612 ' H71' ' OP2' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.853 0 C3'-C2'-C1' 107.052 3.109 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.422 1 O4'-C1'-N19 111.073 4.091 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.684 0 O4'-C1'-N19 110.523 3.404 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.493 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.538 0 O4'-C1'-N19 110.71 3.638 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.502 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.073 0 O4'-C1'-N19 110.953 3.941 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.533 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.507 1 O4'-C1'-N19 111.489 4.612 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.476 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.699 3.624 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.423 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.734 1 O4'-C1'-N19 111.691 4.864 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.53 3.412 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 C3'-C2'-C1' 107.023 3.088 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo . . . . . 0 N--CA 1.491 1.38 0 CA-C-O 121.652 0.605 . . . . 8.38 112.372 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -80.33 -75.21 0.27 Allowed 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.469 -0.77 . . . . 7.76 109.032 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.45 10.25 0.15 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.77 -1.206 . . . . 4.56 110.808 179.668 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.45 127.65 34.14 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.753 -1.217 . . . . 4.79 109.233 179.166 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -89.15 97.54 11.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.543 -0.723 . . . . 0.85 109.395 -179.807 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.59 121.33 36.04 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.146 -0.971 . . . . 1.46 110.698 -179.586 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -89.1 17.93 5.44 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.209 -0.932 . . . . 2.61 109.086 178.475 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.61 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.3 t-80 -79.23 -29.86 0.62 Allowed Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.306 -0.871 . . . . 3.96 112.913 -177.755 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.0 Cg_exo -54.4 147.01 48.82 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.563 1.509 . . . . 1.14 112.457 -179.048 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.83 166.62 26.66 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.345 2.03 . . . . 1.52 112.543 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.62 34.52 53.61 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.362 -1.095 . . . . 1.41 110.362 179.422 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.466 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.7 t -89.42 93.96 9.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.132 -1.216 . . . . 1.49 109.13 -179.916 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -81.3 154.32 26.61 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.248 -0.907 . . . . 2.59 108.659 179.713 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -106.6 98.18 19.54 Favored Pre-proline 0 N--CA 1.503 2.221 0 O-C-N 121.498 -0.751 . . . . 2.78 110.362 -179.461 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -70.67 138.66 35.42 Favored 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 120.938 1.092 . . . . 1.04 110.996 178.33 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -67.9 -21.27 65.15 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.421 -0.8 . . . . 4.24 109.858 179.89 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.8 m -70.65 -1.64 11.9 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.138 -0.976 . . . . 1.34 111.595 -178.933 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.503 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 29.0 mmt180 -104.42 -25.77 12.69 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.762 -1.212 . . . . 1.23 109.429 -179.68 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 p -104.96 -30.86 9.53 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.446 -0.784 . . . . 1.1 109.519 -179.868 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -59.85 -40.64 89.23 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.324 -0.86 . . . . 3.48 109.866 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.9 m -59.59 -23.25 62.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.287 -0.883 . . . . 1.04 109.501 179.867 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -92.14 137.13 32.62 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.33 -0.856 . . . . 1.3 109.796 -179.625 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -125.93 151.47 71.39 Favored Pre-proline 0 N--CA 1.502 2.134 0 N-CA-C 108.486 -0.931 . . . . 2.67 108.486 179.402 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -41.72 149.61 0.24 Allowed 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.317 1.345 . . . . 0.74 112.515 -179.071 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.571 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -143.66 133.5 23.94 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.422 -0.799 . . . . 1.08 110.522 -179.872 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 78.5 m -111.96 161.93 15.89 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.516 -0.74 . . . . 1.17 109.774 179.559 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 40' ' ' TYR . 4.1 t -104.59 104.69 46.73 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 121.753 -0.592 . . . . 0.42 109.798 179.601 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.08 -5.37 0.52 Allowed 'Trans proline' 0 N--CA 1.5 1.863 0 C-N-CA 121.873 1.715 . . . . 1.16 113.021 179.469 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.0 mt -96.17 -61.63 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 120.798 -1.189 . . . . 1.19 109.808 -179.459 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.0 p -109.94 16.55 21.87 Favored 'General case' 0 N--CA 1.507 2.379 0 O-C-N 121.296 -0.878 . . . . 0.5 109.221 179.292 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 36' ' ' CYS . 85.2 m-85 53.26 17.24 0.97 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.58 -0.7 . . . . 1.1 111.029 179.099 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.3 140.19 53.84 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.885 -1.134 . . . . 1.08 108.21 179.342 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.2 t -93.48 111.83 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.184 -0.947 . . . . 1.14 110.19 -178.311 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.571 ' N ' ' O ' ' A' ' 34' ' ' ALA . 23.4 mm -109.1 132.3 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 107.567 -1.272 . . . . 1.07 107.567 178.895 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -74.36 -65.31 0.87 Allowed 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 118.84 -1.144 . . . . 2.82 109.977 -178.899 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.655 ' NE2' HH21 ' A' ' 47' ' ' ARG . 81.8 mt-30 -78.93 139.58 38.24 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.231 -0.918 . . . . 1.62 111.042 -178.75 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.4 p -66.73 -39.96 88.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.524 -0.735 . . . . 0.93 109.867 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.655 HH21 ' NE2' ' A' ' 45' ' ' GLN . 27.3 ptt180 -54.66 -39.29 67.89 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.031 -1.043 . . . . 1.04 109.167 -179.785 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -70.01 -27.35 64.61 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.072 -1.017 . . . . 0.34 109.465 179.323 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.45 -47.09 85.13 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.135 -0.978 . . . . 1.13 109.2 -179.709 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.9 ttm-85 -59.89 -40.2 87.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.513 -1.367 . . . . 3.75 107.894 179.184 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -63.01 -37.15 86.02 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.551 -0.718 . . . . 0.51 109.625 179.645 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -61.64 -38.28 87.13 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.495 -0.753 . . . . 0.37 109.515 179.614 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.78 -44.14 94.03 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.303 -0.873 . . . . 1.12 110.334 -179.589 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -75.18 -20.46 59.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.275 -0.891 . . . . 2.08 112.172 -178.614 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -97.41 -39.42 9.19 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.795 -1.191 . . . . 1.17 111.48 -179.165 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -105.66 12.52 31.0 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.085 -1.009 . . . . 2.91 112.415 -177.361 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -151.03 -71.94 0.17 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.247 -1.533 . . . . 0.67 111.429 179.821 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -79.94 10.76 3.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.194 -0.941 . . . . 1.04 109.585 -178.317 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.75 -5.82 36.87 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.497 -0.752 . . . . 1.2 109.238 179.508 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -90.16 133.02 34.25 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.303 -0.873 . . . . 4.01 109.763 -179.253 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.15 140.43 31.0 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 121.939 1.759 . . . . 2.6 111.651 179.901 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.52 131.85 17.25 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.065 -1.614 . . . . 3.27 109.065 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 117.813 -1.089 . . . . 5.54 108.852 179.849 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.58 0 O4'-C1'-N19 110.491 3.364 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.488 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.956 0 O4'-C1'-N19 110.944 3.93 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.488 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.343 0 O4'-C1'-N19 110.343 3.179 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.469 ' O6 ' ' NH1' ' A' ' 51' ' ' ARG . . . . . . . . 0 C5'--C4' 1.524 1.636 1 O4'-C1'-N19 111.504 4.63 . . . . 0.4 . . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.555 3.444 . . . . 0.41 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.555 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.464 0 O4'-C1'-N19 110.632 3.54 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.561 ' N7 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.635 0 O4'-C1'-N19 110.63 3.537 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.588 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.497 0 O4'-C1'-N19 110.847 3.809 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.588 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.713 3.642 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 0 C3'-C2'-C1' 106.83 2.95 . . . . 0.86 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.368 1 O4'-C1'-N19 111.514 4.643 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.133 0 O4'-C1'-N19 110.671 3.589 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.754 0 O4'-C1'-N19 110.793 3.741 . . . . 1.14 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.439 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.755 1 O4'-C1'-N19 111.25 4.313 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.439 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.478 0 O4'-C1'-N19 110.399 3.248 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.595 ' OP2' ' H72' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.717 0 O4'-C1'-N19 110.464 3.33 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.511 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.767 1 O4'-C1'-N19 111.396 4.495 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.475 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.634 1 O4'-C1'-N19 111.958 5.197 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.402 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.311 1 O4'-C1'-N19 111.135 4.168 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.402 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.224 1 O4'-C1'-N19 111.033 4.041 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.942 1 O4'-C1'-N19 111.119 4.149 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.229 0 O4'-C1'-N19 110.262 3.078 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo . . . . . 0 N--CA 1.492 1.384 0 CA-C-O 121.248 0.437 . . . . 8.38 112.12 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -79.18 132.32 36.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.43 -0.794 . . . . 7.76 109.075 179.85 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.0 -79.01 0.06 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.088 -1.007 . . . . 4.56 110.792 -179.396 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -82.84 152.02 25.8 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.09 -1.006 . . . . 4.79 109.242 -179.389 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -84.91 103.81 14.29 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.911 -1.118 . . . . 0.85 109.14 179.426 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.74 132.69 40.68 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.014 -1.054 . . . . 1.46 110.589 -179.821 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -95.36 1.66 54.37 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.548 -0.72 . . . . 2.61 109.58 178.008 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.632 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 89.4 m-70 -81.99 -28.15 0.45 Allowed Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.336 -0.852 . . . . 3.96 112.542 -178.303 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 75.9 Cg_exo -51.78 151.82 14.47 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 121.887 1.725 . . . . 1.14 113.024 -178.912 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -70.6 166.25 29.25 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.949 2.433 . . . . 1.52 112.464 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.62 35.2 59.3 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 110.032 -1.227 . . . . 1.41 110.032 -179.795 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.442 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.8 t -92.08 89.71 7.06 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.107 -1.231 . . . . 1.49 108.491 179.803 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -81.39 140.1 34.9 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.091 -1.005 . . . . 2.59 109.617 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -105.06 72.24 0.22 Allowed Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 121.377 -0.827 . . . . 2.78 110.544 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.06 145.02 59.85 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.048 1.832 . . . . 1.04 111.925 179.587 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.473 HH11 ' HG2' ' A' ' 25' ' ' ARG . 11.5 mmt-85 -72.99 -3.51 26.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.974 -1.079 . . . . 4.24 109.668 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -71.04 -13.41 61.98 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.684 -1.26 . . . . 1.34 109.822 -179.501 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.561 ' NE ' ' N7 ' ' B' ' 107' ' ' ' DA' . 7.4 mmt-85 -98.52 -20.94 16.78 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.269 -0.894 . . . . 1.23 110.324 179.563 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.0 p -109.42 -38.15 5.54 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.242 -0.911 . . . . 1.1 109.601 -179.649 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.456 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 64.8 tp60 -59.04 -38.05 78.44 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.872 -1.143 . . . . 3.48 109.337 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 m -59.11 -28.26 66.36 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.114 -0.991 . . . . 1.04 109.051 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -88.57 136.03 33.2 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.389 -0.819 . . . . 1.3 108.813 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 29' ' ' GLN . 54.2 mm-40 -116.46 150.93 46.32 Favored Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 109.113 -0.699 . . . . 2.67 109.113 -179.369 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -40.09 155.13 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.074 1.849 . . . . 0.74 112.473 -179.703 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.87 135.42 20.77 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.124 -0.985 . . . . 1.08 111.483 -178.793 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.3 m -117.42 145.45 44.11 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-O 121.682 0.753 . . . . 1.17 110.091 179.174 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.0 t -85.83 122.3 72.96 Favored Pre-proline 0 N--CA 1.493 1.676 0 N-CA-C 108.36 -0.978 . . . . 0.42 108.36 178.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -77.83 1.73 8.58 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.586 1.524 . . . . 1.16 111.653 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.4 mt -99.26 -51.76 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.454 -0.779 . . . . 1.19 109.813 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.5 p -121.73 14.85 10.96 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.43 -0.794 . . . . 0.5 109.934 -179.749 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 56.15 15.79 2.0 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.526 -0.734 . . . . 1.1 111.143 179.092 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.14 134.87 56.86 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.321 -1.363 . . . . 1.08 107.321 177.872 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.7 t -95.58 114.45 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 120.693 -1.254 . . . . 1.14 110.526 -179.325 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.7 mm -110.53 134.65 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 106.606 -1.627 . . . . 1.07 106.606 177.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -74.9 -59.68 2.63 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 120.482 -1.386 . . . . 2.82 111.57 -177.567 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.564 ' OE1' ' NH1' ' A' ' 47' ' ' ARG . 82.6 mt-30 -79.91 137.75 36.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.387 -0.821 . . . . 1.62 110.723 -178.385 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.477 ' HG ' ' N ' ' A' ' 47' ' ' ARG . 59.5 p -65.95 -39.45 90.45 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.293 -0.879 . . . . 0.93 110.535 -179.378 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.682 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -61.91 -36.54 81.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.208 -1.557 . . . . 1.04 108.809 179.21 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.45 ' ND2' HH12 ' A' ' 47' ' ' ARG . 98.6 m-20 -66.23 -31.66 72.62 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.034 -1.041 . . . . 0.34 108.679 178.612 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.02 -40.3 88.83 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.153 -0.967 . . . . 1.13 109.76 -179.628 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.464 ' NH1' ' CG ' ' A' ' 50' ' ' ARG . 8.3 mtt-85 -59.14 -40.7 86.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.989 -1.069 . . . . 3.75 108.167 -179.649 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' NH1' ' O6 ' ' B' ' 104' ' ' ' DG' . 45.4 ttp180 -60.55 -40.26 90.92 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.445 0.641 . . . . 0.51 109.842 179.528 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -61.83 -34.91 76.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.472 -0.768 . . . . 0.37 109.517 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.35 -45.04 94.87 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.959 -1.088 . . . . 1.12 109.489 179.766 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 46.6 mt-10 -77.17 -16.14 59.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.855 -1.153 . . . . 2.08 112.839 -178.168 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.8 mt -99.28 -40.88 7.71 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.333 -1.48 . . . . 1.17 111.679 -178.641 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.454 ' HG3' HH11 ' A' ' 56' ' ' ARG . 20.5 mmm-85 -105.06 15.44 27.6 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.986 -1.071 . . . . 2.91 112.231 -178.327 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.407 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.9 m-70 -150.68 -73.68 0.16 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.398 -1.439 . . . . 0.67 111.212 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.468 ' C ' ' H ' ' A' ' 60' ' ' LYS . 92.2 m-85 -80.23 8.84 6.55 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.756 -1.215 . . . . 1.04 110.094 -178.768 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -71.44 17.86 0.08 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.218 -0.926 . . . . 1.2 110.372 -179.326 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 58' ' ' PHE . 59.7 mttm -84.7 152.97 60.75 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 120.959 -1.088 . . . . 4.01 109.333 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -48.46 154.42 2.71 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.709 1.606 . . . . 2.6 112.314 -179.773 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.6 -119.08 0.6 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.305 -1.518 . . . . 3.27 109.305 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.493 1.686 0 O-C-N 121.44 -1.035 . . . . 5.54 109.289 179.69 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.604 3.505 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.49 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.662 0 C3'-C2'-C1' 106.812 2.937 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.49 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.355 0 O4'-C1'-N19 110.48 3.35 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.222 4.277 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.498 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.536 3.165 1 O4'-C1'-N19 111.928 5.16 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.059 0 O4'-C1'-N19 110.686 3.607 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.561 0 O4'-C1'-N19 110.221 3.026 . . . . 0.73 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.483 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.951 0 O4'-C1'-N19 110.779 3.724 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.533 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.923 0 O4'-C1'-N19 110.781 3.726 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.533 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.247 0 C3'-C2'-C1' 107.32 3.3 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.593 0 O4'-C1'-N19 110.776 3.721 . . . . 0.96 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.664 0 O4'-C1'-N19 110.534 3.417 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.502 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.525 3.406 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.502 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.444 1 O4'-C1'-N19 111.362 4.452 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.695 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.001 0 O4'-C1'-N19 110.853 3.816 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.695 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.736 0 O4'-C1'-N19 110.912 3.89 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.459 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.13 1 O4'-C1'-N19 111.385 4.481 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.467 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.299 4.374 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.467 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.983 0 O4'-C1'-N19 110.678 3.598 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.512 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.148 0 O4'-C1'-N19 110.859 3.823 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.512 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.013 0 O4'-C1'-N19 110.533 3.416 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 0 C3'-C2'-C1' 107.019 3.085 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 N--CA 1.496 1.632 0 CA-C-O 121.246 0.436 . . . . 8.38 112.03 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -80.83 125.08 29.65 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.259 -0.901 . . . . 7.76 109.623 179.764 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.65 -139.39 0.07 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.219 -0.925 . . . . 4.56 109.758 -179.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -169.12 1.7 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.38 -0.825 . . . . 4.79 108.797 -179.753 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -79.09 107.65 12.01 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.396 -0.815 . . . . 0.85 109.405 -179.235 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.05 131.17 44.69 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.641 -0.662 . . . . 1.46 110.344 -179.749 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -91.59 12.84 19.67 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.41 -0.806 . . . . 2.61 109.204 178.662 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 64.4 t-80 -77.04 -31.83 0.92 Allowed Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.156 -0.965 . . . . 3.96 111.765 -178.869 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 32.5 Cg_exo -57.19 151.29 52.3 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 121.698 1.598 . . . . 1.14 112.113 -178.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.07 177.99 7.09 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.514 2.143 . . . . 1.52 112.654 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.33 22.75 67.05 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.56 -1.016 . . . . 1.41 110.56 179.269 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -92.53 83.62 4.96 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.82 -1.4 . . . . 1.49 109.675 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.3 mp0 -83.02 167.7 17.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.458 -0.776 . . . . 2.59 109.023 179.375 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -105.26 73.17 0.24 Allowed Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 121.145 -0.972 . . . . 2.78 110.259 179.561 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -72.51 134.13 21.89 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.744 1.63 . . . . 1.04 111.522 179.298 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.5 mtt-85 -72.8 -9.52 58.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.197 -0.94 . . . . 4.24 109.518 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.1 m -68.94 -4.72 17.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.945 -1.097 . . . . 1.34 109.907 -179.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.465 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 29.4 mmt180 -106.96 -29.93 9.15 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.286 -0.884 . . . . 1.23 108.859 179.674 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.5 p -101.32 -29.98 11.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.37 -0.831 . . . . 1.1 109.375 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.85 -38.78 89.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.929 -1.107 . . . . 3.48 108.669 179.356 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.401 ' OG ' ' OP2' ' C' ' 114' ' ' ' DA' . 59.1 m -59.71 -28.02 66.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.397 -0.815 . . . . 1.04 109.619 179.279 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.533 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 79.7 mm-40 -92.78 134.29 35.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.072 -1.017 . . . . 1.3 109.921 -178.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -114.6 155.91 45.44 Favored Pre-proline 0 N--CA 1.501 2.106 0 N-CA-C 109.382 -0.599 . . . . 2.67 109.382 -179.5 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -49.01 150.84 6.37 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 C-N-CA 121.708 1.605 . . . . 0.74 111.777 179.475 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -142.46 135.1 28.11 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.228 -0.92 . . . . 1.08 110.133 -179.508 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.7 m -114.87 138.21 51.06 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.489 -0.757 . . . . 1.17 109.922 179.728 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.78 133.02 73.66 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.406 -0.809 . . . . 0.42 109.051 179.132 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -78.72 -7.85 15.71 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 121.525 1.483 . . . . 1.16 112.735 179.721 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.6 mt -99.06 -54.7 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.087 -1.008 . . . . 1.19 111.107 -178.928 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.2 p -115.95 21.65 13.62 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.285 -0.885 . . . . 0.5 110.44 -179.386 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 48.61 18.89 0.2 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.272 -0.892 . . . . 1.1 112.136 178.522 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.18 132.77 54.56 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 107.544 -1.28 . . . . 1.08 107.544 178.336 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.18 112.2 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.995 -1.066 . . . . 1.14 109.573 -179.154 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 34' ' ' ALA . 9.4 mm -109.96 129.58 64.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 107.971 -1.122 . . . . 1.07 107.971 179.209 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.424 HH11 ' HG2' ' A' ' 44' ' ' ARG . 37.9 mtt-85 -72.66 -57.66 3.95 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.305 -0.872 . . . . 2.82 111.248 -178.642 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.498 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 87.0 mt-30 -79.84 131.42 35.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.057 -1.027 . . . . 1.62 111.065 -179.077 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.6 p -64.76 -34.49 78.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.453 -0.78 . . . . 0.93 109.309 179.187 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.533 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -60.84 -30.68 70.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.771 -1.206 . . . . 1.04 107.948 178.762 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -77.47 -25.18 50.27 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.673 -0.862 . . . . 0.34 108.673 179.299 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.07 -51.99 67.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.249 -0.907 . . . . 1.13 109.199 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -61.35 -37.67 84.17 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.572 -1.33 . . . . 3.75 108.469 179.518 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -61.46 -39.56 91.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.232 -0.918 . . . . 0.51 109.014 178.94 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -60.44 -38.37 83.92 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.571 -0.705 . . . . 0.37 109.656 179.582 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.2 mt -58.48 -41.0 84.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.142 -0.974 . . . . 1.12 110.107 -179.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 72.0 mm-40 -74.3 -17.09 60.9 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.057 -1.027 . . . . 2.08 111.641 -179.232 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.7 mt -100.63 -39.51 7.84 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.793 -1.192 . . . . 1.17 112.48 -178.32 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.531 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.1 mmm-85 -109.52 14.65 23.41 Favored 'General case' 0 N--CA 1.51 2.53 0 O-C-N 120.878 -1.139 . . . . 2.91 112.349 -177.423 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 93.7 m-70 -154.63 -69.74 0.13 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.304 -1.498 . . . . 0.67 110.378 -179.835 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -81.66 11.25 4.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.407 -0.808 . . . . 1.04 110.116 -179.56 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -70.57 6.84 1.26 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.367 -0.833 . . . . 1.2 110.267 -179.457 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -89.16 153.25 48.83 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 120.887 -1.133 . . . . 4.01 109.149 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -47.24 129.56 15.91 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 121.896 1.731 . . . . 2.6 112.41 179.661 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.71 135.08 16.28 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.73 -1.348 . . . . 3.27 109.73 179.661 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.497 1.9 0 O-C-N 121.455 -1.027 . . . . 5.54 108.919 179.398 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 0 O4'-C1'-N19 110.548 3.435 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.796 0 O4'-C1'-N19 110.583 3.478 . . . . 0.77 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.152 1 O4'-C1'-N19 111.314 4.392 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.561 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.886 0 O4'-C1'-N19 110.862 3.828 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.561 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.803 1 O4'-C1'-N19 111.399 4.499 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.486 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.699 0 C3'-C2'-C1' 107.079 3.128 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.481 ' H2 ' ' O2 ' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.897 0 O4'-C1'-N19 110.914 3.893 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.502 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.044 4.055 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.515 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.903 0 O4'-C1'-N19 110.92 3.9 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.599 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.784 0 C3'-C2'-C1' 107.022 3.087 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.599 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.689 0 O4'-C1'-N19 110.934 3.918 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 1 O4'-C1'-N19 111.057 4.071 . . . . 0.95 . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.476 ' H73' ' OP2' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.898 0 O4'-C1'-N19 110.209 3.011 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.452 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-N19 110.869 3.836 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.452 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.634 0 C3'-C2'-C1' 106.815 2.939 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.464 H2'' " O4'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.528 0 C3'-C2'-C1' 107.041 3.101 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.481 ' O2 ' ' H2 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.927 1 O4'-C1'-N19 111.251 4.314 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.437 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.889 1 O4'-C1'-N19 111.473 4.591 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.463 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.475 0 O4'-C1'-N19 110.945 3.932 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.495 ' C2 ' ' C5 ' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 111.536 4.67 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.495 ' C5 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.748 0 O4'-C1'-N19 110.707 3.634 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.135 0 C3'-C2'-C1' 106.931 3.022 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 N--CA 1.494 1.508 0 CA-C-O 121.342 0.476 . . . . 8.38 112.185 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -155.16 149.35 25.92 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.268 -0.895 . . . . 7.76 108.956 -179.741 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.06 -139.42 0.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.803 -1.186 . . . . 4.56 109.878 179.638 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -156.59 172.99 17.59 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.925 -0.769 . . . . 4.79 108.925 179.657 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -87.04 102.87 14.83 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.044 -1.035 . . . . 0.85 110.274 -179.387 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.15 119.47 35.71 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.198 -0.939 . . . . 1.46 110.532 179.761 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -91.99 9.86 31.41 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.29 -0.882 . . . . 2.61 109.255 178.441 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.62 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.7 t60 -81.98 -27.95 0.45 Allowed Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.131 -0.981 . . . . 3.96 113.214 -177.475 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 70.1 Cg_exo -52.17 148.99 22.99 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.665 1.577 . . . . 1.14 111.979 -179.165 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.15 166.76 27.22 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.019 1.812 . . . . 1.52 112.574 -179.512 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.91 30.49 63.41 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 109.352 -1.499 . . . . 1.41 109.352 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.449 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.8 t -85.96 98.95 11.1 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.028 -1.278 . . . . 1.49 108.907 -179.854 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -81.91 148.95 28.48 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.771 -0.825 . . . . 2.59 108.771 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -101.32 85.97 0.68 Allowed Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 121.136 -0.978 . . . . 2.78 109.557 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.96 136.79 58.76 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.339 1.36 . . . . 1.04 111.876 -179.182 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -75.16 -11.24 60.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.7 -0.625 . . . . 4.24 111.897 -178.486 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -69.64 -4.55 19.89 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.23 -1.544 . . . . 1.34 109.251 -179.467 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.502 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 19.1 mmt180 -97.65 -21.89 16.77 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.472 -0.767 . . . . 1.23 109.994 -179.274 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.5 p -109.15 -33.6 6.83 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.139 -0.976 . . . . 1.1 110.255 -179.435 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -66.91 -30.91 71.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.854 -1.154 . . . . 3.48 108.715 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.4 m -67.14 -28.65 68.31 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.143 -0.973 . . . . 1.04 108.536 178.855 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.526 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 64.5 mm-40 -95.68 139.96 31.17 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.367 -0.833 . . . . 1.3 109.533 179.555 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -119.81 154.09 54.96 Favored Pre-proline 0 N--CA 1.498 1.935 0 N-CA-C 107.863 -1.162 . . . . 2.67 107.863 178.843 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -43.67 154.31 0.22 Allowed 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 121.713 1.609 . . . . 0.74 112.253 -179.715 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -145.03 142.48 29.8 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.247 -0.908 . . . . 1.08 110.299 179.694 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.7 m -117.42 149.32 40.74 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.548 -0.72 . . . . 1.17 109.645 179.361 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.6 t -86.47 129.88 51.47 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 121.225 -0.922 . . . . 0.42 108.644 178.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.23 -3.81 13.74 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.82 1.68 . . . . 1.16 112.477 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.7 mt -101.31 -55.14 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.337 -0.852 . . . . 1.19 110.033 -179.627 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 41' ' ' ALA . 15.1 p -118.06 26.06 9.91 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.392 -0.818 . . . . 0.5 110.579 -179.297 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 45.17 18.55 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.149 -0.969 . . . . 1.1 112.132 178.709 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . -56.49 137.11 53.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.586 -1.321 . . . . 1.08 107.71 178.185 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -92.75 112.43 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.752 -1.218 . . . . 1.14 109.217 -179.2 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 34' ' ' ALA . 27.1 mm -109.23 127.52 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.892 -1.151 . . . . 1.07 107.892 179.268 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 44' ' ' ARG . 24.9 mtt-85 -71.93 -59.77 2.58 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.952 -1.092 . . . . 2.82 110.652 -179.116 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.466 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 98.2 mt-30 -79.79 137.81 37.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.907 -1.12 . . . . 1.62 110.67 -179.45 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 p -67.57 -32.28 72.93 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.516 -0.74 . . . . 0.93 109.999 179.589 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.526 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -63.34 -31.81 73.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.773 -1.205 . . . . 1.04 108.94 179.778 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -79.56 -14.16 59.04 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.97 -1.081 . . . . 0.34 108.173 179.174 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.6 tp -68.1 -53.25 26.84 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.121 -0.987 . . . . 1.13 108.668 179.183 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -61.78 -36.88 82.36 Favored 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 118.766 -1.174 . . . . 3.75 108.157 179.802 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -62.63 -40.11 95.95 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.431 -0.951 . . . . 0.51 108.431 178.152 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -59.95 -36.98 78.23 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.531 -0.914 . . . . 0.37 108.531 179.544 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.68 -44.64 96.27 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.034 -1.042 . . . . 1.12 109.449 178.888 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 85.4 mt-10 -73.7 -22.68 59.84 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.096 -1.003 . . . . 2.08 111.922 -179.291 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.2 mt -95.27 -40.58 9.48 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.938 -1.101 . . . . 1.17 112.027 -178.172 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.6 mmm-85 -108.44 17.23 22.32 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 120.714 -1.242 . . . . 2.91 111.815 -178.055 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.8 m-70 -153.42 -75.13 0.12 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.27 -1.519 . . . . 0.67 110.627 179.058 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -77.97 12.64 1.69 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.023 -1.048 . . . . 1.04 109.572 -179.568 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -72.79 -8.65 56.48 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.296 -0.877 . . . . 1.2 110.029 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -89.61 130.97 41.36 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 120.918 -1.114 . . . . 4.01 109.485 -179.384 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -79.45 129.62 8.57 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.004 1.803 . . . . 2.6 111.673 179.317 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -170.95 117.97 0.72 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.432 -1.467 . . . . 3.27 109.432 179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.496 1.844 0 CA-C-O 118.055 -0.974 . . . . 5.54 109.109 -179.799 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.68 0 O4'-C1'-N19 110.392 3.24 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.479 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.013 1 O4'-C1'-N19 111.144 4.181 . . . . 0.77 . . . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.479 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.72 3.65 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.48 1 O4'-C1'-N19 111.256 4.32 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.501 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.148 1 O4'-C1'-N19 111.517 4.646 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.501 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.494 0 C3'-C2'-C1' 107.075 3.125 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.399 1 O4'-C1'-N19 111.089 4.112 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.504 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.87 0 O4'-C1'-N19 110.98 3.974 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.481 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.084 0 O4'-C1'-N19 110.505 3.381 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.484 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.234 1 O4'-C1'-N19 111.049 4.061 . . . . 0.86 . . . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.484 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.963 3.954 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.72 3.651 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.523 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.273 0 O4'-C1'-N19 110.246 3.058 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.523 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.628 0 O4'-C1'-N19 110.737 3.671 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.488 " O5'" H2'' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.483 0 O4'-C1'-N19 110.369 3.211 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.595 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.704 0 O4'-C1'-N19 110.508 3.384 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.595 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.579 1 O4'-C1'-N19 111.294 4.368 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.583 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.076 1 O4'-C1'-N19 111.864 5.081 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 1.885 0 O4'-C1'-N19 110.821 3.776 . . . . 0.64 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.685 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.885 0 O4'-C1'-N19 110.886 3.857 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.685 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.693 1 O4'-C1'-N19 111.156 4.195 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . 0.505 ' H6 ' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.503 0 C3'-C2'-C1' 107.031 3.093 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo . . . . . 0 N--CA 1.492 1.432 0 CA-C-O 121.306 0.461 . . . . 8.38 112.075 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -154.99 74.65 0.93 Allowed 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.249 -0.907 . . . . 7.76 109.736 -179.639 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.43 -65.04 0.09 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.996 -1.065 . . . . 4.56 109.126 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -156.05 98.09 1.85 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.498 -0.751 . . . . 4.79 110.091 -179.637 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -88.78 106.69 18.53 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.616 -0.883 . . . . 0.85 108.616 179.05 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.94 109.08 21.13 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.244 -0.91 . . . . 1.46 109.949 -179.869 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -90.78 13.77 15.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.302 -0.874 . . . . 2.61 109.543 179.248 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.402 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -78.08 -49.33 1.96 Allowed Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 120.881 -1.137 . . . . 3.96 110.432 -178.954 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 83.1 Cg_exo -46.44 155.82 0.67 Allowed 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.755 1.637 . . . . 1.14 111.55 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -67.83 177.69 4.01 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 121.893 1.729 . . . . 1.52 112.315 -178.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.06 20.16 76.19 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.812 -1.315 . . . . 1.41 109.812 -179.71 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.59 84.66 5.53 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.185 -1.185 . . . . 1.49 108.741 179.471 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -78.52 148.4 33.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.424 -0.798 . . . . 2.59 109.984 -179.514 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -105.52 75.11 0.3 Allowed Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 121.46 -0.775 . . . . 2.78 110.488 -179.244 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -63.47 138.62 66.34 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.089 1.193 . . . . 1.04 111.123 179.552 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -72.66 -7.52 50.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.282 -0.886 . . . . 4.24 110.237 -179.109 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.8 m -71.24 -6.28 38.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.755 -1.216 . . . . 1.34 109.747 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.504 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 29.1 mmt180 -103.81 -26.69 12.61 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.108 -0.995 . . . . 1.23 110.611 -178.516 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.0 p -99.2 -34.39 10.37 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.896 -1.127 . . . . 1.1 110.265 -179.312 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -63.77 -30.67 71.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.057 -1.027 . . . . 3.48 109.709 179.47 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -56.86 -32.9 66.28 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.093 -1.004 . . . . 1.04 109.7 179.674 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' A' ' 47' ' ' ARG . 58.0 mm-40 -95.63 145.12 25.5 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.043 -1.035 . . . . 1.3 110.418 -179.571 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -112.82 150.41 42.75 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 107.052 -1.462 . . . . 2.67 107.052 178.735 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -44.19 153.0 0.35 Allowed 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.16 1.24 . . . . 0.74 111.583 -179.159 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.45 133.68 21.67 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.211 -0.931 . . . . 1.08 110.984 -179.15 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.7 m -113.45 161.51 17.24 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.505 0.669 . . . . 1.17 109.926 179.557 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 40' ' ' TYR . 5.1 t -105.12 104.55 47.68 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.56 -0.712 . . . . 0.42 110.365 -179.857 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.77 -3.67 0.47 Allowed 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.09 1.86 . . . . 1.16 113.534 179.099 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.8 mt -97.02 -53.01 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.184 0 O-C-N 120.727 -1.233 . . . . 1.19 110.238 -179.038 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.5 p -120.67 14.35 11.76 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.391 -0.818 . . . . 0.5 108.844 179.58 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' CYS . 95.5 m-85 54.43 20.72 2.89 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.649 -0.657 . . . . 1.1 111.017 179.198 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.9 135.91 57.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.55 -1.344 . . . . 1.08 107.551 178.564 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.2 t -93.99 111.74 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.96 -1.087 . . . . 1.14 109.824 -178.71 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.5 mm -112.15 120.26 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 N-CA-C 108.053 -1.092 . . . . 1.07 108.053 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -67.83 -51.46 48.29 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.901 -1.124 . . . . 2.82 111.326 -178.463 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -82.03 132.52 35.26 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.012 -1.055 . . . . 1.62 110.778 -179.463 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.3 p -62.28 -39.51 93.19 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.511 -0.743 . . . . 0.93 109.31 179.053 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.539 ' NH2' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.8 -39.69 85.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.177 -0.952 . . . . 1.04 109.311 179.994 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.44 -31.81 73.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.777 -1.202 . . . . 0.34 109.313 179.041 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.97 -40.84 90.45 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.825 -1.172 . . . . 1.13 109.195 -179.8 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.92 -44.39 94.35 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.997 -1.112 . . . . 3.75 107.997 179.43 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -63.93 -36.79 85.12 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.563 -0.711 . . . . 0.51 109.864 179.111 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -61.34 -42.11 98.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.335 -0.853 . . . . 0.37 109.601 -179.797 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.24 -43.54 96.01 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.363 -0.836 . . . . 1.12 111.254 -179.642 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 77.6 mm-40 -71.45 -25.76 62.44 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.074 -1.016 . . . . 2.08 112.397 -178.189 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.5 mt -98.17 -31.42 12.11 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.82 -1.175 . . . . 1.17 111.949 -177.781 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.558 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 3.3 mmp_? -105.3 0.31 26.97 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.014 -1.054 . . . . 2.91 112.566 -177.602 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.558 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 77.6 m-70 -149.66 -68.31 0.21 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.271 -1.518 . . . . 0.67 111.146 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -76.28 10.13 2.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.027 -1.046 . . . . 1.04 109.455 -178.962 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -69.01 -9.33 51.87 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.707 -1.22 . . . . 1.2 107.707 178.852 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -89.05 158.86 46.41 Favored Pre-proline 0 C--N 1.303 -1.442 0 N-CA-C 108.315 -0.994 . . . . 4.01 108.315 179.496 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -48.52 160.49 0.59 Allowed 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.544 1.496 . . . . 2.6 112.052 179.768 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.35 -87.7 0.03 OUTLIER Glycine 0 N--CA 1.486 1.978 0 N-CA-C 109.7 -1.36 . . . . 3.27 109.7 179.889 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 117.822 -1.085 . . . . 5.54 109.556 -179.618 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.463 1 O4'-C1'-N19 111.312 4.39 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.7 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.243 1 O4'-C1'-N19 111.073 4.091 . . . . 0.77 . . . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.7 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.568 0 O4'-C1'-N19 110.931 3.914 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.435 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.053 1 O4'-C1'-N19 111.246 4.308 . . . . 0.4 . . . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.456 ' OP1' ' NH2' ' A' ' 44' ' ' ARG . . . . . . . . 0 C5'--C4' 1.542 3.931 1 O4'-C1'-N19 111.549 4.686 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.562 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.201 0 C3'-C2'-C1' 106.973 3.052 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.562 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.147 0 O4'-C1'-N19 110.545 3.432 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.916 0 O4'-C1'-N19 110.938 3.923 . . . . 0.67 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.446 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.545 4.238 0 C3'-C2'-C1' 106.861 2.972 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.557 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.392 1 O4'-C1'-N19 111.088 4.11 . . . . 0.86 . . . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.557 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.302 3.128 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.12 0 O4'-C1'-N19 110.473 3.341 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.065 0 O4'-C1'-N19 110.425 3.282 . . . . 1.14 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.411 ' OP2' ' OG ' ' A' ' 30' ' ' SER . . . . . . . . 0 C5'--C4' 1.528 2.17 0 O4'-C1'-N19 110.383 3.228 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.252 3.065 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.454 " H4'" ' OP1' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.381 0 O4'-C1'-N19 110.623 3.528 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.51 ' O2 ' ' NH1' ' A' ' 14' ' ' ARG . . . . . . . . 1 C5'--C4' 1.543 4.025 1 O4'-C1'-N19 112.116 5.394 . . . . 1.95 . . . . . . . . . . 3 2 . 1 . 039 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.449 ' O2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.019 1 O4'-C1'-N19 112.339 5.673 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.437 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.063 0 O4'-C1'-N19 110.871 3.839 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.447 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.162 1 O4'-C1'-N19 111.083 4.104 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.447 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.474 0 O4'-C1'-N19 110.784 3.731 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.735 0 C3'-C2'-C1' 107.159 3.185 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo . . . . . 0 N--CA 1.493 1.473 0 CA-C-O 121.231 0.43 . . . . 8.38 112.06 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -81.9 130.58 35.11 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.083 -1.01 . . . . 7.76 109.683 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.85 44.09 0.22 Allowed 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.715 -0.846 . . . . 4.56 108.715 -179.508 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -76.49 -61.07 2.08 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 116.396 -0.365 . . . . 4.79 110.915 -178.927 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.51 ' NH1' ' O2 ' ' C' ' 117' ' ' ' DC' . 98.3 mtt180 -89.13 88.23 7.47 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.763 -1.211 . . . . 0.85 109.468 -179.824 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.78 120.37 34.89 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.626 -0.671 . . . . 1.46 109.833 179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -96.86 7.49 46.5 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.544 -0.91 . . . . 2.61 108.544 178.852 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.515 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 4.6 m-70 -81.4 -42.0 1.1 Allowed Pre-proline 0 N--CA 1.499 1.977 0 O-C-N 121.425 -0.797 . . . . 3.96 111.245 -178.265 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 88.7 Cg_exo -52.31 151.34 17.84 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 121.969 1.779 . . . . 1.14 113.432 -179.306 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -81.49 -178.97 4.58 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 123.043 2.496 . . . . 1.52 111.781 179.203 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.01 15.59 80.93 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 110.042 -1.223 . . . . 1.41 110.042 178.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.4 ' O ' ' CG2' ' A' ' 21' ' ' THR . 5.1 t -92.53 88.97 6.54 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.978 -1.307 . . . . 1.49 109.933 179.911 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -78.73 144.66 35.03 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.935 -1.103 . . . . 2.59 108.394 178.27 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -97.52 108.68 46.59 Favored Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 121.183 -0.948 . . . . 2.78 110.075 -179.616 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -85.79 148.11 9.59 Favored 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 122.309 2.006 . . . . 1.04 112.396 179.534 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -68.54 -18.58 64.39 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.507 -0.746 . . . . 4.24 109.736 179.67 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -68.63 -6.8 27.91 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.219 -0.926 . . . . 1.34 111.065 -179.424 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 mmt-85 -105.89 -22.69 12.86 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.994 -1.066 . . . . 1.23 110.083 -179.339 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 p -108.77 -35.32 6.43 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.467 -0.771 . . . . 1.1 109.056 179.145 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -64.22 -37.02 85.96 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.563 0.697 . . . . 3.48 109.891 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.411 ' OG ' ' OP2' ' C' ' 114' ' ' ' DA' . 18.1 m -57.31 -28.95 63.52 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.215 -0.928 . . . . 1.04 110.168 -179.296 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -93.51 144.46 25.34 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.653 -1.279 . . . . 1.3 109.66 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -117.81 152.52 50.09 Favored Pre-proline 0 N--CA 1.502 2.146 0 N-CA-C 108.021 -1.103 . . . . 2.67 108.021 179.296 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -42.21 153.55 0.13 Allowed 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.198 1.932 . . . . 0.74 112.906 -179.279 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.68 132.51 21.26 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.235 -0.916 . . . . 1.08 110.442 179.737 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.9 m -113.77 152.02 31.18 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.35 -0.843 . . . . 1.17 109.938 179.747 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.5 t -91.12 129.37 43.98 Favored Pre-proline 0 N--CA 1.489 1.495 0 N-CA-C 109.508 -0.553 . . . . 0.42 109.508 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -80.03 0.17 10.22 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 121.878 1.719 . . . . 1.16 112.722 -179.771 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.5 mt -102.81 -48.78 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.233 -0.917 . . . . 1.19 110.026 -179.576 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.2 p -122.55 14.23 10.21 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.341 -0.849 . . . . 0.5 110.388 -179.626 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 56.83 18.11 3.63 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.979 -1.076 . . . . 1.1 111.061 179.392 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.93 137.09 57.06 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.5 -1.296 . . . . 1.08 107.5 178.655 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -98.15 110.11 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.366 -0.834 . . . . 1.14 109.664 -178.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.5 mm -109.27 129.88 63.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 N-CA-C 106.97 -1.493 . . . . 1.07 106.97 179.049 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.456 ' NH2' ' OP1' ' B' ' 105' ' ' ' DA' . 2.9 mtm180 -74.12 -59.69 2.61 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 119.142 -1.023 . . . . 2.82 110.287 -178.485 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -77.59 131.99 38.08 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.027 -1.045 . . . . 1.62 110.187 -179.084 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.458 ' HG ' ' N ' ' A' ' 47' ' ' ARG . 93.4 p -62.63 -40.0 95.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.595 -0.691 . . . . 0.93 110.369 179.878 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.0 ptp180 -54.75 -42.38 71.59 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.001 -1.062 . . . . 1.04 108.622 -179.011 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.493 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.3 m-20 -66.27 -28.76 68.95 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.727 -0.608 . . . . 0.34 109.955 -179.835 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.22 -44.76 94.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.912 -1.118 . . . . 1.13 109.018 -179.032 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -60.32 -39.87 88.59 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.193 -0.942 . . . . 3.75 108.513 179.398 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -63.92 -36.63 84.58 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.741 -0.837 . . . . 0.51 108.741 179.356 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -63.86 -30.54 71.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.773 -0.579 . . . . 0.37 109.82 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 58' ' ' PHE . 88.7 mt -68.39 -40.22 81.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.201 -0.937 . . . . 1.12 109.53 -179.843 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 88.1 mt-10 -76.83 -17.34 59.06 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.277 -0.89 . . . . 2.08 111.442 -178.737 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.1 mt -96.44 -40.53 9.04 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.19 -1.569 . . . . 1.17 111.558 -179.389 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.578 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.0 mmm180 -108.02 9.66 28.44 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.15 -0.969 . . . . 2.91 112.818 -177.119 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 82.5 m-70 -153.73 -69.77 0.14 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.142 -1.599 . . . . 0.67 110.587 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.498 ' C ' ' H ' ' A' ' 60' ' ' LYS . 49.5 m-85 -78.6 14.25 1.36 Allowed 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.076 -1.015 . . . . 1.04 109.103 -179.26 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -71.37 9.86 0.72 Allowed 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.824 -0.806 . . . . 1.2 108.824 179.19 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' A' ' 58' ' ' PHE . 27.2 mtmm -84.28 146.28 47.55 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.138 -0.976 . . . . 4.01 109.095 -179.884 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.36 150.12 87.49 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.397 2.065 . . . . 2.6 112.474 -178.609 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -162.52 122.06 1.07 Allowed Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.023 -1.631 . . . . 3.27 109.023 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.6 m . . . . . 0 N--CA 1.494 1.73 0 O-C-N 121.249 -1.148 . . . . 5.54 108.686 179.885 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.561 3.451 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.417 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.68 0 O4'-C1'-N19 110.248 3.06 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.417 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.981 0 C3'-C2'-C1' 106.92 3.014 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.638 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.661 0 O4'-C1'-N19 110.956 3.946 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.638 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.388 1 O4'-C1'-N19 112.162 5.453 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.578 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.673 0 C3'-C2'-C1' 106.932 3.023 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.578 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.294 0 O4'-C1'-N19 110.953 3.941 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.537 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.677 0 O4'-C1'-N19 110.953 3.941 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.537 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.422 0 O4'-C1'-N19 110.949 3.936 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.558 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.487 3.359 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.558 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.516 0 O4'-C1'-N19 110.608 3.51 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.674 0 O4'-C1'-N19 110.771 3.714 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.455 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.414 0 O4'-C1'-N19 110.645 3.556 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.465 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.345 1 O4'-C1'-N19 111.358 4.447 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.465 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.234 0 C3'-C2'-C1' 106.718 2.87 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.457 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.55 0 O4'-C1'-N19 110.751 3.688 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.532 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.173 1 O4'-C1'-N19 111.395 4.494 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.532 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.1 1 O4'-C1'-N19 111.045 4.057 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.482 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.078 0 O4'-C1'-N19 110.828 3.785 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.507 ' N2 ' ' C2 ' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.518 0 O4'-C1'-N19 110.919 3.899 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.507 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.704 0 O4'-C1'-N19 110.374 3.217 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 C3'-C2'-C1' 107.038 3.099 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo . . . . . 0 N--CA 1.492 1.434 0 CA-C-O 121.431 0.513 . . . . 8.38 112.146 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -155.54 15.77 0.38 Allowed 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.433 -0.792 . . . . 7.76 109.404 -179.35 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.72 -0.26 0.09 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.14 -0.975 . . . . 4.56 109.589 -179.625 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -154.43 92.55 1.51 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.515 -0.92 . . . . 4.79 108.515 179.815 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -88.05 103.42 15.7 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.077 -1.014 . . . . 0.85 109.142 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.98 129.46 35.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.183 -0.948 . . . . 1.46 110.638 -179.408 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -91.78 10.29 29.07 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.435 -0.95 . . . . 2.61 108.435 178.716 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.636 ' N ' ' HD1' ' A' ' 17' ' ' HIS . 0.8 OUTLIER -78.85 -30.67 0.68 Allowed Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.25 -0.906 . . . . 3.96 113.017 -177.622 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 82.1 Cg_exo -48.44 141.66 18.93 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 121.781 1.654 . . . . 1.14 113.031 -178.316 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -76.39 168.51 23.71 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 122.741 2.294 . . . . 1.52 112.85 -179.668 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.95 35.09 51.17 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.728 -1.349 . . . . 1.41 109.728 179.607 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.27 91.09 7.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -1.162 . . . . 1.49 109.784 -179.542 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -76.87 149.9 36.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.963 -1.086 . . . . 2.59 109.363 179.839 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -107.15 87.2 2.93 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.672 -0.643 . . . . 2.78 111.017 -178.765 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.92 137.69 15.96 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 121.31 1.34 . . . . 1.04 110.404 178.304 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' A' ' 25' ' ' ARG . 16.9 mmt-85 -71.55 -7.82 50.05 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.133 -0.979 . . . . 4.24 109.899 -178.696 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.9 m -72.03 -5.45 35.18 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.121 -0.987 . . . . 1.34 109.937 -179.885 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.478 HH11 ' HG2' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -99.63 -24.75 14.63 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.129 -0.982 . . . . 1.23 110.216 -179.937 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.0 p -105.76 -38.21 6.46 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.023 -1.048 . . . . 1.1 110.471 -179.076 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -68.76 -26.82 65.42 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.05 -1.031 . . . . 3.48 109.828 -179.789 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -58.25 -36.11 72.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.36 -0.837 . . . . 1.04 109.665 -179.281 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.6 ' CG ' HH21 ' A' ' 47' ' ' ARG . 80.0 mm-40 -83.79 149.4 26.44 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.278 -0.889 . . . . 1.3 109.093 179.459 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -113.85 153.06 46.11 Favored Pre-proline 0 N--CA 1.502 2.129 0 N-CA-C 108.527 -0.916 . . . . 2.67 108.527 179.657 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -49.79 153.9 5.4 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.646 1.564 . . . . 0.74 111.174 179.908 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.5 136.92 23.86 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.015 -1.053 . . . . 1.08 111.061 -178.741 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.8 m -115.93 139.84 49.83 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.696 0.76 . . . . 1.17 109.894 178.862 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.5 t -76.31 132.86 72.29 Favored Pre-proline 0 C--N 1.302 -1.487 0 N-CA-C 108.983 -0.747 . . . . 0.42 108.983 179.511 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -79.58 -7.32 14.72 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.322 1.348 . . . . 1.16 112.318 179.772 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.9 mt -99.15 -53.7 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 O-C-N 121.26 -0.9 . . . . 1.19 111.431 -179.11 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.0 p -114.21 15.13 18.23 Favored 'General case' 0 N--CA 1.51 2.538 0 O-C-N 121.092 -1.005 . . . . 0.5 110.02 -179.295 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 53.29 19.68 1.64 Allowed 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.348 -0.845 . . . . 1.1 110.13 179.639 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.42 137.75 57.89 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.578 -1.638 . . . . 1.08 106.578 177.713 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.2 t -93.9 115.0 31.66 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 121.038 -1.039 . . . . 1.14 110.124 -178.903 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 34' ' ' ALA . 35.4 mm -109.2 127.97 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 N-CA-C 107.749 -1.204 . . . . 1.07 107.749 178.899 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.495 ' NH2' ' OP1' ' B' ' 105' ' ' ' DA' . 4.9 mtm180 -74.34 -59.74 2.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.826 -1.171 . . . . 2.82 109.189 -179.43 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -77.73 132.1 37.98 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.685 -0.806 . . . . 1.62 110.78 -178.63 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.407 ' HG ' ' N ' ' A' ' 47' ' ' ARG . 75.8 p -66.63 -34.87 78.83 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.448 -0.783 . . . . 0.93 109.768 -179.866 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.6 HH21 ' CG ' ' A' ' 31' ' ' GLU . 10.5 ptp180 -54.52 -42.95 71.45 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.664 -1.272 . . . . 1.04 108.324 179.601 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.461 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 95.0 m-20 -65.9 -30.74 71.38 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.497 -0.752 . . . . 0.34 110.043 179.751 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.1 tp -54.11 -49.44 69.14 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.924 -1.11 . . . . 1.13 109.053 -178.976 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.444 HH11 ' HG2' ' A' ' 50' ' ' ARG . 16.6 ttt-85 -59.06 -40.5 85.35 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.125 -1.065 . . . . 3.75 108.125 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -66.17 -37.37 85.48 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.517 -0.739 . . . . 0.51 109.841 178.953 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -60.11 -39.67 87.03 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.533 -0.73 . . . . 0.37 109.107 -179.238 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.79 -41.49 97.8 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.012 -1.055 . . . . 1.12 109.617 178.733 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 96.0 mt-10 -70.93 -28.37 64.44 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.225 -0.922 . . . . 2.08 111.736 -179.537 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.6 mt -95.63 -38.95 10.16 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.469 -1.394 . . . . 1.17 112.292 -178.53 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 18.7 mmm180 -102.93 9.78 38.59 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.028 -1.045 . . . . 2.91 112.536 -176.764 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 93.7 m-70 -154.41 -66.62 0.14 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.078 -1.639 . . . . 0.67 111.064 179.896 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.518 ' C ' ' H ' ' A' ' 60' ' ' LYS . 67.7 m-85 -82.78 11.05 6.42 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.897 -1.127 . . . . 1.04 109.965 -179.182 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -68.56 11.76 0.16 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.345 -0.847 . . . . 1.2 109.598 179.672 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' A' ' 58' ' ' PHE . 44.3 pttt -85.97 149.23 50.02 Favored Pre-proline 0 N--CA 1.496 1.848 0 O-C-N 120.965 -1.085 . . . . 4.01 109.245 -179.817 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -46.88 154.05 1.2 Allowed 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.07 1.847 . . . . 2.6 112.343 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.6 -167.12 38.24 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.276 -1.53 . . . . 3.27 109.276 179.667 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.497 1.911 0 CA-C-O 117.95 -1.024 . . . . 5.54 108.994 179.844 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.597 3.497 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.419 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.533 0 O4'-C1'-N19 110.491 3.364 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.419 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.006 0 O4'-C1'-N19 110.222 3.027 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.036 1 O4'-C1'-N19 111.492 4.615 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.366 1 O4'-C1'-N19 111.984 5.23 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.552 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.884 0 O4'-C1'-N19 110.594 3.493 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.497 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.788 0 O4'-C1'-N19 110.56 3.45 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.451 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.981 1 O4'-C1'-N19 111.181 4.226 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 0 O4'-C1'-N19 110.462 3.328 . . . . 1.25 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 0 O4'-C1'-N19 110.765 3.706 . . . . 0.86 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.505 1 O4'-C1'-N19 111.108 4.135 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.583 0 O4'-C1'-N19 110.246 3.057 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 C3'-C2'-C1' 106.964 3.046 . . . . 1.14 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.549 ' C2 ' ' N3 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.063 1 O4'-C1'-N19 111.526 4.657 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.549 ' N3 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.046 0 O4'-C1'-N19 110.295 3.119 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.566 " H4'" ' OP1' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.801 3.751 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.566 ' OP1' " H4'" ' C' ' 116' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.544 4.065 1 O4'-C1'-N19 112.327 5.659 . . . . 1.95 . . . . . . . . . . 3 2 . 1 . 041 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.4 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 P--O5' 1.613 1.98 1 O4'-C1'-N19 111.724 4.904 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.4 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.608 1 O4'-C1'-N19 111.305 4.381 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.498 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.884 5.105 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.498 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.633 3.541 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.392 0 O4'-C1'-N19 110.382 3.228 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 N--CA 1.495 1.613 0 CA-C-O 121.314 0.464 . . . . 8.38 112.166 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -80.4 -6.61 58.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.364 -0.835 . . . . 7.76 109.97 -179.656 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.04 95.66 1.29 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.821 -1.174 . . . . 4.56 110.029 179.861 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -82.66 -79.35 0.19 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.691 -0.803 . . . . 4.79 110.036 179.816 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -85.02 98.5 10.44 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.152 -0.968 . . . . 0.85 109.479 -179.319 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.95 117.45 30.66 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.55 -0.719 . . . . 1.46 110.164 179.921 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -93.65 -2.05 54.49 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.316 -0.865 . . . . 2.61 109.651 179.039 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.616 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 32.6 t-80 -77.54 -32.29 0.92 Allowed Pre-proline 0 N--CA 1.5 2.058 0 O-C-N 121.485 -0.759 . . . . 3.96 112.583 -178.031 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.5 Cg_exo -53.67 149.25 32.78 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.128 1.885 . . . . 1.14 111.962 -179.211 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -76.68 172.89 15.38 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.693 2.262 . . . . 1.52 112.998 179.11 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.54 28.63 61.11 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.857 -1.297 . . . . 1.41 109.857 179.692 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' ' CG2' ' A' ' 21' ' ' THR . 8.6 t -91.64 86.69 6.07 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.022 -1.281 . . . . 1.49 108.052 179.331 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -76.3 148.24 37.65 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.453 -0.779 . . . . 2.59 110.167 -179.119 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -106.78 76.51 0.44 Allowed Pre-proline 0 N--CA 1.499 1.975 0 O-C-N 121.294 -0.878 . . . . 2.78 109.896 179.703 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.03 150.8 85.13 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 121.816 1.678 . . . . 1.04 112.512 -179.575 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.496 HH11 ' HG2' ' A' ' 25' ' ' ARG . 13.5 mtt-85 -70.35 -13.6 62.22 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.983 -1.073 . . . . 4.24 110.841 -179.061 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 m -70.59 -5.01 26.06 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.606 -1.309 . . . . 1.34 109.895 179.962 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.451 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 30.4 mmt180 -108.7 -26.24 10.44 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.146 -0.971 . . . . 1.23 110.494 -178.984 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 p -108.05 -28.88 9.29 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.335 -0.853 . . . . 1.1 110.123 -179.354 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -60.45 -37.73 81.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.963 -1.086 . . . . 3.48 109.607 -179.885 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.8 m -58.86 -30.22 67.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.398 -0.814 . . . . 1.04 108.927 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -84.84 132.98 34.34 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.567 0.699 . . . . 1.3 110.231 -178.956 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -115.18 150.61 44.64 Favored Pre-proline 0 N--CA 1.502 2.153 0 N-CA-C 108.861 -0.792 . . . . 2.67 108.861 179.896 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -50.58 152.84 8.57 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.86 1.707 . . . . 0.74 111.279 -179.587 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -147.29 142.57 27.31 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.002 -1.061 . . . . 1.08 112.32 -178.505 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.5 m -117.19 160.38 21.15 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 121.419 0.628 . . . . 1.17 110.196 178.804 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 40' ' ' TYR . 5.6 t -104.7 104.76 47.51 Favored Pre-proline 0 N--CA 1.501 2.099 0 O-C-N 121.398 -0.814 . . . . 0.42 110.071 179.943 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.42 -4.28 0.75 Allowed 'Trans proline' 0 N--CA 1.502 1.981 0 C-N-CA 121.92 1.747 . . . . 1.16 113.349 179.39 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.1 mt -96.8 -53.25 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 120.717 -1.239 . . . . 1.19 109.688 -179.229 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.1 p -120.31 16.38 12.25 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.414 -0.804 . . . . 0.5 109.205 178.999 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 36' ' ' CYS . 94.2 m-85 52.0 19.19 0.95 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.545 -0.722 . . . . 1.1 110.643 179.503 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.6 138.74 57.63 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.97 -1.493 . . . . 1.08 106.97 178.268 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.61 114.46 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.699 -1.251 . . . . 1.14 110.077 -178.722 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ALA . 33.8 mm -109.06 129.95 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 107.254 -1.387 . . . . 1.07 107.254 178.14 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -71.48 -63.44 1.12 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.728 -1.232 . . . . 2.82 110.281 -178.388 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.588 HE22 ' NH2' ' A' ' 47' ' ' ARG . 85.8 mt-30 -79.63 132.09 36.16 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.129 -0.982 . . . . 1.62 110.252 -179.414 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.5 p -62.54 -35.45 79.47 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.656 -0.652 . . . . 0.93 110.432 179.34 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.588 ' NH2' HE22 ' A' ' 45' ' ' GLN . 27.6 ptt180 -58.96 -36.99 75.74 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.743 -1.223 . . . . 1.04 108.312 179.586 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.88 -29.23 67.48 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.277 -0.89 . . . . 0.34 109.35 179.048 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.1 tp -59.65 -43.55 93.88 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.218 -0.926 . . . . 1.13 109.466 -179.246 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.02 -40.19 84.22 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.337 -1.357 . . . . 3.75 107.337 179.07 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -64.36 -37.04 86.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.612 -0.68 . . . . 0.51 109.491 179.147 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -63.85 -37.65 88.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.375 -0.828 . . . . 0.37 109.565 179.601 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.66 -43.85 93.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.151 -0.968 . . . . 1.12 109.922 -179.631 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 99.2 mt-10 -73.69 -15.12 61.24 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.144 -0.973 . . . . 2.08 111.68 -179.425 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -98.5 -47.13 5.5 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 120.92 -1.113 . . . . 1.17 112.091 -177.873 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.408 HH11 ' HG3' ' A' ' 56' ' ' ARG . 20.3 mmm-85 -104.61 17.93 23.19 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.929 -1.107 . . . . 2.91 112.009 -178.229 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.7 m-70 -151.25 -78.56 0.12 Allowed 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.666 -1.271 . . . . 0.67 110.604 178.998 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -80.4 15.28 1.66 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.801 -1.187 . . . . 1.04 110.496 -179.156 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -70.34 -20.71 62.97 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.047 -1.033 . . . . 1.2 109.202 179.665 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -87.62 149.24 45.88 Favored Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.219 -0.926 . . . . 4.01 109.773 -179.906 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.62 154.56 44.52 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 122.811 2.34 . . . . 2.6 112.156 179.397 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.6 125.59 1.39 Allowed Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.334 -1.507 . . . . 3.27 109.334 -179.7 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 75.0 t . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 117.952 -1.023 . . . . 5.54 109.175 -179.691 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.416 H2'' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.553 0 O4'-C1'-N19 110.334 3.168 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.554 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.275 0 O4'-C1'-N19 110.406 3.258 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.554 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.251 1 O4'-C1'-N19 111.01 4.012 . . . . 0.65 . . . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.435 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.47 1 O4'-C1'-N19 111.158 4.197 . . . . 0.4 . . . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.482 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.534 2.88 1 O4'-C1'-N19 111.25 4.312 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 0 C3'-C2'-C1' 106.939 3.028 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.79 1 O4'-C1'-N19 111.322 4.402 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.535 ' N7 ' ' NH2' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.492 0 O4'-C1'-N19 110.917 3.897 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.456 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.497 0 C3'-C2'-C1' 106.678 2.841 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.429 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.312 0 O4'-C1'-N19 110.427 3.284 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.429 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.687 3.609 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 111.295 4.369 . . . . 0.95 . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.059 0 O4'-C1'-N19 110.345 3.181 . . . . 1.14 . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.407 ' OP2' ' OG ' ' A' ' 30' ' ' SER . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.647 3.558 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.217 0 C3'-C2'-C1' 106.815 2.939 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.729 ' H73' ' OP2' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.676 0 O4'-C1'-N19 110.641 3.551 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.632 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.201 1 O4'-C1'-N19 111.71 4.888 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.632 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.274 1 O4'-C1'-N19 111.249 4.312 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.445 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.101 0 O4'-C1'-N19 110.987 3.984 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.32 1 O4'-C1'-N19 111.14 4.174 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.434 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.407 0 O4'-C1'-N19 110.564 3.455 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . 0.463 ' H6 ' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.356 3.195 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo . . . . . 0 N--CA 1.492 1.434 0 CA-C-O 121.548 0.562 . . . . 8.38 112.654 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -86.82 156.82 19.74 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.394 -0.816 . . . . 7.76 109.631 -179.708 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 121.68 15.66 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.274 -0.891 . . . . 4.56 110.042 -179.379 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -153.13 110.05 3.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.373 -0.829 . . . . 4.79 108.807 179.166 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -84.77 99.74 11.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.163 -0.961 . . . . 0.85 109.264 -179.629 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.22 132.63 48.03 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.599 -0.688 . . . . 1.46 109.231 179.364 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -90.4 11.56 21.15 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.201 -0.937 . . . . 2.61 108.924 178.382 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.618 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.0 m80 -79.32 -28.83 0.56 Allowed Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.438 -0.789 . . . . 3.96 112.621 -177.973 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.5 Cg_exo -54.38 142.61 68.94 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.603 1.535 . . . . 1.14 111.479 -179.125 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.11 171.54 15.03 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.376 2.051 . . . . 1.52 112.581 -179.306 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.88 31.11 62.55 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.822 -1.311 . . . . 1.41 109.822 179.861 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.425 ' HG1' ' NZ ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -88.82 90.93 8.62 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.008 -1.29 . . . . 1.49 108.958 179.98 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -80.51 139.08 36.56 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.355 -0.84 . . . . 2.59 109.262 -179.904 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' NZ ' ' HG1' ' A' ' 21' ' ' THR . 13.0 mptt -105.94 97.69 16.13 Favored Pre-proline 0 N--CA 1.5 2.032 0 O-C-N 121.634 -0.666 . . . . 2.78 109.484 179.849 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -84.37 154.93 12.4 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 C-N-CA 121.466 1.444 . . . . 1.04 111.415 178.735 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.61 -18.93 65.63 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.325 -0.859 . . . . 4.24 110.7 -179.21 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.7 m -70.12 -3.71 17.95 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.641 -1.287 . . . . 1.34 110.844 -179.271 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.535 ' NH2' ' N7 ' ' B' ' 108' ' ' ' DG' . 0.4 OUTLIER -103.05 -29.95 11.05 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.965 -1.084 . . . . 1.23 111.178 -179.612 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 p -110.16 -43.13 4.0 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.154 -0.966 . . . . 1.1 109.495 179.947 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -59.02 -37.87 77.91 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.627 -0.829 . . . . 3.48 109.404 -178.764 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.407 ' OG ' ' OP2' ' C' ' 114' ' ' ' DA' . 51.0 m -58.88 -30.51 67.8 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.286 -0.884 . . . . 1.04 109.521 179.926 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -76.75 134.62 39.11 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.175 -0.953 . . . . 1.3 108.913 179.823 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -117.08 152.13 48.47 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.836 -0.801 . . . . 2.67 108.836 -179.488 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -49.59 155.9 3.34 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.746 1.631 . . . . 0.74 112.462 -179.644 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -145.68 133.89 21.66 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.435 -0.791 . . . . 1.08 109.843 -179.658 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.4 m -113.96 145.05 42.08 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.356 -0.84 . . . . 1.17 110.029 179.349 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -82.11 129.26 64.8 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.295 -0.878 . . . . 0.42 109.028 179.9 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -76.25 -6.01 16.78 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.723 1.616 . . . . 1.16 112.122 -179.893 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.0 mt -100.51 -57.5 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.279 -0.888 . . . . 1.19 110.964 -179.359 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 41' ' ' ALA . 15.2 p -114.07 25.73 10.89 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.445 -0.784 . . . . 0.5 110.201 -179.149 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 43.37 18.03 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.326 -0.859 . . . . 1.1 111.485 178.597 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . -58.96 135.71 57.68 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.358 -1.349 . . . . 1.08 107.358 178.413 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.38 118.56 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.946 -1.097 . . . . 1.14 110.468 -178.7 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' ALA . 36.2 mm -111.16 130.0 65.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 107.638 -1.245 . . . . 1.07 107.638 178.729 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' A' ' 44' ' ' ARG . 9.4 mtt-85 -74.12 -60.94 2.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.552 -1.342 . . . . 2.82 110.735 -178.634 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.57 ' OE1' ' NH1' ' A' ' 47' ' ' ARG . 75.8 mt-30 -81.42 132.44 35.32 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.797 -1.19 . . . . 1.62 109.647 -179.616 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.1 p -63.58 -37.68 88.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.153 -0.967 . . . . 0.93 111.002 -179.154 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.691 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -57.27 -36.2 70.7 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 120.2 -1.563 . . . . 1.04 109.023 -179.818 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.574 ' ND2' HH12 ' A' ' 47' ' ' ARG . 92.4 m-20 -67.53 -29.32 68.69 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.111 -0.993 . . . . 0.34 108.464 178.389 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.0 tp -57.74 -45.82 85.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.92 -1.113 . . . . 1.13 109.787 179.985 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 mtm-85 -60.01 -38.44 82.64 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 117.961 -1.496 . . . . 3.75 107.31 179.834 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' NH2' ' C6 ' ' B' ' 103' ' ' ' DC' . 42.7 ttp180 -62.31 -38.65 90.26 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.731 -0.606 . . . . 0.51 109.395 178.968 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -61.82 -40.15 94.28 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.508 -0.745 . . . . 0.37 110.47 -179.535 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.53 -46.79 87.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.955 -1.091 . . . . 1.12 109.998 -179.218 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 77.9 mm-40 -71.64 -21.86 61.76 Favored 'General case' 0 C--N 1.293 -1.883 0 O-C-N 121.287 -0.883 . . . . 2.08 111.806 -178.791 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.75 -36.99 10.97 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.606 -1.309 . . . . 1.17 111.814 -178.69 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.534 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 21.4 mmm-85 -109.98 16.99 21.55 Favored 'General case' 0 N--CA 1.508 2.425 0 O-C-N 120.759 -1.213 . . . . 2.91 112.636 -177.92 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.1 m-70 -154.83 -72.01 0.12 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.259 -1.525 . . . . 0.67 110.732 179.472 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.495 ' C ' ' H ' ' A' ' 60' ' ' LYS . 86.9 m-85 -81.31 11.71 4.16 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.997 -1.065 . . . . 1.04 109.68 -179.62 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -68.04 5.95 0.82 Allowed 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 108.996 -0.742 . . . . 1.2 108.996 179.669 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 58' ' ' PHE . 9.4 mtmp? -87.07 150.04 48.89 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.41 -0.806 . . . . 4.01 109.013 179.882 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.18 147.27 94.05 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 121.944 1.762 . . . . 2.6 111.903 -179.899 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.61 -131.54 1.37 Allowed Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.646 -1.382 . . . . 3.27 109.646 -179.575 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.498 1.946 0 O-C-N 121.281 -1.129 . . . . 5.54 109.606 -179.896 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 C3'-C2'-C1' 107.027 3.091 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.629 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.3 0 O4'-C1'-N19 110.694 3.617 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.629 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.339 0 O4'-C1'-N19 110.353 3.191 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.571 0 O4'-C1'-N19 110.562 3.453 . . . . 0.4 . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.506 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.536 3.139 0 O4'-C1'-N19 110.923 3.903 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.507 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.865 0 C3'-C2'-C1' 106.875 2.982 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.507 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.453 0 O4'-C1'-N19 110.958 3.948 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.406 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 111.088 4.11 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.544 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.259 3.073 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.544 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.326 0 O4'-C1'-N19 110.59 3.487 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.884 0 O4'-C1'-N19 110.931 3.914 . . . . 0.96 . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.475 1 O4'-C1'-N19 111.142 4.178 . . . . 0.95 . . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.521 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.63 0 C3'-C2'-C1' 107.088 3.134 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.522 ' C2 ' ' N3 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.12 1 O4'-C1'-N19 111.281 4.352 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.522 ' N3 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.498 0 C3'-C2'-C1' 106.92 3.014 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.48 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.174 0 O4'-C1'-N19 110.681 3.601 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.627 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.52 1 O4'-C1'-N19 111.325 4.406 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.627 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.586 1 O4'-C1'-N19 111.772 4.965 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.894 0 O4'-C1'-N19 110.657 3.571 . . . . 0.64 . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.496 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.452 1 O4'-C1'-N19 111.383 4.479 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.496 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.952 0 O4'-C1'-N19 110.974 3.967 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.137 0 O4'-C1'-N19 110.601 3.501 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo . . . . . 0 N--CA 1.493 1.464 0 CA-C-O 121.266 0.444 . . . . 8.38 112.357 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -149.72 157.11 42.91 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.408 -0.808 . . . . 7.76 109.158 -179.53 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.59 -78.32 0.06 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.43 -0.794 . . . . 4.56 109.149 -179.939 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -156.42 -132.56 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.63 -0.878 . . . . 4.79 108.63 -179.583 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.409 HH21 " H1'" ' B' ' 107' ' ' ' DA' . 42.8 mtp180 -88.44 90.54 8.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.064 -1.022 . . . . 0.85 108.34 179.341 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.17 111.23 23.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.34 -0.85 . . . . 1.46 110.392 -179.346 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -86.81 5.91 34.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.417 -0.802 . . . . 2.61 109.221 179.17 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.439 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 10.5 m-70 -78.65 -53.78 1.19 Allowed Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 121.099 -1.001 . . . . 3.96 112.234 -179.027 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 17' ' ' HIS . 2.2 Cg_endo -42.82 163.69 0.04 OUTLIER 'Trans proline' 0 N--CA 1.5 1.888 0 C-N-CA 121.842 1.695 . . . . 1.14 112.346 -179.178 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -66.96 174.44 6.81 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.688 2.259 . . . . 1.52 112.126 -178.903 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.41 13.34 80.61 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.801 -1.319 . . . . 1.41 109.801 -179.888 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.4 t -90.36 87.25 6.73 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.11 -1.23 . . . . 1.49 109.678 -179.765 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -83.03 144.45 29.92 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.641 -0.662 . . . . 2.59 110.08 179.962 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -107.28 69.67 0.27 Allowed Pre-proline 0 N--CA 1.508 2.451 0 O-C-N 121.242 -0.911 . . . . 2.78 111.033 -179.776 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -56.61 148.96 61.19 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.263 1.309 . . . . 1.04 111.245 178.936 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.05 -18.13 62.58 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.121 -0.987 . . . . 4.24 110.222 -179.56 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.5 m -70.1 -4.31 20.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.287 -0.883 . . . . 1.34 110.338 -179.265 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 30.1 mmt180 -92.93 -46.05 7.67 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.095 -1.003 . . . . 1.23 110.313 -179.029 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.4 p -100.81 -28.93 12.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.455 -0.778 . . . . 1.1 110.264 -178.52 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -60.45 -38.74 85.13 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.764 -1.21 . . . . 3.48 108.396 179.106 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.2 m -59.38 -31.8 69.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.283 -0.886 . . . . 1.04 109.178 179.553 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -81.56 143.23 32.14 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.132 -0.98 . . . . 1.3 110.233 -179.553 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -129.99 154.25 81.17 Favored Pre-proline 0 N--CA 1.496 1.834 0 N-CA-C 107.912 -1.144 . . . . 2.67 107.912 179.28 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.11 153.86 11.73 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.735 1.623 . . . . 0.74 111.976 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.44 134.06 21.01 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.16 -0.963 . . . . 1.08 111.119 -179.295 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.8 m -112.32 145.07 40.68 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.315 -0.866 . . . . 1.17 109.606 179.095 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.2 t -82.87 127.4 69.88 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.276 -0.89 . . . . 0.42 109.341 -179.856 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.38 -3.31 13.53 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 121.859 1.706 . . . . 1.16 112.61 -179.534 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.9 mt -100.93 -53.64 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.228 -0.92 . . . . 1.19 110.085 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.5 p -118.96 18.03 13.26 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 121.341 -0.849 . . . . 0.5 110.751 -179.407 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 54.49 16.26 1.25 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.261 -0.899 . . . . 1.1 111.902 178.545 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.16 134.73 56.74 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.575 -1.328 . . . . 1.08 107.587 177.854 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -94.02 117.62 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.914 -1.116 . . . . 1.14 110.07 -179.1 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.6 mm -112.44 131.17 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 107.069 -1.456 . . . . 1.07 107.069 178.508 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.474 HH11 ' HG2' ' A' ' 44' ' ' ARG . 18.0 mtt-85 -74.53 -61.97 1.69 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.662 -1.274 . . . . 2.82 110.537 -178.555 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.643 HE22 ' NH2' ' A' ' 47' ' ' ARG . 88.3 mt-30 -77.33 141.31 39.95 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.13 -0.981 . . . . 1.62 110.294 -179.098 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.4 p -69.33 -36.79 77.3 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.036 -1.04 . . . . 0.93 110.019 179.828 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.643 ' NH2' HE22 ' A' ' 45' ' ' GLN . 26.0 ptt180 -60.04 -34.02 72.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.824 -1.173 . . . . 1.04 108.566 179.659 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.496 ' ND2' ' OE1' ' A' ' 45' ' ' GLN . 99.0 m-20 -69.79 -29.62 66.97 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.935 -0.765 . . . . 0.34 108.935 178.765 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.47 -41.01 93.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.865 . . . . 1.13 109.097 179.281 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -60.01 -39.43 85.78 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.52 -1.289 . . . . 3.75 107.52 179.258 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.488 ' NH2' ' C6 ' ' B' ' 103' ' ' ' DC' . 43.4 ttp180 -67.16 -38.36 85.33 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 109.259 -0.645 . . . . 0.51 109.259 179.194 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -61.65 -41.26 97.27 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.354 -0.841 . . . . 0.37 109.513 179.853 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.07 -39.95 94.14 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.264 -0.898 . . . . 1.12 110.298 -179.916 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 79.2 mm-40 -72.06 -20.29 61.69 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.377 -0.827 . . . . 2.08 111.914 -178.422 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.1 mt -103.72 -32.84 9.17 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.917 -1.114 . . . . 1.17 112.347 -178.13 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.562 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.8 mmm-85 -108.0 6.69 27.34 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.547 -1.346 . . . . 2.91 112.144 -178.073 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 86.0 m-70 -152.32 -68.59 0.16 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.398 -1.439 . . . . 0.67 111.165 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -77.73 8.14 4.87 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.773 -1.204 . . . . 1.04 109.318 -179.536 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -71.17 2.87 4.05 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.64 -0.662 . . . . 1.2 110.148 -179.67 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -85.48 148.74 50.16 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 120.971 -1.081 . . . . 4.01 108.997 179.81 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.41 137.57 40.06 Favored 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 121.852 1.701 . . . . 2.6 111.625 -179.92 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.06 91.75 0.11 Allowed Glycine 0 N--CA 1.488 2.1 0 N-CA-C 109.402 -1.479 . . . . 3.27 109.402 -179.852 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.497 1.906 0 O-C-N 121.456 -1.026 . . . . 5.54 109.109 179.693 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.379 0 O4'-C1'-N19 110.831 3.789 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.141 0 O4'-C1'-N19 110.57 3.463 . . . . 0.77 . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.493 ' C5 ' ' NH2' ' A' ' 51' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 111.124 4.155 . . . . 0.65 . . . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.488 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.014 1 O4'-C1'-N19 111.58 4.725 . . . . 0.4 . . . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.488 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.96 1 O4'-C1'-N19 112.144 5.43 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.57 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.045 0 C3'-C2'-C1' 107.072 3.123 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.57 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.599 1 O4'-C1'-N19 111.02 4.025 . . . . 0.73 . . . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.484 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.949 0 O4'-C1'-N19 110.886 3.857 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.576 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.323 0 O4'-C1'-N19 110.62 3.525 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.576 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.06 0 O4'-C1'-N19 110.6 3.501 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.541 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.26 0 O4'-C1'-N19 110.474 3.343 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.229 1 O4'-C1'-N19 111.562 4.703 . . . . 0.95 . . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.471 ' H71' ' OP2' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.411 0 O4'-C1'-N19 110.35 3.187 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.47 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.747 0 O4'-C1'-N19 110.78 3.725 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.47 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.409 0 O4'-C1'-N19 110.604 3.505 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.532 ' O4 ' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 3.029 0 O4'-C1'-N19 110.402 3.253 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.422 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.92 1 O4'-C1'-N19 111.475 4.594 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.521 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 111.742 4.927 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.521 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.043 1 O4'-C1'-N19 111.103 4.128 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.71 1 O4'-C1'-N19 111.118 4.148 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.669 0 C3'-C2'-C1' 107.009 3.078 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 0 C3'-C2'-C1' 106.831 2.95 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo . . . . . 0 N--CA 1.495 1.601 0 CA-C-O 121.341 0.475 . . . . 8.38 112.366 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' A' ' 13' ' ' LYS . 30.2 mmtp -73.71 173.96 9.07 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.901 -1.124 . . . . 7.76 109.032 179.844 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.87 6.39 0.51 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.102 -0.999 . . . . 4.56 109.367 -179.996 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' A' ' 11' ' ' LYS . 4.5 mptp? -79.22 146.32 33.12 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.171 -0.955 . . . . 4.79 108.919 179.572 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -90.3 100.75 13.52 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.844 -1.16 . . . . 0.85 110.358 -179.705 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.41 109.02 20.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.274 -0.891 . . . . 1.46 109.383 179.14 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -94.76 10.73 34.02 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.521 -0.737 . . . . 2.61 109.423 179.637 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.621 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 68.8 m-70 -82.32 -31.31 0.54 Allowed Pre-proline 0 N--CA 1.498 1.969 0 O-C-N 121.017 -1.052 . . . . 3.96 112.25 -179.016 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 73.6 Cg_exo -49.82 154.31 5.05 Favored 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 122.061 1.84 . . . . 1.14 112.139 -178.755 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -62.25 168.95 8.56 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.628 2.219 . . . . 1.52 112.303 -178.642 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.57 21.21 75.44 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 110.53 -1.028 . . . . 1.41 110.53 179.464 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.408 ' O ' ' CG2' ' A' ' 21' ' ' THR . 5.8 t -91.68 89.82 7.29 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.904 -1.351 . . . . 1.49 109.103 179.394 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -74.76 141.77 44.38 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.124 -0.985 . . . . 2.59 108.672 179.409 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -106.53 88.43 3.36 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.802 -0.562 . . . . 2.78 109.709 -179.434 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.31 137.42 18.89 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 121.659 1.573 . . . . 1.04 111.213 179.512 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.449 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 1.3 mpt_? -73.34 -8.18 54.77 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.526 -0.734 . . . . 4.24 109.587 -179.628 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.4 m -71.09 -5.33 30.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.912 -1.118 . . . . 1.34 109.755 -179.694 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.484 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 9.9 mmt-85 -97.08 -17.16 20.15 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.55 -0.718 . . . . 1.23 109.637 179.852 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.4 p -109.38 -42.97 4.22 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.612 -0.68 . . . . 1.1 110.068 -179.858 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -60.54 -36.13 77.69 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.235 -0.916 . . . . 3.48 110.468 -179.198 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.1 m -62.21 -19.32 63.04 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.258 -1.015 . . . . 1.04 108.258 -179.89 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -92.04 143.85 26.05 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.58 -0.7 . . . . 1.3 110.208 -179.367 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.468 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 4.4 mp0 -116.45 152.82 48.57 Favored Pre-proline 0 N--CA 1.499 2.011 0 N-CA-C 108.974 -0.751 . . . . 2.67 108.974 -179.689 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -57.07 151.88 47.79 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 121.765 1.643 . . . . 0.74 110.783 179.395 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.68 133.31 23.65 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 119.896 -0.722 . . . . 1.08 110.908 -178.849 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.6 m -114.79 140.06 49.22 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.466 0.65 . . . . 1.17 109.791 179.306 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 41' ' ' ALA . 5.3 t -74.76 127.05 87.78 Favored Pre-proline 0 C--N 1.302 -1.461 0 N-CA-C 108.302 -0.999 . . . . 0.42 108.302 179.106 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.99 -2.68 12.9 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.055 1.837 . . . . 1.16 111.908 179.926 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.8 mt -103.13 -59.71 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.297 -0.877 . . . . 1.19 110.061 -179.381 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' ALA . 13.9 p -112.7 27.45 9.62 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.479 -0.763 . . . . 0.5 110.356 -178.57 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 44.84 18.31 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.441 -0.787 . . . . 1.1 111.779 179.202 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . -56.7 134.61 54.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.566 -1.334 . . . . 1.08 107.533 177.783 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -95.79 111.84 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.058 -1.026 . . . . 1.14 110.462 -178.443 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.5 mm -109.79 126.07 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 107.355 -1.35 . . . . 1.07 107.355 178.243 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -70.73 -59.53 2.76 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 118.852 -1.139 . . . . 2.82 110.731 -178.888 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.599 ' NE2' HH21 ' A' ' 47' ' ' ARG . 90.2 mt-30 -79.92 137.9 36.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.301 -0.874 . . . . 1.62 109.262 -179.284 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.6 p -68.28 -38.75 82.01 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.26 -0.9 . . . . 0.93 110.668 -178.923 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.599 HH21 ' NE2' ' A' ' 45' ' ' GLN . 22.4 ptt180 -53.31 -37.64 62.44 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.273 -0.892 . . . . 1.04 108.607 179.873 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -72.39 -25.37 61.48 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.589 -0.695 . . . . 0.34 109.386 178.972 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.13 -48.2 82.71 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.997 -1.064 . . . . 1.13 109.159 -179.663 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -59.74 -40.01 86.65 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.351 -1.352 . . . . 3.75 107.351 179.815 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.493 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 42.8 ttp180 -59.94 -39.57 86.0 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.07 -1.052 . . . . 0.51 109.195 178.6 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -61.45 -36.81 81.45 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.283 -0.885 . . . . 0.37 109.97 -179.375 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.69 -39.94 86.2 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.802 -1.186 . . . . 1.12 109.594 -179.869 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 48.0 mt-10 -74.88 -19.59 60.08 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.325 -0.859 . . . . 2.08 112.81 -178.107 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.9 mt -95.86 -45.08 7.11 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.474 -1.391 . . . . 1.17 112.533 -177.974 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.519 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.8 mmm-85 -107.16 19.56 20.21 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 120.625 -1.297 . . . . 2.91 111.757 -178.015 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 95.6 m-70 -155.35 -75.19 0.11 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 120.341 -1.475 . . . . 0.67 110.736 179.687 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -78.61 10.76 2.95 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.276 -0.89 . . . . 1.04 110.203 -178.94 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -68.8 -16.29 63.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.329 -0.857 . . . . 1.2 108.7 178.885 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -90.94 136.25 27.78 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.27 -0.894 . . . . 4.01 109.484 -179.664 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -48.08 131.59 21.84 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 121.328 1.352 . . . . 2.6 112.528 179.77 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.8 124.26 8.5 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.909 -1.277 . . . . 3.27 109.909 179.971 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.502 2.142 0 O-C-N 121.499 -1.001 . . . . 5.54 109.379 179.802 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.236 0 O4'-C1'-N19 110.827 3.784 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.513 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.513 0 O4'-C1'-N19 110.728 3.66 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.609 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.023 0 O4'-C1'-N19 110.457 3.322 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.609 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.857 0 O4'-C1'-N19 110.968 3.96 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.482 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.973 1 O4'-C1'-N19 111.562 4.702 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.678 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C1'-N19 110.704 3.63 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.678 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.224 0 C3'-C2'-C1' 107.053 3.109 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.459 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.568 1 O4'-C1'-N19 111.113 4.141 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.496 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.365 0 C3'-C2'-C1' 106.974 3.053 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.572 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.572 0 O4'-C1'-N19 110.608 3.509 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.572 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.558 3.447 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.741 0 O4'-C1'-N19 110.909 3.887 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.422 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.835 0 O4'-C1'-N19 110.897 3.871 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.422 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.453 1 O4'-C1'-N19 111.172 4.216 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.279 0 O4'-C1'-N19 110.496 3.37 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.415 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.992 0 O4'-C1'-N19 110.684 3.605 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.489 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.381 1 O4'-C1'-N19 111.135 4.169 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.489 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.377 1 O4'-C1'-N19 111.588 4.735 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.461 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.528 3.409 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.528 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.763 1 O4'-C1'-N19 111.115 4.144 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.528 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.501 1 O4'-C1'-N19 111.315 4.393 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.38 0 O4'-C1'-N19 110.252 3.065 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo . . . . . 0 N--CA 1.494 1.522 0 CA-C-O 120.999 0.333 . . . . 8.38 111.854 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -77.42 151.08 34.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.033 -1.042 . . . . 7.76 109.213 -179.563 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.72 166.83 31.07 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.213 -0.929 . . . . 4.56 108.918 179.929 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -151.74 -60.06 0.16 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.2 -0.937 . . . . 4.79 108.927 179.887 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.404 ' HG2' ' NH1' ' A' ' 14' ' ' ARG . 44.0 mtt-85 -88.66 104.09 16.54 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.445 -0.784 . . . . 0.85 110.13 179.904 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.93 128.56 46.01 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.375 -0.828 . . . . 1.46 110.512 179.818 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -92.83 4.66 53.44 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.36 -0.838 . . . . 2.61 109.565 178.924 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.581 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 50.6 m-70 -80.74 -31.99 0.64 Allowed Pre-proline 0 N--CA 1.498 1.947 0 N-CA-C 113.384 0.883 . . . . 3.96 113.384 -177.534 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 76.9 Cg_exo -50.26 140.15 34.44 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 121.565 1.51 . . . . 1.14 111.951 -179.068 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -76.22 -179.55 5.36 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.201 1.934 . . . . 1.52 111.337 179.837 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.3 31.31 63.74 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.248 -1.541 . . . . 1.41 109.248 -179.753 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.44 ' O ' ' CG2' ' A' ' 21' ' ' THR . 10.1 t -89.32 95.7 10.4 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.248 -1.148 . . . . 1.49 109.53 -179.333 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.34 141.71 38.23 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.188 -1.042 . . . . 2.59 108.188 179.455 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -105.3 74.26 0.26 Allowed Pre-proline 0 N--CA 1.497 1.908 0 O-C-N 121.257 -0.902 . . . . 2.78 111.039 -179.127 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -60.28 146.83 95.66 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.668 1.579 . . . . 1.04 112.201 179.567 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.549 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.4 -16.77 61.84 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.286 -0.884 . . . . 4.24 110.905 -179.06 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.2 m -71.31 -0.51 10.22 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.659 -1.275 . . . . 1.34 110.184 -179.569 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.493 ' NH1' ' N7 ' ' B' ' 107' ' ' ' DA' . 31.2 mmt180 -89.74 -64.0 1.2 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.077 -1.014 . . . . 1.23 110.872 -178.998 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -88.82 -27.36 21.13 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.986 -1.071 . . . . 1.1 111.195 -178.321 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -61.74 -38.39 87.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.669 -1.27 . . . . 3.48 108.793 179.955 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.2 m -60.06 -31.03 69.61 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.603 -0.685 . . . . 1.04 110.689 -179.075 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -92.28 135.16 34.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.784 -1.197 . . . . 1.3 110.015 -178.785 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -113.28 149.37 41.36 Favored Pre-proline 0 N--CA 1.5 2.029 0 N-CA-C 109.116 -0.698 . . . . 2.67 109.116 -179.833 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -38.93 152.41 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.117 1.878 . . . . 0.74 112.065 -179.327 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -145.99 127.38 14.95 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.212 -0.93 . . . . 1.08 109.856 -179.465 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.4 ' CG2' ' N ' ' A' ' 36' ' ' CYS . 77.0 m -108.21 159.03 16.93 Favored 'General case' 0 N--CA 1.499 1.978 0 CA-C-O 121.849 0.833 . . . . 1.17 110.338 -179.699 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.4 ' N ' ' CG2' ' A' ' 35' ' ' THR . 2.6 t -93.98 128.4 41.41 Favored Pre-proline 0 C--N 1.304 -1.409 0 N-CA-C 108.79 -0.818 . . . . 0.42 108.79 179.725 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.07 -5.73 16.06 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.036 1.824 . . . . 1.16 112.278 -179.516 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.1 mt -97.82 -60.04 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.294 -0.879 . . . . 1.19 110.079 -179.554 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.9 p -112.45 23.01 14.05 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.393 -0.817 . . . . 0.5 110.826 -179.076 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 49.21 19.97 0.37 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.184 -0.947 . . . . 1.1 111.065 178.821 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.58 138.23 56.98 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 107.058 -1.46 . . . . 1.08 107.058 178.167 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.7 t -95.75 115.95 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.18 -0.95 . . . . 1.14 110.001 -178.844 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 42.8 mm -113.85 129.82 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 108.037 -1.098 . . . . 1.07 108.037 178.809 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -74.07 -62.37 1.53 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.885 -1.135 . . . . 2.82 111.245 -178.511 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.428 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 91.2 mt-30 -80.16 140.83 36.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.962 -1.086 . . . . 1.62 110.455 -179.743 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.9 p -66.83 -39.24 87.58 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.045 -1.034 . . . . 0.93 110.073 179.904 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' NH1' ' O6 ' ' B' ' 106' ' ' ' DG' . 10.9 ptp180 -54.75 -36.96 65.35 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.654 -1.279 . . . . 1.04 108.522 179.592 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 99.1 m-20 -67.06 -30.76 70.92 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.603 -0.685 . . . . 0.34 109.336 -179.888 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.84 -42.47 89.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.155 -0.966 . . . . 1.13 108.912 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -59.24 -41.74 89.43 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.263 -1.014 . . . . 3.75 108.263 -179.74 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -66.67 -32.54 73.92 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.351 -0.843 . . . . 0.51 110.356 179.322 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -64.07 -43.29 95.9 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.158 -0.964 . . . . 0.37 110.201 -179.217 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.9 mt -62.0 -39.83 93.59 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.207 -0.933 . . . . 1.12 110.385 -179.656 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 98.3 mt-10 -70.05 -29.38 66.38 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.231 -0.918 . . . . 2.08 111.726 -178.507 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.3 mt -98.81 -31.75 11.71 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.852 -1.155 . . . . 1.17 111.995 -178.312 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.545 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 21.3 mmm180 -107.14 8.84 30.35 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.003 -1.061 . . . . 2.91 112.199 -177.257 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.545 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.5 m-70 -155.31 -66.5 0.12 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 120.282 -1.511 . . . . 0.67 111.148 179.451 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -79.55 7.18 8.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.746 -1.221 . . . . 1.04 109.581 -179.068 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -72.22 2.43 5.96 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.516 -0.74 . . . . 1.2 109.042 178.981 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -87.31 155.37 54.47 Favored Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.265 -0.897 . . . . 4.01 109.417 -179.121 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -48.34 162.83 0.29 Allowed 'Trans proline' 0 N--CA 1.488 1.197 0 C-N-CA 121.449 1.433 . . . . 2.6 111.555 178.987 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.12 -1.21 32.71 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.492 -1.043 . . . . 3.27 110.492 -179.568 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 N--CA 1.496 1.829 0 O-C-N 121.146 -1.208 . . . . 5.54 109.723 -179.863 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.445 0 O4'-C1'-N19 110.478 3.348 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.571 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.433 0 O4'-C1'-N19 110.252 3.065 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.571 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.788 0 O4'-C1'-N19 110.876 3.845 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.526 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.345 1 O4'-C1'-N19 111.104 4.13 . . . . 0.4 . . . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.526 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.715 1 O4'-C1'-N19 111.305 4.381 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.473 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.938 0 C3'-C2'-C1' 106.849 2.963 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.473 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.503 0 O4'-C1'-N19 110.757 3.696 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.545 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.937 3.921 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.545 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.884 0 O4'-C1'-N19 110.662 3.577 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.852 0 O4'-C1'-N19 110.472 3.341 . . . . 0.86 . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.503 0 O4'-C1'-N19 110.702 3.628 . . . . 0.96 . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.925 3.906 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.785 0 O4'-C1'-N19 110.345 3.181 . . . . 1.14 . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.051 1 O4'-C1'-N19 111.612 4.766 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.499 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.617 0 C3'-C2'-C1' 106.975 3.053 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.686 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.394 0 C3'-C2'-C1' 107.13 3.164 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.686 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.413 0 O4'-C1'-N19 110.861 3.826 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.462 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.611 1 O4'-C1'-N19 111.613 4.766 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.42 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.152 0 O4'-C1'-N19 110.938 3.922 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.868 0 O4'-C1'-N19 110.698 3.622 . . . . 0.68 . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.831 0 O4'-C1'-N19 110.816 3.77 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.419 3.274 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo . . . . . 0 N--CA 1.49 1.286 0 CA-C-O 121.194 0.414 . . . . 8.38 112.259 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.613 ' NZ ' ' NZ ' ' A' ' 13' ' ' LYS . 7.8 mtpm? -148.37 67.03 1.07 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.228 -0.92 . . . . 7.76 109.629 179.813 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.68 133.27 49.04 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.29 -0.881 . . . . 4.56 109.417 179.84 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.613 ' NZ ' ' NZ ' ' A' ' 11' ' ' LYS . 10.7 ptpt -157.31 175.35 14.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.238 -0.914 . . . . 4.79 109.291 -179.529 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.3 mtt-85 -81.43 92.75 6.49 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.878 -1.139 . . . . 0.85 109.143 179.504 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.53 124.81 38.78 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.341 -0.849 . . . . 1.46 109.378 179.764 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -92.94 10.09 32.75 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.156 -0.965 . . . . 2.61 109.623 179.262 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.633 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 52.8 t-80 -82.68 -30.11 0.49 Allowed Pre-proline 0 N--CA 1.497 1.922 0 O-C-N 121.201 -0.937 . . . . 3.96 112.905 -178.471 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 78.0 Cg_exo -52.46 139.78 55.26 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.162 1.908 . . . . 1.14 113.07 -178.197 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.7 173.4 13.44 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.344 2.029 . . . . 1.52 112.31 179.662 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.47 25.91 64.56 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 110.167 -1.173 . . . . 1.41 110.167 179.455 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 t -91.36 86.71 6.19 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.093 -1.24 . . . . 1.49 109.113 179.75 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -82.85 139.48 33.45 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.91 -1.144 . . . . 2.59 107.91 179.132 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -89.19 112.63 52.35 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 121.05 -1.031 . . . . 2.78 111.28 -178.673 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -86.36 136.42 4.73 Favored 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.285 1.99 . . . . 1.04 111.323 178.181 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.64 -21.11 62.66 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.261 -0.899 . . . . 4.24 110.618 -179.782 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 m -69.46 -2.23 10.63 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.125 -0.985 . . . . 1.34 109.717 -179.181 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' A' ' 27' ' ' ARG . 2.0 mmt-85 -107.72 -26.24 10.91 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 121.3 -0.875 . . . . 1.23 111.026 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 p -109.97 -36.22 5.93 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 120.897 -1.127 . . . . 1.1 109.121 -179.843 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -63.3 -35.65 81.06 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.35 -0.844 . . . . 3.48 110.381 -179.858 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.0 m -60.31 -26.62 66.67 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.768 -1.207 . . . . 1.04 110.448 -179.46 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.494 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 68.9 mm-40 -80.79 135.18 35.92 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.21 -0.931 . . . . 1.3 109.908 -179.609 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -114.91 153.58 47.01 Favored Pre-proline 0 N--CA 1.506 2.368 0 O-C-N 121.342 -0.849 . . . . 2.67 108.806 179.559 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -42.24 152.49 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.858 1.705 . . . . 0.74 112.088 179.151 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.91 131.13 17.42 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.163 -0.96 . . . . 1.08 109.375 179.692 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 m -114.51 160.83 18.78 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.643 -0.66 . . . . 1.17 109.766 -179.365 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.532 ' O ' ' N ' ' A' ' 40' ' ' TYR . 5.4 t -105.4 101.09 29.44 Favored Pre-proline 0 N--CA 1.495 1.802 0 N-CA-C 109.248 -0.649 . . . . 0.42 109.248 179.671 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.93 -3.23 0.43 Allowed 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 122.053 1.836 . . . . 1.16 113.741 -179.685 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.1 mt -95.46 -50.78 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.846 -1.159 . . . . 1.19 109.594 -178.977 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.7 p -121.03 8.14 10.39 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 109.027 -0.731 . . . . 0.5 109.027 179.608 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' CYS . 88.3 m-85 59.22 20.97 9.05 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.894 -0.504 . . . . 1.1 111.32 178.931 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.22 138.47 56.25 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.385 -1.447 . . . . 1.08 107.137 178.075 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -95.73 109.39 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.909 -1.119 . . . . 1.14 109.797 -178.973 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' ALA . 37.9 mm -109.96 129.54 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 N-CA-C 108.806 -0.812 . . . . 1.07 108.806 179.228 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.498 ' NH2' ' OP1' ' B' ' 105' ' ' ' DA' . 4.7 mtm180 -74.61 -56.22 5.05 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.835 -1.166 . . . . 2.82 110.708 -179.343 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.516 ' OE1' ' ND2' ' A' ' 48' ' ' ASN . 98.5 mt-30 -78.43 130.15 35.75 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.841 -1.162 . . . . 1.62 110.45 -179.205 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.3 p -63.22 -39.78 95.6 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.226 -0.921 . . . . 0.93 109.289 179.734 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.494 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -58.09 -41.46 83.51 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 118.552 -1.259 . . . . 1.04 108.821 179.534 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.516 ' ND2' ' OE1' ' A' ' 45' ' ' GLN . 86.1 m-20 -60.84 -35.61 76.99 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.227 -0.921 . . . . 0.34 109.687 179.866 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.86 -39.94 78.97 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.409 -0.959 . . . . 1.13 108.409 179.764 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -58.97 -40.68 85.5 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.82 -1.178 . . . . 3.75 107.82 179.703 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 ttp-105 -65.93 -36.4 83.26 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.83 -0.748 . . . . 0.51 109.006 178.833 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -65.54 -39.42 91.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.469 -0.769 . . . . 0.37 110.585 -179.692 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 58' ' ' PHE . 84.9 mt -59.18 -40.5 85.89 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.609 -1.307 . . . . 1.12 109.212 -179.447 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.64 -24.48 61.06 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.218 -0.926 . . . . 2.08 112.004 -179.447 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -88.68 -43.22 11.48 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.425 -1.422 . . . . 1.17 112.148 -177.279 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.6 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 29.2 mmm-85 -106.09 0.68 25.71 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.952 -1.093 . . . . 2.91 113.286 -176.919 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.6 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 46.5 m-70 -148.34 -65.34 0.25 Allowed 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.079 -1.638 . . . . 0.67 111.491 -179.056 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 53' ' ' LEU . 39.6 m-85 -79.43 21.07 0.51 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.078 -1.014 . . . . 1.04 110.121 -178.746 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.63 5.47 1.06 Allowed 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.534 -0.729 . . . . 1.2 109.668 -179.857 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.529 ' N ' ' CD ' ' A' ' 60' ' ' LYS . 2.0 mptp? -83.45 149.83 58.77 Favored Pre-proline 0 C--N 1.303 -1.431 0 O-C-N 121.234 -0.916 . . . . 4.01 109.456 179.989 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.43 153.01 79.26 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.427 2.085 . . . . 2.6 111.009 179.834 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.13 -169.15 31.25 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.893 -1.683 . . . . 3.27 108.893 -179.719 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.145 -1.209 . . . . 5.54 109.129 -179.972 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.335 3.169 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.545 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.454 0 O4'-C1'-N19 110.379 3.224 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.545 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.794 3.742 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 O4'-C1'-N19 110.603 3.504 . . . . 0.4 . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.286 1 O4'-C1'-N19 111.502 4.627 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.511 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.473 0 O4'-C1'-N19 110.513 3.391 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.511 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.337 0 O4'-C1'-N19 110.441 3.302 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.512 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.411 1 O4'-C1'-N19 111.054 4.068 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.582 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.18 0 O4'-C1'-N19 110.601 3.501 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.582 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.42 0 O4'-C1'-N19 110.438 3.298 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.469 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.601 1 O4'-C1'-N19 111.039 4.049 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.511 0 O4'-C1'-N19 110.461 3.326 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.593 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.487 0 O4'-C1'-N19 110.883 3.854 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.593 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.559 0 O4'-C1'-N19 110.576 3.47 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.442 " O5'" H2'' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.988 0 O4'-C1'-N19 110.763 3.704 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 0 O4'-C1'-N19 110.363 3.204 . . . . 1.1 . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.541 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 111.124 4.156 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.541 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.223 1 O4'-C1'-N19 111.397 4.496 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.267 0 O4'-C1'-N19 110.837 3.797 . . . . 0.64 . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.651 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.413 1 O4'-C1'-N19 111.238 4.298 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.651 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.205 1 O4'-C1'-N19 111.078 4.098 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.373 0 O4'-C1'-N19 110.468 3.336 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 N--CA 1.495 1.592 0 CA-C-O 121.112 0.38 . . . . 8.38 112.018 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -82.35 144.2 30.72 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.26 -0.9 . . . . 7.76 108.771 179.027 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.23 67.02 0.46 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.059 -1.026 . . . . 4.56 109.971 179.522 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -82.25 120.82 25.85 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.661 -0.866 . . . . 4.79 108.661 179.388 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -89.18 92.55 9.23 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.988 -1.116 . . . . 0.85 107.988 179.669 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.91 106.36 18.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.446 -0.784 . . . . 1.46 110.467 -178.826 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -94.88 4.57 53.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.252 -0.905 . . . . 2.61 110.148 179.059 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.599 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 6.7 t60 -83.08 -34.74 0.63 Allowed Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.195 -0.941 . . . . 3.96 112.187 -178.359 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 74.3 Cg_exo -50.84 155.8 5.33 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.843 1.695 . . . . 1.14 111.195 -179.122 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -57.91 165.42 6.67 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.411 2.074 . . . . 1.52 112.089 -179.035 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.59 17.27 73.66 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.097 -1.201 . . . . 1.41 110.097 179.711 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.44 85.45 5.77 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.131 -1.217 . . . . 1.49 108.655 179.424 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -74.99 146.23 41.84 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.094 -1.004 . . . . 2.59 108.932 -179.858 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -105.84 74.15 0.3 Allowed Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.388 -0.82 . . . . 2.78 110.786 -179.291 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.32 138.63 51.68 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 C-N-CA 121.276 1.317 . . . . 1.04 111.259 179.15 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HG2' HH11 ' A' ' 25' ' ' ARG . 6.4 mmt-85 -71.37 -4.31 25.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.322 -0.862 . . . . 4.24 110.053 -179.29 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.3 m -69.54 -2.78 12.3 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.135 -0.978 . . . . 1.34 109.658 -179.909 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.512 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 19.9 mmt180 -106.13 -26.65 11.5 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.16 -0.962 . . . . 1.23 110.037 -179.158 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 p -105.91 -28.71 10.43 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.32 -0.862 . . . . 1.1 109.802 -179.451 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -66.37 -38.75 88.29 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.125 -0.984 . . . . 3.48 109.324 179.591 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.448 ' OG ' ' OP2' ' C' ' 114' ' ' ' DA' . 55.0 m -57.21 -31.64 65.69 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.439 -0.788 . . . . 1.04 109.627 -179.583 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -95.79 142.21 28.34 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.571 0.7 . . . . 1.3 110.09 -179.449 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -116.78 151.43 47.27 Favored Pre-proline 0 N--CA 1.494 1.755 0 N-CA-C 107.627 -1.249 . . . . 2.67 107.627 179.228 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -38.2 154.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 121.873 1.715 . . . . 0.74 112.035 179.722 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.76 137.87 26.76 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.005 -1.059 . . . . 1.08 109.964 179.604 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.7 m -114.91 148.99 37.93 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.417 -0.802 . . . . 1.17 110.153 -179.462 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.0 t -86.14 126.31 65.52 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 108.77 -0.826 . . . . 0.42 108.77 179.776 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.73 -0.45 10.2 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 121.129 1.22 . . . . 1.16 112.373 -179.709 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -104.11 -53.31 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.222 -0.923 . . . . 1.19 110.898 -179.588 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.4 p -118.08 17.04 14.13 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.264 -0.898 . . . . 0.5 110.186 -179.497 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 55.05 14.72 1.01 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.548 -0.72 . . . . 1.1 111.435 178.979 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.54 136.92 49.71 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.47 -1.394 . . . . 1.08 107.931 178.739 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.79 116.34 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.985 -1.072 . . . . 1.14 109.583 -179.093 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.1 mm -109.85 128.51 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.278 -1.379 . . . . 1.07 107.278 178.425 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.428 HH11 ' HG2' ' A' ' 44' ' ' ARG . 16.6 mtt-85 -71.44 -59.75 2.6 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.125 -0.984 . . . . 2.82 110.385 -178.768 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -83.81 139.93 32.37 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.125 -0.984 . . . . 1.62 111.043 -179.325 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -65.76 -36.28 83.11 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.264 -0.898 . . . . 0.93 110.426 179.4 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -59.81 -38.98 83.51 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.679 -1.263 . . . . 1.04 108.795 -179.75 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.06 -28.9 69.19 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.282 -0.886 . . . . 0.34 108.945 179.289 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.4 tp -58.94 -45.1 91.26 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.117 -0.989 . . . . 1.13 109.256 -179.866 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' HG3' ' NH1' ' A' ' 50' ' ' ARG . 42.7 ttm-85 -60.02 -40.07 88.03 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.764 -1.21 . . . . 3.75 108.596 179.703 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -64.8 -36.9 85.8 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.605 -0.685 . . . . 0.51 109.402 179.596 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -63.19 -41.58 99.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.376 -0.828 . . . . 0.37 109.577 -179.962 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.41 -41.62 94.3 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.08 -1.013 . . . . 1.12 109.437 179.759 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 80.0 mm-40 -73.61 -24.41 60.04 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.516 -0.74 . . . . 2.08 112.274 -179.219 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.4 mt -100.58 -38.21 8.45 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.987 -1.071 . . . . 1.17 112.023 -178.037 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 17.5 mmm180 -103.19 12.92 35.09 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.987 -1.07 . . . . 2.91 112.277 -177.0 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.3 m-70 -154.5 -65.81 0.13 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.168 -1.582 . . . . 0.67 111.425 179.49 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -81.52 1.42 33.58 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.047 -1.033 . . . . 1.04 110.267 -178.755 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -72.25 -8.9 57.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.183 -0.948 . . . . 1.2 108.859 179.503 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -90.3 149.17 40.7 Favored Pre-proline 0 N--CA 1.498 1.933 0 O-C-N 121.427 -0.795 . . . . 4.01 109.456 -179.845 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.38 128.37 10.38 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 121.749 1.632 . . . . 2.6 111.925 179.383 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.03 -82.45 0.05 OUTLIER Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.522 -1.431 . . . . 3.27 109.522 179.896 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.499 1.984 0 O-C-N 121.186 -1.185 . . . . 5.54 109.247 179.812 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.528 0 O4'-C1'-N19 110.318 3.147 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.617 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.707 1 O4'-C1'-N19 111.052 4.065 . . . . 0.77 . . . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.617 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.298 0 C3'-C2'-C1' 106.675 2.839 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.524 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.515 1 O4'-C1'-N19 111.113 4.142 . . . . 0.4 . . . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.524 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.529 2.27 1 O4'-C1'-N19 111.099 4.124 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.511 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.701 0 O4'-C1'-N19 110.185 2.982 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . 0.511 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.168 0 O4'-C1'-N19 110.794 3.743 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.538 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.696 1 O4'-C1'-N19 111.417 4.521 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.499 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.821 1 O4'-C1'-N19 111.08 4.101 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.499 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.404 1 O4'-C1'-N19 111.041 4.051 . . . . 0.86 . . . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.94 0 O4'-C1'-N19 110.913 3.891 . . . . 0.96 . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.086 0 O4'-C1'-N19 110.817 3.771 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.725 0 C3'-C2'-C1' 106.944 3.032 . . . . 1.14 . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.412 ' OP2' ' OG ' ' A' ' 30' ' ' SER . . . . . . . . 0 C5'--C4' 1.532 2.606 1 O4'-C1'-N19 111.162 4.202 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.611 0 C3'-C2'-C1' 107.15 3.178 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.479 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.959 0 O4'-C1'-N19 110.892 3.864 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.604 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.589 1 O4'-C1'-N19 111.433 4.541 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.604 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.967 1 O4'-C1'-N19 111.889 5.111 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.56 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.827 3.783 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.56 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.496 1 O4'-C1'-N19 111.163 4.203 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.424 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.755 1 O4'-C1'-N19 111.008 4.01 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.43 0 O4'-C1'-N19 110.491 3.364 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo . . . . . 0 N--CA 1.493 1.497 0 CA-C-O 121.082 0.367 . . . . 8.38 112.581 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -80.79 2.66 25.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.081 -1.012 . . . . 7.76 109.152 -179.517 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.73 169.17 15.05 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.253 -0.904 . . . . 4.56 108.66 179.538 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -80.07 155.09 27.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.758 -1.214 . . . . 4.79 109.691 179.895 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -84.82 107.89 17.21 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.091 -1.006 . . . . 0.85 109.564 -179.816 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.24 105.77 17.75 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.419 -0.801 . . . . 1.46 110.217 179.775 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -92.53 12.87 21.49 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.422 -0.799 . . . . 2.61 109.423 179.122 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.618 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.9 m170 -81.67 -30.18 0.53 Allowed Pre-proline 0 N--CA 1.497 1.877 0 N-CA-C 113.325 0.861 . . . . 3.96 113.325 -178.509 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 69.0 Cg_exo -52.3 155.18 9.81 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.308 2.006 . . . . 1.14 112.476 -178.864 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.74 174.19 4.83 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.401 2.068 . . . . 1.52 111.909 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.64 10.99 85.88 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.823 -1.311 . . . . 1.41 109.823 -179.996 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.455 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.9 t -92.94 86.58 5.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -1.181 . . . . 1.49 109.176 -179.752 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -80.63 153.56 27.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.059 -1.026 . . . . 2.59 109.69 -179.978 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -105.5 70.89 0.22 Allowed Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 122.013 -0.43 . . . . 2.78 110.17 -179.814 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -63.2 135.35 50.15 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.056 1.837 . . . . 1.04 111.106 179.474 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.525 HH11 ' HG2' ' A' ' 25' ' ' ARG . 4.7 mmt-85 -70.04 -5.94 30.1 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.309 -0.869 . . . . 4.24 110.569 -179.212 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.6 m -72.55 -3.88 27.29 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.625 -1.297 . . . . 1.34 109.723 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.538 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 28.6 mmt180 -106.41 -26.4 11.48 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.246 -0.909 . . . . 1.23 109.167 179.692 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.9 p -106.69 -32.17 8.12 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.47 -0.768 . . . . 1.1 109.531 179.785 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -61.0 -37.67 83.34 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.954 -1.091 . . . . 3.48 108.188 179.051 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.412 ' OG ' ' OP2' ' C' ' 114' ' ' ' DA' . 20.3 m -59.96 -29.91 68.73 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.482 -0.761 . . . . 1.04 109.075 179.3 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -83.38 135.44 34.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.188 -0.945 . . . . 1.3 109.462 179.542 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -116.32 151.48 46.88 Favored Pre-proline 0 N--CA 1.499 2.004 0 N-CA-C 108.303 -0.999 . . . . 2.67 108.303 179.105 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -41.5 157.42 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.058 1.839 . . . . 0.74 111.934 179.396 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.35 130.95 17.82 Favored 'General case' 0 N--CA 1.507 2.396 0 O-C-N 120.872 -1.142 . . . . 1.08 110.97 -179.75 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.3 m -116.93 140.73 49.12 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 121.389 -0.82 . . . . 1.17 110.066 179.163 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.7 t -82.01 123.72 79.59 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.389 -0.819 . . . . 0.42 109.302 179.569 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.4 1.14 7.71 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.413 1.409 . . . . 1.16 112.774 -179.626 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.3 mt -104.97 -46.57 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.052 -1.03 . . . . 1.19 110.316 -179.576 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.9 p -125.63 18.63 8.04 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.47 -0.769 . . . . 0.5 110.255 -179.776 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 52.84 18.31 1.03 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.494 -0.754 . . . . 1.1 111.623 178.527 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.63 132.07 52.12 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 107.014 -1.476 . . . . 1.08 107.014 178.125 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 t -93.14 113.23 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.758 -1.214 . . . . 1.14 110.185 -178.802 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 34' ' ' ALA . 41.9 mm -108.92 131.39 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 108.186 -1.042 . . . . 1.07 108.186 179.25 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.471 HH11 ' HG2' ' A' ' 44' ' ' ARG . 24.3 mtt-85 -74.62 -59.46 2.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.616 -1.303 . . . . 2.82 110.7 -179.172 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.674 HE22 ' NH2' ' A' ' 47' ' ' ARG . 73.6 mt-30 -81.93 138.19 35.03 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.212 -0.93 . . . . 1.62 110.22 -179.048 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.7 p -66.94 -38.76 86.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.298 -0.876 . . . . 0.93 110.038 -179.464 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.674 ' NH2' HE22 ' A' ' 45' ' ' GLN . 30.6 ptt180 -53.75 -43.67 69.36 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.848 -1.157 . . . . 1.04 108.43 179.494 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 95.7 m-20 -62.17 -31.75 72.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.512 -0.742 . . . . 0.34 109.802 179.638 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.8 tp -60.11 -42.13 94.08 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 120.999 -1.063 . . . . 1.13 109.4 -179.987 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.52 HH11 ' HG2' ' A' ' 50' ' ' ARG . 19.8 mtt-85 -59.18 -37.4 77.3 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.519 -1.289 . . . . 3.75 107.519 179.585 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 45.5 ttp180 -68.25 -37.42 80.75 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.111 -0.7 . . . . 0.51 109.111 178.838 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -62.71 -39.91 95.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.316 -0.865 . . . . 0.37 109.431 179.84 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.58 -43.19 97.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.943 -1.098 . . . . 1.12 110.173 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 79.9 mm-40 -72.7 -26.8 61.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.002 -1.062 . . . . 2.08 112.12 -178.827 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.0 mt -90.34 -38.77 13.13 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.469 -1.395 . . . . 1.17 112.085 -177.387 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.563 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.6 mmm180 -108.42 8.56 27.52 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.072 -1.017 . . . . 2.91 113.316 -176.911 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 85.2 m-70 -152.56 -69.68 0.16 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 119.943 -1.723 . . . . 0.67 111.38 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.487 ' C ' ' H ' ' A' ' 60' ' ' LYS . 56.8 m-85 -81.54 20.94 0.84 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.18 -0.95 . . . . 1.04 109.724 -178.906 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -71.49 11.71 0.44 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.43 -0.794 . . . . 1.2 109.222 -179.815 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 58' ' ' PHE . 61.7 mttp -84.84 149.97 54.86 Favored Pre-proline 0 N--CA 1.491 1.581 0 N-CA-C 108.494 -0.928 . . . . 4.01 108.494 179.925 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.8 155.18 55.95 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.27 1.98 . . . . 2.6 112.049 -179.339 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.53 161.65 54.43 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 108.954 -1.658 . . . . 3.27 108.954 179.625 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.9 m . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.381 -1.07 . . . . 5.54 109.241 -179.759 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.701 3.627 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.536 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.861 0 C3'-C2'-C1' 106.799 2.928 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.509 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.778 3.722 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.713 1 O4'-C1'-N19 111.021 4.026 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.652 1 O4'-C1'-N19 111.378 4.473 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.09 0 O4'-C1'-N19 110.354 3.192 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 1.81 0 O4'-C1'-N19 110.987 3.983 . . . . 0.73 . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.495 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.445 0 O4'-C1'-N19 110.521 3.401 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.557 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.43 0 O4'-C1'-N19 110.629 3.536 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.557 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.14 0 O4'-C1'-N19 110.376 3.22 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.531 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.735 1 O4'-C1'-N19 111.054 4.068 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.603 3.503 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.531 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.77 0 O4'-C1'-N19 110.331 3.164 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.531 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.782 0 O4'-C1'-N19 110.311 3.139 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.191 0 C3'-C2'-C1' 106.883 2.988 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.442 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O4'-C1'-N19 110.821 3.777 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.481 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.464 1 O4'-C1'-N19 111.458 4.572 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.543 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.667 1 O4'-C1'-N19 111.488 4.61 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.543 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.552 0 O4'-C1'-N19 110.799 3.748 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.545 ' N2 ' ' C2 ' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.359 0 O4'-C1'-N19 110.896 3.87 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.545 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.993 0 O4'-C1'-N19 110.845 3.806 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.5 3.376 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo . . . . . 0 N--CA 1.491 1.328 0 CA-C-O 121.587 0.578 . . . . 8.38 112.229 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -84.2 146.08 28.01 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.514 -0.741 . . . . 7.76 109.638 179.768 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.7 -168.66 2.33 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.111 -0.993 . . . . 4.56 109.454 179.844 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -87.2 141.85 28.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.19 -0.944 . . . . 4.79 109.482 179.687 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -86.52 98.14 10.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.177 -0.952 . . . . 0.85 109.377 -179.657 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.74 129.22 40.16 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.133 -0.979 . . . . 1.46 111.022 -179.353 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -89.77 18.42 5.6 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 109.166 -0.679 . . . . 2.61 109.166 178.445 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.628 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 27.7 m170 -77.26 -31.14 0.83 Allowed Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.333 -0.854 . . . . 3.96 111.52 -179.322 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.6 Cg_exo -54.16 149.61 35.46 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.605 1.537 . . . . 1.14 111.725 -179.496 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -76.95 171.71 17.48 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.267 1.978 . . . . 1.52 112.864 -179.483 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.56 29.63 47.89 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 110.59 -1.004 . . . . 1.41 110.59 179.589 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.442 ' O ' ' CG2' ' A' ' 21' ' ' THR . 9.5 t -91.38 90.92 7.9 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.11 -1.229 . . . . 1.49 110.112 179.907 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -84.72 149.24 25.92 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.622 -0.881 . . . . 2.59 108.622 178.89 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -105.21 81.37 0.61 Allowed Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.683 -0.636 . . . . 2.78 109.537 179.858 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.9 136.09 40.26 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.044 1.163 . . . . 1.04 110.778 179.433 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -67.65 -11.13 57.56 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.462 -0.774 . . . . 4.24 110.16 -178.53 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.1 m -72.47 -5.35 36.17 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.98 -1.075 . . . . 1.34 110.639 -179.464 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 24.5 mmt-85 -102.5 -27.66 12.65 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.09 -1.007 . . . . 1.23 109.836 -179.859 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.2 p -100.52 -30.61 11.7 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.92 -1.113 . . . . 1.1 110.068 -179.219 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -72.93 -30.39 63.85 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.291 -0.88 . . . . 3.48 109.923 178.848 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.2 m -54.9 -32.64 61.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.024 -1.047 . . . . 1.04 109.794 -179.475 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -96.19 151.52 19.42 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.053 -1.029 . . . . 1.3 110.308 -179.851 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -118.08 153.15 51.2 Favored Pre-proline 0 N--CA 1.496 1.857 0 N-CA-C 107.339 -1.356 . . . . 2.67 107.339 178.257 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -47.93 151.25 3.98 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 121.507 1.471 . . . . 0.74 111.297 -179.134 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -141.26 136.4 31.6 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.205 -0.934 . . . . 1.08 110.032 -179.013 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.1 m -114.25 145.12 42.15 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 121.56 0.695 . . . . 1.17 109.473 179.852 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -79.98 129.15 71.39 Favored Pre-proline 0 N--CA 1.492 1.647 0 N-CA-C 108.536 -0.913 . . . . 0.42 108.536 179.259 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.09 -2.0 12.13 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.606 1.537 . . . . 1.16 112.42 -179.252 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.9 mt -102.27 -61.28 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.559 -0.713 . . . . 1.19 110.216 -179.561 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.6 p -110.5 17.51 20.7 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.887 -1.133 . . . . 0.5 110.756 -179.321 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 55.78 16.47 2.03 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.505 -0.747 . . . . 1.1 111.33 178.504 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.78 136.78 56.97 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 107.269 -1.382 . . . . 1.08 107.269 178.402 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 t -94.08 117.82 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.895 -1.128 . . . . 1.14 110.24 -178.686 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.6 mm -113.61 128.16 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 108.115 -1.069 . . . . 1.07 108.115 178.532 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' A' ' 44' ' ' ARG . 26.2 mtt-85 -72.37 -59.99 2.45 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.837 -1.164 . . . . 2.82 111.076 -178.101 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -78.04 139.89 39.12 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.031 -1.043 . . . . 1.62 110.079 -179.273 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.4 p -66.38 -36.9 84.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.425 -0.797 . . . . 0.93 109.598 179.699 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.494 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 10.1 ptp180 -58.44 -44.15 89.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.098 -1.002 . . . . 1.04 108.505 -179.827 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.494 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 97.6 m-20 -63.7 -27.28 69.1 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.524 -0.735 . . . . 0.34 109.98 179.733 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.4 tp -59.48 -49.92 75.93 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.619 -1.301 . . . . 1.13 109.186 -179.469 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' HG3' HH11 ' A' ' 50' ' ' ARG . 31.7 ttm-85 -58.64 -40.32 83.06 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 118.562 -1.255 . . . . 3.75 108.733 -179.062 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -60.89 -38.45 85.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.333 -0.854 . . . . 0.51 109.223 178.802 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -60.8 -35.46 76.53 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.028 -0.73 . . . . 0.37 109.028 179.729 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.6 -44.53 93.35 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.159 -0.963 . . . . 1.12 109.436 179.786 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 80.0 mm-40 -72.99 -24.92 60.82 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.195 -0.94 . . . . 2.08 112.446 -179.117 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.3 mt -88.52 -46.38 9.14 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.318 -1.488 . . . . 1.17 112.263 -177.33 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.517 ' NH2' ' OP1' ' B' ' 102' ' ' ' DC' . 3.7 mmp_? -105.94 17.27 23.89 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 120.934 -1.104 . . . . 2.91 112.627 -176.966 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -152.04 -74.96 0.14 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.204 -1.56 . . . . 0.67 109.956 179.103 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -80.96 18.21 1.06 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.444 -0.785 . . . . 1.04 110.224 -179.297 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -70.49 -0.55 8.65 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.33 -0.856 . . . . 1.2 109.175 179.822 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -87.05 155.86 55.04 Favored Pre-proline 0 N--CA 1.49 1.56 0 N-CA-C 108.395 -0.965 . . . . 4.01 108.395 179.584 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -46.24 137.46 14.05 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 121.614 1.543 . . . . 2.6 111.413 -179.996 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.71 137.37 46.67 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.031 -1.627 . . . . 3.27 109.031 -179.954 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.496 1.862 0 O-C-N 121.173 -1.192 . . . . 5.54 110.038 -179.312 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.917 0 O4'-C1'-N19 110.542 3.428 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.498 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.387 0 O4'-C1'-N19 110.494 3.367 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.498 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.482 0 O4'-C1'-N19 110.646 3.558 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.435 ' C2 ' ' C2 ' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.32 1 O4'-C1'-N19 111.152 4.189 . . . . 0.4 . . . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.477 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.532 2.682 1 O4'-C1'-N19 112.181 5.476 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.481 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.647 0 C3'-C2'-C1' 106.763 2.902 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.69 3.612 . . . . 0.73 . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.402 ' O6 ' ' CZ ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.791 1 O4'-C1'-N19 111.558 4.698 . . . . 0.67 . . . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.482 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.592 0 O4'-C1'-N19 110.831 3.789 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.572 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.287 0 O4'-C1'-N19 110.692 3.615 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.572 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.905 0 O4'-C1'-N19 110.786 3.732 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 1 O4'-C1'-N19 111.101 4.127 . . . . 0.95 . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.498 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.871 0 C3'-C2'-C1' 107.116 3.154 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.498 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.402 1 O4'-C1'-N19 111.023 4.029 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . 0.421 ' N3 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.366 0 C3'-C2'-C1' 106.776 2.911 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.553 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.115 0 O4'-C1'-N19 110.452 3.315 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.557 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.516 1 O4'-C1'-N19 111.127 4.158 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.557 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.333 1 O4'-C1'-N19 111.063 4.079 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.589 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.11 0 O4'-C1'-N19 110.887 3.858 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.589 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.256 1 O4'-C1'-N19 111.173 4.216 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.463 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.516 0 O4'-C1'-N19 110.724 3.655 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . 0.531 ' H6 ' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.768 0 C3'-C2'-C1' 107.03 3.093 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo . . . . . 0 N--CA 1.494 1.535 0 CA-C-O 121.257 0.44 . . . . 8.38 111.656 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -84.05 139.9 32.19 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.339 -0.85 . . . . 7.76 110.252 -178.923 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.38 120.25 14.9 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.085 -1.009 . . . . 4.56 109.329 179.955 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -85.66 121.07 27.81 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.758 -1.214 . . . . 4.79 109.588 179.916 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' NH1' ' O2 ' ' C' ' 117' ' ' ' DC' . 96.1 mtt180 -87.23 93.57 9.42 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.014 -1.054 . . . . 0.85 109.437 179.787 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.19 122.82 35.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.222 -0.924 . . . . 1.46 109.751 179.903 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -93.2 15.6 15.0 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.338 -0.851 . . . . 2.61 109.59 179.0 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.639 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 39.2 t-80 -80.34 -31.41 0.64 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.296 -0.877 . . . . 3.96 112.317 -178.45 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 83.1 Cg_exo -51.63 146.33 27.14 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.996 1.797 . . . . 1.14 112.278 -178.628 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.41 174.16 12.26 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.303 2.002 . . . . 1.52 112.373 179.271 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.57 28.87 66.63 Favored Glycine 0 N--CA 1.489 2.208 0 C-N-CA 119.971 -1.109 . . . . 1.41 110.498 179.317 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.94 87.73 6.74 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.886 -1.361 . . . . 1.49 109.297 179.872 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -80.25 139.69 36.57 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.338 -0.986 . . . . 2.59 108.338 179.012 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -90.31 112.57 53.44 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.321 -0.862 . . . . 2.78 110.446 -179.238 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -85.78 133.42 4.33 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.076 1.851 . . . . 1.04 111.466 179.207 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -69.05 -10.93 60.04 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.118 -0.989 . . . . 4.24 110.155 -179.498 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -71.43 -6.64 41.81 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.059 -1.025 . . . . 1.34 109.326 179.364 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.519 HH11 ' HG2' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -104.14 -25.53 12.91 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.237 -0.915 . . . . 1.23 109.882 179.67 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -105.11 -35.89 7.46 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.378 -0.826 . . . . 1.1 109.309 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -60.42 -33.84 73.08 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.387 -0.82 . . . . 3.48 108.941 179.581 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -67.64 -22.22 65.33 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.673 -0.642 . . . . 1.04 109.636 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -91.44 138.41 31.6 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.266 -0.896 . . . . 1.3 110.089 -178.859 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -120.28 153.28 55.73 Favored Pre-proline 0 N--CA 1.503 2.208 0 O-C-N 121.52 -0.737 . . . . 2.67 109.1 179.725 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -44.29 151.81 0.5 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.754 1.636 . . . . 0.74 111.639 179.602 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 43' ' ' ILE . . . -147.06 127.58 14.11 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.438 -0.789 . . . . 1.08 109.474 -179.981 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.7 m -110.62 152.56 26.32 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.316 -0.865 . . . . 1.17 109.782 -179.579 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.7 t -87.66 128.63 53.81 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.946 . . . . 0.42 109.325 -179.965 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.34 -0.68 10.36 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 121.4 1.4 . . . . 1.16 113.012 -179.632 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.412 HG22 HD11 ' A' ' 38' ' ' ILE . 82.9 mt -105.65 -60.56 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 121.027 -1.045 . . . . 1.19 111.116 -179.306 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.2 p -108.98 15.27 23.53 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.193 -0.942 . . . . 0.5 110.097 -178.652 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 55.07 20.29 3.19 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.477 -0.765 . . . . 1.1 111.329 179.58 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.0 135.83 57.75 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.433 -1.321 . . . . 1.08 107.433 178.12 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 t -94.7 113.47 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.939 -1.1 . . . . 1.14 110.349 -178.692 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 34' ' ' ALA . 33.6 mm -110.75 129.89 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 N-CA-C 107.664 -1.236 . . . . 1.07 107.664 177.908 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.53 HH11 ' HG2' ' A' ' 44' ' ' ARG . 19.6 mtt-85 -72.37 -60.13 2.38 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.828 -1.17 . . . . 2.82 110.278 -179.072 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.525 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 86.5 mt-30 -77.97 137.86 38.54 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.918 -1.114 . . . . 1.62 110.691 -179.092 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.5 p -67.82 -37.78 82.41 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.545 -0.722 . . . . 0.93 110.686 -179.718 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.525 ' NH2' ' OE1' ' A' ' 45' ' ' GLN . 26.3 ptt180 -59.92 -38.36 82.13 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.048 -1.032 . . . . 1.04 108.972 -179.437 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.413 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 86.1 m-20 -68.06 -28.49 67.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.232 -0.918 . . . . 0.34 109.204 179.358 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.07 -45.99 91.06 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.371 -0.831 . . . . 1.13 109.662 179.766 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -59.74 -39.17 83.85 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.572 -1.27 . . . . 3.75 107.572 -179.706 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -63.63 -35.47 80.64 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.747 -0.781 . . . . 0.51 108.958 178.534 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -63.48 -35.94 82.13 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.463 -0.773 . . . . 0.37 109.048 -179.959 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.91 -40.95 90.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.44 -0.788 . . . . 1.12 109.223 179.443 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 80.3 mm-40 -74.21 -22.97 59.15 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.218 -0.927 . . . . 2.08 111.991 -179.127 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.5 mt -92.67 -44.61 8.47 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 120.545 -1.347 . . . . 1.17 112.522 -178.179 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.526 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 16.4 mmm180 -105.13 16.46 25.77 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.774 -1.204 . . . . 2.91 112.685 -177.251 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.526 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.7 m-70 -152.52 -71.29 0.15 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.28 -1.513 . . . . 0.67 111.145 179.945 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -79.86 9.23 5.52 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.154 -0.966 . . . . 1.04 109.68 -179.12 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -73.23 6.43 2.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.338 -0.852 . . . . 1.2 109.324 179.87 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -84.7 151.54 58.5 Favored Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 121.25 -0.906 . . . . 4.01 109.308 -179.965 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -46.59 168.35 0.06 OUTLIER 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 121.961 1.774 . . . . 2.6 112.801 179.249 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -149.99 -126.93 1.46 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.232 -1.547 . . . . 3.27 109.232 -179.862 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.9 t . . . . . 0 N--CA 1.497 1.876 0 O-C-N 121.233 -1.157 . . . . 5.54 109.248 179.843 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.868 -0.419 . . . . 0.93000000000000005 109.868 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -92.14 11.68 24.7 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 107.94 -1.133 . . . . 2.1000000000000001 107.94 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.602 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 8.4 t-80 -82.16 -31.59 0.56 Allowed Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.492 -0.755 . . . . 3.25 112.912 -177.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.9 Cg_exo -53.15 154.23 14.43 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.861 1.707 . . . . 1.0 112.158 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.72 164.67 34.65 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.448 2.099 . . . . 1.3700000000000001 112.467 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.28 37.73 47.58 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 109.509 -1.437 . . . . 1.3 109.509 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 21' ' ' THR . 11.0 t -93.29 85.38 4.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.113 -1.227 . . . . 1.05 108.555 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -81.79 144.36 31.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.943 -1.098 . . . . 2.5899999999999999 109.286 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -106.67 76.61 0.44 Allowed Pre-proline 0 N--CA 1.495 1.775 0 O-C-N 121.522 -0.736 . . . . 2.3199999999999998 110.211 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.35 142.71 41.7 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.849 1.7 . . . . 0.85999999999999999 111.679 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -73.53 -5.85 42.77 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.43 -0.794 . . . . 3.7400000000000002 109.545 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 m -66.77 -1.87 4.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.036 -1.04 . . . . 0.87 109.194 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -105.7 -27.76 11.12 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.159 -0.963 . . . . 1.0600000000000001 109.07 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.1 p -101.66 -35.05 9.24 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.484 -0.76 . . . . 0.66000000000000003 109.049 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -59.55 -39.48 84.13 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.504 -0.747 . . . . 2.8199999999999998 109.813 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.6 m -60.18 -29.76 68.9 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.232 -0.918 . . . . 0.44 111.28 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.452 ' CG ' HH21 ' A' ' 47' ' ' ARG . 81.2 mm-40 -95.15 145.4 25.04 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.86 -1.15 . . . . 1.3 110.185 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -119.05 151.72 50.93 Favored Pre-proline 0 N--CA 1.5 2.04 0 N-CA-C 108.33 -0.989 . . . . 2.0699999999999998 108.33 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -38.93 156.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.159 0 C-N-CA 121.865 1.71 . . . . 0.47999999999999998 112.04 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.503 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -147.49 135.99 21.77 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.181 -0.949 . . . . 0.27000000000000002 110.035 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 m -116.4 149.65 39.06 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.706 -0.621 . . . . 0.39000000000000001 109.524 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.2 t -88.11 127.24 58.17 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 121.311 -0.868 . . . . 0.41999999999999998 108.669 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.15 -6.17 17.62 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 121.111 1.208 . . . . 0.80000000000000004 111.911 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.8 mt -97.2 -55.92 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.236 -0.915 . . . . 0.53000000000000003 111.118 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.9 p -115.63 15.64 16.54 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.327 -0.858 . . . . 0.46999999999999997 109.891 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 55.3 19.98 3.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.503 -0.748 . . . . 0.66000000000000003 111.054 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.606 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.33 140.04 57.33 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.332 -1.359 . . . . 0.38 107.332 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.63 111.62 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 O-C-N 120.848 -1.157 . . . . 0.41999999999999998 110.988 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.0 mm -109.62 129.99 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 N-CA-C 107.758 -1.201 . . . . 0.26000000000000001 107.758 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -70.86 -56.39 6.4 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.914 -1.116 . . . . 2.0499999999999998 111.281 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.46 133.22 35.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.331 -0.856 . . . . 1.22 111.032 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -61.99 -36.97 83.1 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.359 -0.838 . . . . 0.34999999999999998 109.669 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.5 ptp180 -60.17 -43.04 96.15 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.586 -1.321 . . . . 0.85999999999999999 108.756 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.459 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 96.2 m-20 -64.49 -28.68 69.82 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.325 -0.859 . . . . 0.33000000000000002 109.381 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.503 HD22 ' HB1' ' A' ' 34' ' ' ALA . 54.5 tp -59.44 -45.33 91.88 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.836 -1.165 . . . . 0.37 109.342 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -58.29 -41.97 85.54 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.983 -1.073 . . . . 3.2400000000000002 109.196 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -62.05 -37.37 84.71 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.404 -0.81 . . . . 0.45000000000000001 109.33 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -61.39 -32.87 72.81 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.238 -0.914 . . . . 0.33000000000000002 108.923 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.7 mt -60.01 -49.26 78.38 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.085 -1.009 . . . . 0.44 109.115 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.637 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 14.6 mp0 -70.45 -24.42 62.88 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.085 -1.009 . . . . 2.0800000000000001 111.05 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.26 -59.66 2.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.657 -1.277 . . . . 0.5 111.681 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.423 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 18.8 mmm180 -103.53 21.03 16.8 Favored 'General case' 0 N--CA 1.511 2.622 0 O-C-N 120.673 -1.267 . . . . 2.21 113.156 -177.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 91.8 m-70 -150.9 -73.26 0.16 Allowed 'General case' 0 N--CA 1.509 2.486 0 O-C-N 119.964 -1.71 . . . . 0.67000000000000004 110.6 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -84.13 25.16 0.86 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.105 -0.997 . . . . 0.88 110.031 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.421 -0.8 . . . . 1.0700000000000001 109.83 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.133 0.492 . . . . 0.93000000000000005 110.735 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -90.44 3.36 54.07 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 109.01 -0.737 . . . . 2.1000000000000001 109.01 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.578 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 14.2 m-70 -74.71 -30.79 1.08 Allowed Pre-proline 0 N--CA 1.498 1.951 0 O-C-N 121.172 -0.955 . . . . 3.25 113.419 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 63.5 Cg_exo -54.0 144.84 55.2 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 121.493 1.462 . . . . 1.0 112.402 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.99 171.37 18.09 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.46 2.107 . . . . 1.3700000000000001 112.326 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.18 27.7 65.66 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 110.194 -1.162 . . . . 1.3 110.194 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.76 HG23 ' O ' ' A' ' 21' ' ' THR . 9.8 t -89.72 90.93 8.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.184 -1.186 . . . . 1.05 108.663 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -78.93 140.79 37.99 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.036 -1.04 . . . . 2.5899999999999999 109.419 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -106.26 74.03 0.32 Allowed Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.711 -0.618 . . . . 2.3199999999999998 109.715 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.42 148.4 87.99 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 121.675 1.583 . . . . 0.85999999999999999 111.015 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' A' ' 25' ' ' ARG . 41.9 mtt-85 -71.08 -6.36 38.58 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.655 -1.278 . . . . 3.7400000000000002 110.522 -178.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 m -74.01 -0.75 17.32 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.028 -1.045 . . . . 0.87 109.691 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -102.78 -29.1 11.69 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.095 -1.003 . . . . 1.0600000000000001 110.841 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 p -105.63 -39.69 6.0 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.071 -1.018 . . . . 0.66000000000000003 110.347 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -64.14 -28.75 69.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.006 -1.059 . . . . 2.8199999999999998 109.746 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.637 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 48.3 m -59.02 -30.0 67.68 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.322 -0.861 . . . . 0.44 109.582 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -95.95 142.67 27.91 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.299 -1.0 . . . . 1.3 108.299 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.637 ' NE2' ' O ' ' A' ' 30' ' ' SER . 22.7 mp0 -113.25 150.52 43.17 Favored Pre-proline 0 N--CA 1.501 2.077 0 N-CA-C 108.935 -0.765 . . . . 2.0699999999999998 108.935 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -39.79 154.39 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.16 0 C-N-CA 121.89 1.727 . . . . 0.47999999999999998 112.081 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.93 132.85 21.27 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.146 -0.972 . . . . 0.27000000000000002 110.649 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 36' ' ' CYS . 29.5 m -112.7 159.78 18.58 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.98 -0.748 . . . . 0.39000000000000001 108.98 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' TYR . 7.5 t -106.6 103.09 44.94 Favored Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.242 -0.911 . . . . 0.41999999999999998 110.448 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -54.49 -4.09 0.29 Allowed 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.057 1.838 . . . . 0.80000000000000004 113.551 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -97.43 -53.66 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 120.755 -1.215 . . . . 0.53000000000000003 110.251 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.5 p -118.27 12.11 13.34 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-O 121.833 0.825 . . . . 0.46999999999999997 108.848 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' CYS . 80.3 m-85 55.31 19.17 2.86 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 116.122 -0.49 . . . . 0.66000000000000003 110.725 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.596 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.49 140.28 54.26 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.799 -1.188 . . . . 0.38 107.901 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -95.19 114.54 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.199 -0.938 . . . . 0.41999999999999998 109.65 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 34' ' ' ALA . 30.1 mm -110.93 129.05 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 107.002 -1.481 . . . . 0.26000000000000001 107.002 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -74.13 -62.96 1.33 Allowed 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 117.931 -1.507 . . . . 2.0499999999999998 109.652 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -76.25 138.33 40.51 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.276 -0.89 . . . . 1.22 110.915 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.6 p -68.1 -35.13 77.65 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.406 -0.809 . . . . 0.34999999999999998 110.57 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 12.6 ptp180 -58.95 -39.75 82.61 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.817 -1.177 . . . . 0.85999999999999999 108.179 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 97.9 m-20 -64.77 -31.37 72.57 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.609 -0.682 . . . . 0.33000000000000002 109.332 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.35 -43.04 88.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.37 108.927 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -59.41 -40.69 87.48 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.295 -1.002 . . . . 3.2400000000000002 108.295 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -67.42 -36.4 81.17 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.964 -0.694 . . . . 0.45000000000000001 109.479 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -65.7 -38.72 89.99 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.564 -0.71 . . . . 0.33000000000000002 109.833 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' PHE . 94.0 mt -59.67 -41.67 91.14 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.002 -1.061 . . . . 0.44 109.376 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.756 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 70.1 mm-40 -73.27 -24.72 60.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.408 -0.807 . . . . 2.0800000000000001 111.715 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.3 mt -85.69 -42.92 13.85 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.431 -1.418 . . . . 0.5 113.093 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.563 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.7 mmm180 -107.15 -0.29 22.88 Favored 'General case' 0 N--CA 1.506 2.351 0 O-C-N 120.858 -1.152 . . . . 2.21 112.725 -176.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 32.6 m-70 -145.64 -65.73 0.31 Allowed 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.536 -1.352 . . . . 0.67000000000000004 111.532 -178.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' LEU . 54.0 m-85 -81.97 20.08 1.04 Allowed 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.004 -1.06 . . . . 0.88 110.24 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 107.929 -1.137 . . . . 1.0700000000000001 107.929 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 120.974 0.416 . . . . 0.93000000000000005 110.102 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -95.12 9.21 40.46 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.333 -0.855 . . . . 2.1000000000000001 108.925 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.6 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 14.0 m-70 -84.03 -31.8 0.49 Allowed Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.479 -0.763 . . . . 3.25 112.886 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 61.4 Cg_exo -52.31 139.24 54.85 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 121.695 1.596 . . . . 1.0 112.177 -178.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.79 177.95 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.11 1.207 . . . . 1.3700000000000001 111.54 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.98 26.09 69.79 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 120.178 -1.011 . . . . 1.3 110.976 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 21' ' ' THR . 14.6 t -90.93 97.53 11.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.76 -1.435 . . . . 1.05 109.218 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -82.25 149.7 27.7 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.277 -0.89 . . . . 2.5899999999999999 109.964 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -107.07 76.03 0.45 Allowed Pre-proline 0 N--CA 1.505 2.275 0 O-C-N 121.354 -0.841 . . . . 2.3199999999999998 110.025 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -74.38 134.84 19.49 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.879 1.72 . . . . 0.85999999999999999 112.726 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -74.92 -14.41 60.64 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.394 -0.816 . . . . 3.7400000000000002 109.325 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.7 m -71.78 -11.65 60.92 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.885 -1.134 . . . . 0.87 110.889 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.475 HH11 ' HG2' ' A' ' 27' ' ' ARG . 1.1 mmt-85 -95.64 -13.57 24.2 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.808 -1.183 . . . . 1.0600000000000001 111.493 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 p -108.96 -43.46 4.2 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.034 -1.041 . . . . 0.66000000000000003 109.112 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -62.3 -36.56 82.51 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 121.21 0.529 . . . . 2.8199999999999998 110.904 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.449 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 52.4 m -52.58 -31.86 38.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.348 -0.845 . . . . 0.44 110.301 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -95.74 142.18 28.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.227 -0.921 . . . . 1.3 109.183 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.559 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 3.7 mp0 -115.2 152.82 47.16 Favored Pre-proline 0 N--CA 1.502 2.164 0 N-CA-C 108.627 -0.879 . . . . 2.0699999999999998 108.627 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -40.12 154.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.149 0 C-N-CA 121.737 1.624 . . . . 0.47999999999999998 112.135 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -148.18 140.18 24.01 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.152 -0.967 . . . . 0.27000000000000002 110.796 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 36' ' ' CYS . 88.2 m -116.24 164.72 14.08 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.317 -0.623 . . . . 0.39000000000000001 109.317 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.581 ' N ' HG22 ' A' ' 35' ' ' THR . 1.8 t -106.1 103.67 46.04 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.534 -0.729 . . . . 0.41999999999999998 109.238 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -54.1 -4.59 0.28 Allowed 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.959 1.773 . . . . 0.80000000000000004 113.258 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.1 mt -97.07 -55.27 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 120.794 -1.191 . . . . 0.53000000000000003 110.254 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.7 p -117.36 12.45 14.27 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.224 -0.922 . . . . 0.46999999999999997 108.74 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' CYS . 95.9 m-85 55.9 22.25 5.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.858 -0.526 . . . . 0.66000000000000003 111.265 178.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.58 141.6 54.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.459 -1.4 . . . . 0.38 107.397 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.59 109.52 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.038 -1.039 . . . . 0.41999999999999998 109.68 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' ALA . 28.2 mm -109.94 130.17 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 N-CA-C 108.095 -1.076 . . . . 0.26000000000000001 108.095 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 44' ' ' ARG . 20.3 mtt-85 -73.39 -63.51 1.18 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.875 -1.14 . . . . 2.0499999999999998 111.389 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -78.39 133.51 37.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.98 -1.075 . . . . 1.22 109.7 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.7 p -63.35 -31.12 72.19 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.357 -0.84 . . . . 0.34999999999999998 110.319 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.454 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.7 ptp180 -60.88 -41.61 96.34 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.92 -1.113 . . . . 0.85999999999999999 108.658 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.454 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 96.4 m-20 -65.45 -30.07 70.82 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.595 -0.691 . . . . 0.33000000000000002 109.564 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.0 tp -57.76 -47.18 83.24 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 119.06 -1.056 . . . . 0.37 108.792 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -56.34 -42.24 77.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.888 -1.132 . . . . 3.2400000000000002 108.091 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -62.96 -39.03 93.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.506 -0.746 . . . . 0.45000000000000001 109.078 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -61.81 -38.37 87.88 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.342 -0.849 . . . . 0.33000000000000002 109.71 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' PHE . 90.3 mt -59.64 -42.19 92.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.04 -1.038 . . . . 0.44 109.445 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.62 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 96.2 mt-10 -72.04 -29.37 64.1 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.32 -0.863 . . . . 2.0800000000000001 111.534 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.0 mt -87.63 -14.75 39.19 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.754 -1.216 . . . . 0.5 112.103 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.575 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 24.0 mmm180 -134.59 -1.59 2.79 Favored 'General case' 0 N--CA 1.507 2.424 0 O-C-N 120.591 -1.318 . . . . 2.21 112.373 -178.272 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 44.7 m-70 -148.18 -60.06 0.25 Allowed 'General case' 0 N--CA 1.507 2.387 0 O-C-N 120.326 -1.484 . . . . 0.67000000000000004 110.488 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 53' ' ' LEU . 30.4 m-85 -80.11 18.08 0.91 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.656 -1.277 . . . . 0.88 108.957 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.595 -0.691 . . . . 1.0700000000000001 110.35 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.709 0.766 . . . . 0.93000000000000005 110.485 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -95.51 3.96 53.67 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.516 -0.74 . . . . 2.1000000000000001 109.422 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.618 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 28.9 m170 -81.35 -30.58 0.55 Allowed Pre-proline 0 N--CA 1.496 1.845 0 O-C-N 121.087 -1.008 . . . . 3.25 112.811 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 71.8 Cg_exo -49.93 149.67 10.97 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 121.827 1.684 . . . . 1.0 112.308 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.22 166.84 28.88 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.105 1.87 . . . . 1.3700000000000001 112.566 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.22 23.61 68.06 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 110.274 -1.13 . . . . 1.3 110.274 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 21' ' ' THR . 12.2 t -89.36 94.12 9.78 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.786 -1.42 . . . . 1.05 108.71 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -78.42 142.35 37.63 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.03 -1.044 . . . . 2.5899999999999999 108.892 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -104.44 71.03 0.18 Allowed Pre-proline 0 N--CA 1.499 1.991 0 O-C-N 121.462 -0.774 . . . . 2.3199999999999998 109.66 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.05 136.36 56.06 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.46 1.44 . . . . 0.85999999999999999 111.038 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -69.26 -10.94 60.17 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.032 -0.729 . . . . 3.7400000000000002 109.032 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.2 m -69.0 -6.25 26.67 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.288 -0.882 . . . . 0.87 109.599 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.419 HH11 ' HG2' ' A' ' 27' ' ' ARG . 31.8 mmt-85 -98.98 -21.51 16.21 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.181 -0.949 . . . . 1.0600000000000001 110.508 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.2 p -108.62 -32.69 7.27 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.039 -1.038 . . . . 0.66000000000000003 109.537 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.27 -37.72 81.33 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.255 -0.903 . . . . 2.8199999999999998 109.506 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.5 m -54.08 -33.28 57.13 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.504 -0.878 . . . . 0.44 109.64 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HG3' HH21 ' A' ' 47' ' ' ARG . 74.9 mm-40 -96.53 137.57 35.41 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.775 -1.203 . . . . 1.3 110.059 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -115.6 152.54 47.32 Favored Pre-proline 0 N--CA 1.495 1.781 0 N-CA-C 108.987 -0.746 . . . . 2.0699999999999998 108.987 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -34.64 152.72 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.32 0 C-N-CA 122.552 2.168 . . . . 0.47999999999999998 112.66 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -145.98 132.39 19.66 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.125 -0.984 . . . . 0.27000000000000002 110.065 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.8 m -115.61 144.58 43.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.488 -0.758 . . . . 0.39000000000000001 109.828 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.1 t -85.14 126.36 67.76 Favored Pre-proline 0 C--N 1.299 -1.611 0 N-CA-C 108.159 -1.052 . . . . 0.41999999999999998 108.159 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.23 -1.34 11.52 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 120.814 1.009 . . . . 0.80000000000000004 112.59 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.3 mt -99.87 -40.42 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.187 -0.946 . . . . 0.53000000000000003 110.385 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.7 p -132.28 20.98 4.4 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.316 -0.865 . . . . 0.46999999999999997 109.796 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 48.43 20.97 0.34 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.601 -0.687 . . . . 0.66000000000000003 111.372 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.553 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -61.4 139.94 58.11 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.612 -1.625 . . . . 0.38 106.612 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.74 114.32 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.805 -1.184 . . . . 0.41999999999999998 110.143 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' ALA . 36.1 mm -109.63 127.46 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.594 -1.261 . . . . 0.26000000000000001 107.594 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -72.56 -59.66 2.61 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.179 -1.008 . . . . 2.0499999999999998 109.62 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -79.56 137.57 37.2 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.138 -1.025 . . . . 1.22 110.267 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 p -66.28 -39.24 89.27 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.458 0.647 . . . . 0.34999999999999998 109.683 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.451 HH21 ' HG3' ' A' ' 31' ' ' GLU . 10.1 ptp180 -54.94 -39.85 69.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.858 -1.151 . . . . 0.85999999999999999 109.678 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.5 m-20 -67.53 -29.7 69.17 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.225 -0.922 . . . . 0.33000000000000002 109.219 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.8 tp -57.4 -44.0 84.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.31 -0.869 . . . . 0.37 108.902 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -59.98 -39.43 85.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.101 -0.999 . . . . 3.2400000000000002 108.57 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -69.48 -36.54 76.62 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.485 -0.759 . . . . 0.45000000000000001 109.571 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -59.95 -39.66 86.34 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.932 . . . . 0.33000000000000002 109.16 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.98 -39.87 96.02 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.991 -1.068 . . . . 0.44 110.329 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.785 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 76.9 mm-40 -74.48 -26.95 60.34 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.548 -0.72 . . . . 2.0800000000000001 112.042 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.9 mt -95.51 -36.86 11.13 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.967 -1.083 . . . . 0.5 112.157 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.43 ' HG3' HH11 ' A' ' 56' ' ' ARG . 17.6 mmm-85 -105.47 8.29 33.42 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.78 -1.2 . . . . 2.21 113.02 -177.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -150.87 -69.26 0.18 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.116 -1.615 . . . . 0.67000000000000004 110.722 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -80.22 12.09 3.11 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.591 -0.693 . . . . 0.88 109.791 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.785 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.297 -1.707 0 C-N-CA 119.682 -0.807 . . . . 1.0700000000000001 109.563 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 121.19 0.519 . . . . 0.93000000000000005 110.386 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -89.66 8.93 29.01 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.409 -0.959 . . . . 2.1000000000000001 108.409 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 34.8 m80 -79.76 -47.99 1.43 Allowed Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.597 -0.69 . . . . 3.25 112.563 -178.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 17' ' ' HIS . 13.2 Cg_endo -55.79 151.69 39.0 Favored 'Trans proline' 0 N--CA 1.488 1.173 0 CA-C-N 120.441 1.193 . . . . 1.0 111.783 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.76 -178.53 0.74 Allowed 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.489 2.126 . . . . 1.3700000000000001 112.213 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.22 20.01 68.14 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 120.565 -0.826 . . . . 1.3 111.298 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.96 93.55 8.42 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.914 -1.345 . . . . 1.05 109.269 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -78.08 147.0 34.9 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.517 -0.74 . . . . 2.5899999999999999 109.359 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -106.9 74.04 0.36 Allowed Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.428 -0.795 . . . . 2.3199999999999998 109.942 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.03 135.82 30.76 Favored 'Trans proline' 0 N--CA 1.488 1.19 0 C-N-CA 121.083 1.189 . . . . 0.85999999999999999 109.785 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -69.49 -12.65 61.83 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.288 -0.882 . . . . 3.7400000000000002 109.903 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.5 m -68.41 -4.9 16.33 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.386 -0.821 . . . . 0.87 109.839 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.459 HH11 ' HG2' ' A' ' 27' ' ' ARG . 5.4 mmt-85 -101.52 -25.71 13.81 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.162 -0.961 . . . . 1.0600000000000001 110.327 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 p -108.17 -41.54 4.88 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.415 -0.803 . . . . 0.66000000000000003 109.587 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.98 -30.31 69.03 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.58 -0.7 . . . . 2.8199999999999998 109.676 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.6 m -61.22 -28.57 69.25 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.265 -0.897 . . . . 0.44 109.5 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' CD ' HH21 ' A' ' 47' ' ' ARG . 69.4 mm-40 -93.38 138.79 31.37 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.174 -0.954 . . . . 1.3 109.658 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -113.81 150.31 43.2 Favored Pre-proline 0 N--CA 1.5 2.047 0 N-CA-C 108.131 -1.063 . . . . 2.0699999999999998 108.131 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -38.3 156.31 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.351 2.034 . . . . 0.47999999999999998 113.153 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -147.58 131.08 16.72 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.284 -0.885 . . . . 0.27000000000000002 110.257 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 36' ' ' CYS . 49.4 m -110.81 164.53 12.68 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.319 -0.863 . . . . 0.39000000000000001 109.75 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.522 ' N ' HG22 ' A' ' 35' ' ' THR . 4.1 t -106.02 101.58 34.65 Favored Pre-proline 0 N--CA 1.499 1.994 0 N-CA-C 109.178 -0.675 . . . . 0.41999999999999998 109.178 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -56.3 0.46 0.17 Allowed 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.599 1.533 . . . . 0.80000000000000004 112.471 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.425 ' H ' ' C ' ' A' ' 36' ' ' CYS . 5.9 mt -97.72 -61.63 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 120.87 -1.143 . . . . 0.53000000000000003 109.926 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.9 p -113.11 13.59 19.36 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.461 -0.774 . . . . 0.46999999999999997 109.116 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 56.86 21.09 5.74 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.881 -0.512 . . . . 0.66000000000000003 110.885 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.536 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.06 137.06 58.18 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.07 -1.455 . . . . 0.38 107.07 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -95.54 114.89 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.17 -0.956 . . . . 0.41999999999999998 110.193 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' ALA . 38.3 mm -113.88 128.49 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 N-CA-C 108.287 -1.005 . . . . 0.26000000000000001 108.287 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' A' ' 44' ' ' ARG . 18.7 mtt-85 -70.67 -56.91 5.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.853 -1.155 . . . . 2.0499999999999998 110.883 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -82.49 133.89 35.2 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.052 -1.03 . . . . 1.22 111.074 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.3 p -63.35 -37.33 86.85 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.364 -0.835 . . . . 0.34999999999999998 110.016 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.449 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.0 ptp180 -59.74 -41.94 92.08 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.971 -1.081 . . . . 0.85999999999999999 108.296 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.449 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 9.4 m120 -63.0 -32.09 73.37 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.576 -0.703 . . . . 0.33000000000000002 109.577 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.6 tp -56.58 -45.46 81.33 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.545 -1.347 . . . . 0.37 109.149 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -58.21 -40.88 82.77 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 118.924 -1.11 . . . . 3.2400000000000002 108.103 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -60.98 -39.59 90.2 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.744 -0.836 . . . . 0.45000000000000001 108.744 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -62.61 -36.28 82.26 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.271 -0.893 . . . . 0.33000000000000002 110.13 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.89 -43.47 98.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.8 -1.188 . . . . 0.44 109.22 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.708 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 76.3 mt-10 -75.84 -19.01 59.24 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.05 -1.031 . . . . 2.0800000000000001 111.824 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.0 mt -91.31 -47.25 7.59 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.375 -1.453 . . . . 0.5 112.11 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.442 ' HG3' HH11 ' A' ' 56' ' ' ARG . 21.4 mmm-85 -107.03 15.81 24.89 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.935 -1.103 . . . . 2.21 112.514 -176.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.41 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 97.7 m-70 -150.76 -71.84 0.17 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.257 -1.527 . . . . 0.67000000000000004 110.867 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -81.84 12.62 3.85 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.097 -1.002 . . . . 0.88 109.278 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.496 1.84 0 O-C-N 121.498 -0.751 . . . . 1.0700000000000001 110.158 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 121.052 0.454 . . . . 0.93000000000000005 109.92 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -96.61 4.38 51.98 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.355 -0.84 . . . . 2.1000000000000001 109.776 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.619 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 19.2 t-80 -78.7 -33.2 0.88 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.26 -0.9 . . . . 3.25 111.888 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.6 Cg_exo -51.69 155.45 7.81 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.705 1.603 . . . . 1.0 111.924 -178.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.21 178.55 3.53 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.579 2.186 . . . . 1.3700000000000001 112.123 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.2 19.64 78.22 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 110.773 -0.931 . . . . 1.3 110.773 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 21' ' ' THR . 3.3 t -91.22 95.73 10.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.935 -1.333 . . . . 1.05 108.849 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -76.68 151.65 36.05 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 109.047 -0.723 . . . . 2.5899999999999999 109.047 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -107.24 71.05 0.29 Allowed Pre-proline 0 N--CA 1.5 2.063 0 O-C-N 121.3 -0.875 . . . . 2.3199999999999998 111.545 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HG2' ' HE ' ' A' ' 27' ' ' ARG . 14.7 Cg_endo -61.18 143.84 98.76 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.374 1.383 . . . . 0.85999999999999999 111.589 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -68.11 -25.09 65.14 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.609 -0.682 . . . . 3.7400000000000002 111.657 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 m -67.18 1.61 2.0 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.947 -1.095 . . . . 0.87 111.638 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.404 ' HE ' ' HG2' ' A' ' 24' ' ' PRO . 27.9 mmt180 -94.02 -65.15 1.01 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.591 -1.318 . . . . 1.0600000000000001 112.078 -178.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.7 p -86.75 -30.99 21.19 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.048 -1.033 . . . . 0.66000000000000003 111.223 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -59.95 -39.78 86.75 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.836 -1.165 . . . . 2.8199999999999998 110.076 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 49.7 m -60.65 -28.46 68.6 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.18 -0.95 . . . . 0.44 109.824 -179.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.557 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 80.1 mm-40 -84.58 139.11 32.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.412 -0.805 . . . . 1.3 110.741 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.532 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 25.7 mp0 -115.2 150.67 44.77 Favored Pre-proline 0 N--CA 1.501 2.097 0 N-CA-C 108.439 -0.948 . . . . 2.0699999999999998 108.439 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.41 153.33 7.51 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.496 1.464 . . . . 0.47999999999999998 111.373 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.97 137.27 26.01 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.024 -1.048 . . . . 0.27000000000000002 110.796 -178.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -115.85 152.12 33.96 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.526 -0.734 . . . . 0.39000000000000001 110.281 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -87.75 129.71 49.63 Favored Pre-proline 0 N--CA 1.495 1.807 0 O-C-N 121.523 -0.736 . . . . 0.41999999999999998 109.149 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.58 -7.39 18.6 Favored 'Trans proline' 0 N--CA 1.49 1.305 0 C-N-CA 121.558 1.505 . . . . 0.80000000000000004 111.985 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.1 mt -97.95 -59.8 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.269 -0.894 . . . . 0.53000000000000003 111.135 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.0 p -111.62 19.48 18.06 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 121.274 -0.891 . . . . 0.46999999999999997 110.424 -178.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 51.14 20.17 0.83 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.194 -0.941 . . . . 0.66000000000000003 111.286 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.81 141.17 49.83 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.389 -1.337 . . . . 0.38 107.389 177.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.4 t -95.27 115.17 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.985 -1.072 . . . . 0.41999999999999998 109.819 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' ALA . 45.9 mm -111.71 128.03 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 107.351 -1.352 . . . . 0.26000000000000001 107.351 178.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -73.64 -57.18 4.17 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.796 -1.19 . . . . 2.0499999999999998 110.659 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -79.43 136.55 36.97 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.975 -1.078 . . . . 1.22 110.374 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.3 p -66.58 -36.81 83.54 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.884 -1.135 . . . . 0.34999999999999998 109.642 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.557 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -57.57 -38.36 74.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.723 -1.236 . . . . 0.85999999999999999 108.984 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.37 -28.07 66.79 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.188 -0.945 . . . . 0.33000000000000002 109.255 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.2 tp -55.86 -48.09 76.15 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.078 -1.014 . . . . 0.37 108.973 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -59.7 -40.48 88.05 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.025 -1.07 . . . . 3.2400000000000002 108.451 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -62.15 -38.98 91.07 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.451 -0.781 . . . . 0.45000000000000001 109.562 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -60.77 -37.19 81.01 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.393 -0.817 . . . . 0.33000000000000002 109.655 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.05 -44.73 94.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.98 -1.075 . . . . 0.44 109.835 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.88 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 89.9 mt-10 -70.58 -27.7 64.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.237 -0.914 . . . . 2.0800000000000001 111.876 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.51 -44.41 11.31 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.525 -1.359 . . . . 0.5 112.258 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 3.3 mmp_? -107.93 19.36 20.14 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.908 -1.12 . . . . 2.21 113.161 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 97.7 m-70 -152.11 -70.3 0.16 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.03 -1.669 . . . . 0.67000000000000004 111.165 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -79.16 3.41 17.79 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.62 -1.3 . . . . 0.88 110.046 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.88 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.724 0 O-C-N 121.439 -0.788 . . . . 1.0700000000000001 109.211 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.166 0.508 . . . . 0.93000000000000005 110.209 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -89.35 16.01 8.18 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.429 -0.794 . . . . 2.1000000000000001 109.012 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.596 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.8 t60 -79.53 -31.34 0.68 Allowed Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 113.048 0.759 . . . . 3.25 113.048 -177.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 69.4 Cg_exo -49.69 138.51 32.75 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 120.993 1.129 . . . . 1.0 111.996 -177.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.98 176.79 9.57 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.272 1.981 . . . . 1.3700000000000001 112.373 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.68 26.99 68.11 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.819 -1.312 . . . . 1.3 109.819 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 21' ' ' THR . 0.7 OUTLIER -97.87 84.78 3.39 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.298 -1.119 . . . . 1.05 110.206 -179.337 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -78.15 147.71 34.43 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.934 -1.104 . . . . 2.5899999999999999 109.21 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -95.11 109.21 43.33 Favored Pre-proline 0 N--CA 1.501 2.088 0 O-C-N 121.208 -0.933 . . . . 2.3199999999999998 110.772 -179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -84.17 149.34 11.99 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.19 1.926 . . . . 0.85999999999999999 110.622 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HG2' HH11 ' A' ' 25' ' ' ARG . 12.4 mtt-85 -69.67 -26.45 64.38 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.921 -1.112 . . . . 3.7400000000000002 110.563 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.8 m -68.99 -6.91 30.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.963 -1.085 . . . . 0.87 111.887 -177.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.515 HH11 ' HG2' ' A' ' 27' ' ' ARG . 1.8 mmt-85 -99.3 -31.16 11.84 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.735 -1.228 . . . . 1.0600000000000001 110.45 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 p -110.12 -38.91 5.17 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.166 -0.958 . . . . 0.66000000000000003 109.817 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -60.65 -37.28 81.0 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.001 -1.062 . . . . 2.8199999999999998 110.27 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.3 m -56.7 -35.68 68.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.169 -0.957 . . . . 0.44 110.937 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.555 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 46.6 mm-40 -69.15 147.8 50.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.709 -1.244 . . . . 1.3 109.797 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -126.99 152.68 75.95 Favored Pre-proline 0 N--CA 1.496 1.866 0 N-CA-C 108.044 -1.095 . . . . 2.0699999999999998 108.044 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -44.52 153.56 0.36 Allowed 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 121.692 1.595 . . . . 0.47999999999999998 112.861 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -145.91 133.97 21.5 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.477 -0.764 . . . . 0.27000000000000002 109.566 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 36' ' ' CYS . 95.2 m -113.91 156.45 23.95 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 109.238 -0.653 . . . . 0.39000000000000001 109.238 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.427 ' N ' HG22 ' A' ' 35' ' ' THR . 3.8 t -95.06 125.39 50.79 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.35 -0.844 . . . . 0.41999999999999998 109.084 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -76.27 -1.04 11.01 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 121.556 1.504 . . . . 0.80000000000000004 112.436 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.2 mt -101.92 -49.75 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.238 -0.914 . . . . 0.53000000000000003 110.332 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.6 p -124.52 25.45 7.59 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.366 -0.834 . . . . 0.46999999999999997 109.841 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 46.5 20.14 0.09 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.345 -0.847 . . . . 0.66000000000000003 112.004 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.547 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.79 140.22 56.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.617 -1.302 . . . . 0.38 107.98 178.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.9 t -96.22 113.38 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.977 -1.077 . . . . 0.41999999999999998 109.976 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' ALA . 25.5 mm -110.92 132.14 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 107.412 -1.329 . . . . 0.26000000000000001 107.412 178.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.476 ' HG2' HH11 ' A' ' 44' ' ' ARG . 28.0 mtt-85 -75.49 -62.64 1.5 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.494 -1.379 . . . . 2.0499999999999998 110.509 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.563 ' OE1' ' NE ' ' A' ' 47' ' ' ARG . 83.6 mt-30 -78.89 140.7 38.06 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.092 -1.005 . . . . 1.22 110.994 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.9 p -66.37 -36.34 82.61 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.396 -0.815 . . . . 0.34999999999999998 109.966 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.563 ' NE ' ' OE1' ' A' ' 45' ' ' GLN . 2.3 ptt-85 -59.65 -41.07 89.7 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.952 -1.092 . . . . 0.85999999999999999 109.24 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.408 ' HA ' HH12 ' A' ' 51' ' ' ARG . 93.7 m-20 -62.67 -32.05 73.05 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.16 -0.962 . . . . 0.33000000000000002 110.019 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.2 tp -57.25 -42.34 81.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.031 -1.043 . . . . 0.37 108.43 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HG2' HH11 ' A' ' 50' ' ' ARG . 17.1 ttt-85 -58.04 -40.05 79.93 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.509 -0.923 . . . . 3.2400000000000002 108.509 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' NH1' ' CB ' ' A' ' 51' ' ' ARG . 12.4 ttp-105 -69.26 -36.02 76.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.221 -0.924 . . . . 0.45000000000000001 108.733 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -62.77 -41.38 99.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.421 -0.799 . . . . 0.33000000000000002 109.721 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.6 mt -60.07 -43.97 95.09 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.202 -0.936 . . . . 0.44 110.332 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.777 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 88.5 mt-10 -73.52 -21.65 60.33 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.333 -0.855 . . . . 2.0800000000000001 113.002 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.7 mt -99.03 -37.84 9.2 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.958 -1.089 . . . . 0.5 111.678 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.489 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.8 mmm180 -103.95 14.03 31.53 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.861 -1.15 . . . . 2.21 112.292 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.5 m-70 -153.5 -76.68 0.12 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.085 -1.635 . . . . 0.67000000000000004 111.12 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -76.39 8.57 3.31 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.32 -0.862 . . . . 0.88 109.348 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.298 -1.651 0 N-CA-C 108.316 -0.994 . . . . 1.0700000000000001 108.316 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 120.721 0.296 . . . . 0.93000000000000005 111.356 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -93.44 4.23 54.29 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.088 -1.007 . . . . 2.1000000000000001 109.577 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.613 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.4 m-70 -81.12 -29.18 0.51 Allowed Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 121.409 -0.807 . . . . 3.25 113.108 -178.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 74.5 Cg_exo -50.14 152.51 7.81 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 121.781 1.654 . . . . 1.0 112.878 -178.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -73.11 164.77 34.52 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.79 2.327 . . . . 1.3700000000000001 112.312 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.84 18.78 78.51 Favored Glycine 0 N--CA 1.484 1.866 0 N-CA-C 110.415 -1.074 . . . . 1.3 110.415 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 21' ' ' THR . 8.7 t -95.52 83.84 3.87 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.854 -1.38 . . . . 1.05 108.517 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -76.09 157.7 32.6 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.437 -0.789 . . . . 2.5899999999999999 109.413 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -105.15 70.77 0.21 Allowed Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 121.372 -0.83 . . . . 2.3199999999999998 110.19 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.4 140.97 79.3 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.402 1.402 . . . . 0.85999999999999999 110.721 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -77.75 -1.04 29.33 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.485 -0.759 . . . . 3.7400000000000002 109.412 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -73.16 -5.66 40.65 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.019 -1.051 . . . . 0.87 109.511 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -99.06 -22.98 15.44 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.246 -1.02 . . . . 1.0600000000000001 108.246 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.3 p -105.95 -37.62 6.6 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.633 0.73 . . . . 0.66000000000000003 109.213 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -63.59 -36.25 83.19 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.158 -0.963 . . . . 2.8199999999999998 108.855 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.9 m -60.28 -29.01 68.54 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.135 -1.061 . . . . 0.44 108.135 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.592 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 56.1 mm-40 -89.29 138.07 31.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.919 -0.488 . . . . 1.3 110.004 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -117.44 149.9 45.6 Favored Pre-proline 0 N--CA 1.502 2.167 0 N-CA-C 107.778 -1.193 . . . . 2.0699999999999998 107.778 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -40.28 156.5 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.295 1.997 . . . . 0.47999999999999998 112.183 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.92 135.86 21.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.338 -0.851 . . . . 0.27000000000000002 110.244 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.2 m -116.87 146.1 43.14 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.606 -0.684 . . . . 0.39000000000000001 110.373 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.8 t -85.42 132.79 43.83 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.831 -0.543 . . . . 0.41999999999999998 109.615 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -79.89 -8.46 14.43 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 121.971 1.78 . . . . 0.80000000000000004 113.352 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.9 mt -96.33 -42.6 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.949 -1.094 . . . . 0.53000000000000003 110.496 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.6 p -127.84 19.26 6.64 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.181 -0.95 . . . . 0.46999999999999997 110.771 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 49.89 17.92 0.32 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.408 -0.807 . . . . 0.66000000000000003 111.328 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.575 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.55 139.98 56.69 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.553 -1.342 . . . . 0.38 107.798 178.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.58 113.85 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.926 -1.109 . . . . 0.41999999999999998 110.53 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.0 mm -109.24 127.01 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 N-CA-C 107.329 -1.36 . . . . 0.26000000000000001 107.329 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.452 HH11 ' HG2' ' A' ' 44' ' ' ARG . 17.6 mtt-85 -68.74 -57.73 5.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.545 -1.347 . . . . 2.0499999999999998 110.833 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.403 ' NE2' ' OD1' ' A' ' 48' ' ' ASN . 25.7 mt-30 -80.26 135.34 36.22 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.279 -0.888 . . . . 1.22 110.935 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.4 p -66.19 -36.53 83.32 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.276 -0.89 . . . . 0.34999999999999998 109.532 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.592 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -57.73 -35.65 70.97 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.455 -1.403 . . . . 0.85999999999999999 109.625 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.403 ' OD1' ' NE2' ' A' ' 45' ' ' GLN . 13.7 m120 -73.95 -25.52 60.0 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.066 -1.022 . . . . 0.33000000000000002 108.785 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.92 -46.19 88.53 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.226 -0.99 . . . . 0.37 108.513 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -60.25 -41.68 93.71 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.181 -1.044 . . . . 3.2400000000000002 108.181 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -63.95 -33.99 76.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.45000000000000001 110.021 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -64.49 -36.23 83.52 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.302 -0.874 . . . . 0.33000000000000002 109.59 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.01 -41.38 96.42 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.064 -1.023 . . . . 0.44 109.572 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 75.9 mt-10 -75.13 -15.03 60.62 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.681 -0.637 . . . . 2.0800000000000001 111.276 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.2 mt -102.1 -42.29 6.13 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.508 -1.37 . . . . 0.5 111.084 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.509 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.0 mmm180 -105.56 11.29 32.57 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.896 -1.127 . . . . 2.21 112.61 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.509 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 90.2 m-70 -152.49 -71.05 0.15 Allowed 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.107 -1.62 . . . . 0.67000000000000004 110.583 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -80.19 13.63 2.25 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.0 -1.062 . . . . 0.88 109.414 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.36 -0.838 . . . . 1.0700000000000001 109.992 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.636 -0.505 . . . . 0.93000000000000005 109.636 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.91 3.64 54.03 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.245 -0.91 . . . . 2.1000000000000001 109.061 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.51 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -82.71 -44.05 0.92 Allowed Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.253 -0.904 . . . . 3.25 112.357 -177.632 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 86.5 Cg_exo -48.06 150.95 4.43 Favored 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.564 2.176 . . . . 1.0 112.528 -177.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -57.3 175.41 0.36 Allowed 'Trans proline' 0 N--CA 1.504 2.103 0 C-N-CA 122.356 2.037 . . . . 1.3700000000000001 112.392 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.92 16.36 80.72 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.843 -1.303 . . . . 1.3 109.843 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.88 91.34 7.86 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.093 -1.24 . . . . 1.05 109.341 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -78.2 143.5 37.12 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.542 -0.724 . . . . 2.5899999999999999 109.329 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -106.66 68.99 0.23 Allowed Pre-proline 0 N--CA 1.5 2.038 0 O-C-N 121.597 -0.689 . . . . 2.3199999999999998 110.727 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.22 135.33 53.77 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.88 1.72 . . . . 0.85999999999999999 111.942 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -70.14 -11.06 60.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.491 -0.756 . . . . 3.7400000000000002 109.52 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.8 m -70.18 -9.36 55.49 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.449 -0.782 . . . . 0.87 110.627 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -105.12 -17.87 14.34 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.076 -1.015 . . . . 1.0600000000000001 109.335 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.7 p -107.68 -41.24 5.07 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.544 -0.723 . . . . 0.66000000000000003 109.812 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -26.92 66.38 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.268 -0.895 . . . . 2.8199999999999998 109.224 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.7 m -60.55 -28.57 68.54 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.244 -0.91 . . . . 0.44 109.093 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -94.31 145.09 24.99 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.278 -0.888 . . . . 1.3 110.124 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -114.76 152.63 46.54 Favored Pre-proline 0 N--CA 1.499 2.008 0 N-CA-C 107.887 -1.153 . . . . 2.0699999999999998 107.887 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -48.45 153.09 3.44 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.39 1.393 . . . . 0.47999999999999998 110.871 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -141.48 129.97 22.59 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.22 -0.925 . . . . 0.27000000000000002 110.248 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.0 m -111.61 148.03 34.2 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.564 0.697 . . . . 0.39000000000000001 109.998 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.1 t -85.9 130.09 51.83 Favored Pre-proline 0 N--CA 1.492 1.627 0 N-CA-C 109.091 -0.707 . . . . 0.41999999999999998 109.091 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.06 -6.28 17.17 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 121.772 1.648 . . . . 0.80000000000000004 113.77 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.1 mt -99.88 -52.71 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 120.905 -1.122 . . . . 0.53000000000000003 110.313 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.6 p -115.81 19.63 15.06 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.261 -0.9 . . . . 0.46999999999999997 110.288 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 49.14 17.4 0.18 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.38 -0.825 . . . . 0.66000000000000003 110.888 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.615 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.3 139.49 48.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.516 -1.365 . . . . 0.38 107.665 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.0 t -94.8 112.92 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.194 -0.941 . . . . 0.41999999999999998 110.733 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' ALA . 31.7 mm -110.2 131.37 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 107.818 -1.178 . . . . 0.26000000000000001 107.818 178.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' A' ' 44' ' ' ARG . 10.5 mtt-85 -75.39 -62.91 1.41 Allowed 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.933 -1.104 . . . . 2.0499999999999998 110.814 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -79.04 136.99 37.35 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.111 -0.993 . . . . 1.22 110.584 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -63.54 -33.93 76.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.274 -0.891 . . . . 0.34999999999999998 109.883 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.4 ptp180 -58.74 -40.01 82.55 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.208 -0.933 . . . . 0.85999999999999999 109.212 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.442 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.2 m-20 -69.7 -27.36 64.93 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.326 -0.859 . . . . 0.33000000000000002 109.868 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.37 -47.63 83.22 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.903 -1.123 . . . . 0.37 109.327 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.497 ' CG ' HH11 ' A' ' 50' ' ' ARG . 8.3 mtt-85 -58.83 -40.02 82.95 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.276 -1.379 . . . . 3.2400000000000002 107.276 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -62.89 -39.8 95.59 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 109.366 -0.605 . . . . 0.45000000000000001 109.366 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -61.41 -38.89 88.76 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.557 -0.714 . . . . 0.33000000000000002 110.111 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.19 -42.32 94.79 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.15 -0.969 . . . . 0.44 109.719 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.824 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 63.4 mm-40 -72.16 -24.14 61.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.445 -0.784 . . . . 2.0800000000000001 111.803 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.5 mt -93.95 -41.31 9.66 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.832 -1.168 . . . . 0.5 112.054 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.514 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 3.4 mmp_? -106.25 11.57 30.99 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.078 -1.014 . . . . 2.21 113.331 -176.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.0 m-70 -153.11 -65.94 0.15 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 119.916 -1.74 . . . . 0.67000000000000004 110.52 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -81.2 6.86 12.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.055 -1.028 . . . . 0.88 110.186 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.824 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.713 0 N-CA-C 108.778 -0.823 . . . . 1.0700000000000001 108.778 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.369 0.604 . . . . 0.93000000000000005 110.48 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -89.08 17.2 6.07 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.327 -0.99 . . . . 2.1000000000000001 108.327 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.594 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -77.53 -30.0 0.73 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.281 -0.887 . . . . 3.25 112.847 -178.548 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 57.6 Cg_exo -49.98 141.61 29.04 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 121.531 1.487 . . . . 1.0 112.887 -178.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -74.02 172.26 16.29 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.333 2.022 . . . . 1.3700000000000001 111.466 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.69 17.05 79.05 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.92 -1.272 . . . . 1.3 109.92 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 21' ' ' THR . 5.2 t -90.54 86.84 6.53 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.043 -1.269 . . . . 1.05 110.217 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 1.1 mp0 -79.83 158.76 26.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.238 -0.914 . . . . 2.5899999999999999 109.037 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -105.84 73.97 0.29 Allowed Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.256 -0.902 . . . . 2.3199999999999998 110.236 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.86 143.38 91.49 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.035 1.157 . . . . 0.85999999999999999 111.757 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 25' ' ' ARG . 45.9 mtt-85 -68.96 -14.31 62.96 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.275 -0.891 . . . . 3.7400000000000002 109.942 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -68.1 -6.28 22.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.083 -1.011 . . . . 0.87 109.824 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -100.58 -21.53 15.26 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.319 -0.863 . . . . 1.0600000000000001 110.645 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 p -107.35 -41.41 5.1 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.119 -0.988 . . . . 0.66000000000000003 110.476 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -61.39 -28.46 69.26 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.039 -1.038 . . . . 2.8199999999999998 110.192 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -53.54 -38.29 63.66 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.711 0.767 . . . . 0.44 109.267 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.545 ' CG ' HH21 ' A' ' 47' ' ' ARG . 74.0 mm-40 -91.55 148.88 21.97 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.409 -0.807 . . . . 1.3 109.084 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -114.82 149.92 43.21 Favored Pre-proline 0 N--CA 1.494 1.758 0 N-CA-C 108.921 -0.77 . . . . 2.0699999999999998 108.921 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -38.05 154.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.365 2.043 . . . . 0.47999999999999998 111.578 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.83 136.18 22.75 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.835 -1.166 . . . . 0.27000000000000002 110.476 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 36' ' ' CYS . 51.0 m -117.1 158.96 23.32 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.671 -0.862 . . . . 0.39000000000000001 108.671 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.421 ' N ' HG22 ' A' ' 35' ' ' THR . 1.8 t -105.07 103.66 42.91 Favored Pre-proline 0 N--CA 1.504 2.248 0 O-C-N 121.306 -0.871 . . . . 0.41999999999999998 108.925 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -53.69 -4.55 0.23 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.067 1.845 . . . . 0.80000000000000004 113.851 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.9 mt -96.29 -64.21 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 120.778 -1.201 . . . . 0.53000000000000003 109.863 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.4 p -106.93 11.32 30.02 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.978 -0.749 . . . . 0.46999999999999997 108.978 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' CYS . 90.9 m-85 55.46 25.45 7.78 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.842 -0.536 . . . . 0.66000000000000003 110.529 178.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.502 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.91 135.07 57.68 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.208 -1.404 . . . . 0.38 107.208 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.6 t -92.04 109.12 20.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 O-C-N 120.993 -1.067 . . . . 0.41999999999999998 109.806 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' ALA . 42.2 mm -109.12 129.54 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 N-CA-C 107.627 -1.249 . . . . 0.26000000000000001 107.627 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -71.94 -64.74 0.88 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.753 -1.217 . . . . 2.0499999999999998 110.437 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -78.96 140.54 38.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.36 -0.837 . . . . 1.22 110.664 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.9 p -67.69 -32.4 73.03 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.694 -0.629 . . . . 0.34999999999999998 110.917 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.545 HH21 ' CG ' ' A' ' 31' ' ' GLU . 13.9 ptp180 -59.41 -40.63 87.28 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.908 -1.12 . . . . 0.85999999999999999 109.442 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.408 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 97.6 m-20 -69.45 -29.4 67.08 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.536 -0.727 . . . . 0.33000000000000002 109.698 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.2 tp -60.0 -46.43 89.51 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.408 -0.807 . . . . 0.37 109.151 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -59.89 -40.22 87.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.842 -1.161 . . . . 3.2400000000000002 108.178 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -63.82 -36.77 84.99 Favored 'General case' 0 C--N 1.296 -1.733 0 C-N-CA 119.747 -0.781 . . . . 0.45000000000000001 109.353 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -63.22 -33.46 75.54 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.292 -0.88 . . . . 0.33000000000000002 110.011 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.78 -47.63 82.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.923 -1.111 . . . . 0.44 110.04 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.818 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 93.5 mt-10 -72.49 -21.5 61.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.272 -0.892 . . . . 2.0800000000000001 111.808 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.16 -35.97 12.27 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.556 -1.34 . . . . 0.5 112.075 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.518 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.1 mmm180 -110.48 13.75 22.67 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.909 -1.119 . . . . 2.21 112.025 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.518 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.8 m-70 -152.56 -72.1 0.15 Allowed 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.389 -1.444 . . . . 0.67000000000000004 111.444 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -80.47 9.82 5.46 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.753 -1.217 . . . . 0.88 110.672 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.818 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.301 -1.541 0 O-C-N 120.958 -1.089 . . . . 1.0700000000000001 109.489 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 120.949 0.404 . . . . 0.93000000000000005 109.96 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -93.78 9.2 38.15 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.782 -0.821 . . . . 2.1000000000000001 108.782 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.629 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.0 m80 -78.91 -30.68 0.68 Allowed Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.337 -0.852 . . . . 3.25 112.403 -178.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.0 Cg_exo -54.21 143.75 62.51 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.963 1.775 . . . . 1.0 111.518 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -77.87 173.59 13.83 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.645 2.23 . . . . 1.3700000000000001 111.886 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.24 31.96 49.98 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.389 -1.484 . . . . 1.3 109.389 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 21' ' ' THR . 13.5 t -90.52 88.73 7.26 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.123 -1.222 . . . . 1.05 109.715 -179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -81.08 141.95 33.81 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.981 -1.074 . . . . 2.5899999999999999 108.667 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -106.54 72.94 0.3 Allowed Pre-proline 0 N--CA 1.504 2.235 0 O-C-N 121.115 -0.99 . . . . 2.3199999999999998 110.476 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -64.95 142.32 74.7 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.27 1.313 . . . . 0.85999999999999999 111.263 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' H ' ' CD ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -70.52 -6.72 38.34 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.27 -0.894 . . . . 3.7400000000000002 109.449 -179.19 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.3 m -70.29 -7.76 45.02 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.258 -0.901 . . . . 0.87 109.931 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -102.13 -23.3 14.07 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.005 -1.059 . . . . 1.0600000000000001 110.614 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 p -103.12 -36.31 8.18 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.969 -1.082 . . . . 0.66000000000000003 110.336 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.2 -30.07 69.13 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.009 -1.057 . . . . 2.8199999999999998 110.164 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.4 m -59.64 -30.57 68.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.263 -0.898 . . . . 0.44 109.476 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -84.35 143.37 29.53 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.153 -0.967 . . . . 1.3 110.412 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 44' ' ' ARG . 92.9 mt-30 -115.75 153.52 48.01 Favored Pre-proline 0 N--CA 1.501 2.117 0 N-CA-C 108.889 -0.782 . . . . 2.0699999999999998 108.889 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.09 154.55 17.62 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 122.291 1.994 . . . . 0.47999999999999998 111.726 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 43' ' ' ILE . . . -149.99 136.65 19.2 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.856 -1.153 . . . . 0.27000000000000002 111.104 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.508 HG22 ' N ' ' A' ' 36' ' ' CYS . 87.8 m -114.48 161.46 17.96 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.526 -0.734 . . . . 0.39000000000000001 109.371 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.508 ' N ' HG22 ' A' ' 35' ' ' THR . 6.3 t -106.36 100.45 29.72 Favored Pre-proline 0 N--CA 1.504 2.227 0 O-C-N 121.459 -0.776 . . . . 0.41999999999999998 109.664 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.74 -0.59 0.09 OUTLIER 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.246 1.964 . . . . 0.80000000000000004 113.35 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.424 ' H ' ' C ' ' A' ' 36' ' ' CYS . 17.3 mt -98.33 -63.95 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.896 -1.128 . . . . 0.53000000000000003 109.71 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.9 p -109.21 13.15 24.55 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.585 -0.895 . . . . 0.46999999999999997 108.585 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 55.44 19.04 2.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.835 -0.54 . . . . 0.66000000000000003 110.947 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.588 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.23 136.37 57.94 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.603 -1.258 . . . . 0.38 107.603 178.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -95.84 112.23 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 120.7 -1.25 . . . . 0.41999999999999998 110.449 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 34' ' ' ALA . 26.8 mm -109.29 129.91 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 107.026 -1.472 . . . . 0.26000000000000001 107.026 177.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.455 HH11 ' HG2' ' A' ' 44' ' ' ARG . 17.9 mtt-85 -71.73 -61.76 1.66 Allowed 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.864 -1.148 . . . . 2.0499999999999998 110.329 -178.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.57 HE22 ' NH2' ' A' ' 47' ' ' ARG . 76.4 mt-30 -78.26 136.59 37.79 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.9 -1.125 . . . . 1.22 110.76 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.7 p -66.49 -38.96 88.4 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.317 -0.865 . . . . 0.34999999999999998 110.252 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.57 ' NH2' HE22 ' A' ' 45' ' ' GLN . 26.6 ptt180 -55.66 -38.78 70.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.963 -1.086 . . . . 0.85999999999999999 108.639 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.82 -27.56 64.98 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.231 -0.918 . . . . 0.33000000000000002 109.576 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.76 -46.67 88.44 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.701 -1.249 . . . . 0.37 108.991 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -55.64 -41.2 73.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.787 -1.196 . . . . 3.2400000000000002 107.964 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -60.6 -42.08 96.05 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.464 -0.894 . . . . 0.45000000000000001 108.768 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.52 -39.16 86.78 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.485 -0.759 . . . . 0.33000000000000002 110.861 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.05 -41.77 83.99 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.955 -1.091 . . . . 0.44 109.588 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.821 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 94.0 mt-10 -73.44 -17.77 61.21 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.458 -0.776 . . . . 2.0800000000000001 111.767 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -93.89 -50.18 5.47 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 120.687 -1.258 . . . . 0.5 113.462 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 3.4 mmp_? -106.15 26.26 9.98 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.613 -1.304 . . . . 2.21 111.775 -177.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 97.8 m-70 -155.35 -76.9 0.1 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.474 -1.392 . . . . 0.67000000000000004 110.519 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -78.58 6.25 9.14 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.457 -0.777 . . . . 0.88 109.651 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.821 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.553 -0.717 . . . . 1.0700000000000001 109.293 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 121.041 0.448 . . . . 0.93000000000000005 110.746 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -94.11 8.59 41.02 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.418 -0.801 . . . . 2.1000000000000001 109.923 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.62 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 12.3 t-80 -82.37 -34.33 0.66 Allowed Pre-proline 0 N--CA 1.501 2.121 0 O-C-N 120.85 -1.156 . . . . 3.25 111.882 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 37.1 Cg_exo -58.8 139.29 90.15 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 122.079 1.853 . . . . 1.0 111.843 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 18' ' ' PRO . 84.7 Cg_exo -44.09 179.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.094 1.863 . . . . 1.3700000000000001 112.996 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.65 25.92 64.13 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 110.004 -1.238 . . . . 1.3 110.004 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 21' ' ' THR . 7.8 t -91.51 87.03 6.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.034 -1.274 . . . . 1.05 108.843 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -84.24 139.52 32.3 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.381 -0.825 . . . . 2.5899999999999999 109.255 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -108.04 80.46 1.06 Allowed Pre-proline 0 N--CA 1.499 2.023 0 O-C-N 121.518 -0.739 . . . . 2.3199999999999998 110.372 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.75 135.97 16.49 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 122.015 1.81 . . . . 0.85999999999999999 112.243 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.97 -4.78 30.45 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.276 -0.89 . . . . 3.7400000000000002 110.454 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -69.56 -14.45 62.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.043 -1.035 . . . . 0.87 110.009 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -105.86 -23.34 12.71 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.179 -0.951 . . . . 1.0600000000000001 109.875 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 p -97.16 -29.74 13.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.077 -1.015 . . . . 0.66000000000000003 108.446 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -72.3 -40.23 67.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.304 -0.872 . . . . 2.8199999999999998 108.879 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -58.78 -29.98 67.22 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.43 -0.952 . . . . 0.44 108.43 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -80.59 138.87 36.49 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.516 -0.74 . . . . 1.3 109.358 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -123.87 152.63 66.57 Favored Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 121.561 -0.712 . . . . 2.0699999999999998 109.103 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -41.88 152.68 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.281 0 C-N-CA 121.734 1.623 . . . . 0.47999999999999998 112.168 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 43' ' ' ILE . . . -149.08 131.19 15.39 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.285 -0.884 . . . . 0.27000000000000002 109.736 -179.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 36' ' ' CYS . 35.2 m -116.17 160.78 19.91 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.478 -0.764 . . . . 0.39000000000000001 110.763 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.499 ' N ' HG22 ' A' ' 35' ' ' THR . 8.1 t -106.58 100.63 31.6 Favored Pre-proline 0 N--CA 1.5 2.027 0 O-C-N 121.752 -0.592 . . . . 0.41999999999999998 109.896 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.73 -2.1 0.18 Allowed 'Trans proline' 0 N--CA 1.502 2.019 0 C-N-CA 122.357 2.038 . . . . 0.80000000000000004 113.552 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.9 mt -97.45 -55.0 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 120.994 -1.066 . . . . 0.53000000000000003 109.507 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.677 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.8 p -117.95 15.18 14.26 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 108.571 -0.9 . . . . 0.46999999999999997 108.571 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 36' ' ' CYS . 94.3 m-85 52.72 17.45 0.83 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.783 -0.573 . . . . 0.66000000000000003 110.404 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.677 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.36 134.05 53.33 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.439 -1.319 . . . . 0.38 107.439 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.1 t -94.64 112.94 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.951 -1.093 . . . . 0.41999999999999998 110.892 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.539 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 30.2 mm -111.03 121.39 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.278 -1.378 . . . . 0.26000000000000001 107.278 178.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' A' ' 44' ' ' ARG . 14.6 mtt-85 -65.74 -52.65 49.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.791 -1.193 . . . . 2.0499999999999998 110.582 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.56 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 47.5 mt-30 -83.69 137.65 33.68 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.287 -0.883 . . . . 1.22 111.307 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.2 p -66.93 -39.82 87.43 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.258 -0.901 . . . . 0.34999999999999998 110.187 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.56 ' NH2' ' OE1' ' A' ' 45' ' ' GLN . 25.3 ptt180 -59.5 -39.41 83.71 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.07 -1.019 . . . . 0.85999999999999999 109.082 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -67.17 -30.86 70.94 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.146 -0.971 . . . . 0.33000000000000002 108.976 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.51 -45.5 93.57 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.05 -1.031 . . . . 0.37 109.746 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -56.85 -40.16 75.59 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.867 -1.145 . . . . 3.2400000000000002 107.968 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -65.61 -37.35 86.37 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.69 -0.856 . . . . 0.45000000000000001 108.69 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -61.61 -39.39 91.09 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.216 -0.928 . . . . 0.33000000000000002 109.87 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.14 -44.19 95.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.085 -1.01 . . . . 0.44 110.607 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.604 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.3 mm-40 -74.31 -14.25 60.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.23 -0.919 . . . . 2.0800000000000001 111.244 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 55' ' ' LEU . 84.2 mt -92.37 -51.95 4.9 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.472 -1.392 . . . . 0.5 112.437 -178.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.537 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 23.2 mmm180 -104.65 11.39 34.16 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.827 -1.17 . . . . 2.21 112.585 -177.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 65.2 m-70 -146.89 -77.96 0.17 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.247 -1.533 . . . . 0.67000000000000004 110.714 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -77.49 21.91 0.26 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.044 -1.035 . . . . 0.88 110.233 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.472 -0.768 . . . . 1.0700000000000001 110.507 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.901 0 CA-C-O 120.881 0.372 . . . . 0.93000000000000005 110.836 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -95.65 7.59 45.85 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.146 -0.971 . . . . 2.1000000000000001 109.765 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.604 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 24.0 t-80 -80.02 -30.12 0.59 Allowed Pre-proline 0 N--CA 1.494 1.771 0 O-C-N 121.22 -0.925 . . . . 3.25 112.693 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 73.9 Cg_exo -51.52 156.05 6.6 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 121.791 1.661 . . . . 1.0 112.122 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.93 170.6 0.99 Allowed 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.444 2.096 . . . . 1.3700000000000001 111.829 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.98 24.27 72.29 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.996 -1.242 . . . . 1.3 109.996 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 21' ' ' THR . 7.8 t -93.67 88.54 5.87 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.103 -1.233 . . . . 1.05 109.565 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mp0 -79.71 150.48 30.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.181 -0.95 . . . . 2.5899999999999999 108.906 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -106.07 74.46 0.32 Allowed Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.268 -0.895 . . . . 2.3199999999999998 110.206 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.5 137.32 54.53 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 121.298 1.332 . . . . 0.85999999999999999 111.475 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.419 ' NH1' ' HG2' ' A' ' 25' ' ' ARG . 6.1 tpt180 -71.11 -18.72 62.51 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.35 -0.843 . . . . 3.7400000000000002 110.263 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -65.81 -4.29 6.42 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.02 -1.05 . . . . 0.87 112.218 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -104.74 -22.44 13.21 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.809 -1.182 . . . . 1.0600000000000001 109.237 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 p -100.93 -34.07 9.94 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.292 -0.88 . . . . 0.66000000000000003 109.461 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -60.03 -36.51 77.43 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.226 -0.921 . . . . 2.8199999999999998 109.611 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.9 m -56.24 -30.94 63.06 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.018 -1.051 . . . . 0.44 109.457 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.489 ' CG ' HH21 ' A' ' 47' ' ' ARG . 71.7 mm-40 -94.54 138.49 32.37 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.2 -0.937 . . . . 1.3 110.169 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -118.11 153.2 51.26 Favored Pre-proline 0 N--CA 1.494 1.772 0 N-CA-C 108.686 -0.857 . . . . 2.0699999999999998 108.686 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -42.1 154.14 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.851 1.7 . . . . 0.47999999999999998 111.378 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.95 141.83 25.81 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.999 -1.063 . . . . 0.27000000000000002 110.327 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.2 m -117.08 152.14 35.33 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.5 -0.75 . . . . 0.39000000000000001 109.921 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.7 t -88.77 131.08 42.67 Favored Pre-proline 0 N--CA 1.498 1.941 0 O-C-N 121.153 -0.967 . . . . 0.41999999999999998 108.999 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.53 -7.54 15.84 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 121.63 1.554 . . . . 0.80000000000000004 112.736 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 83.3 mt -98.81 -52.66 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.159 -0.963 . . . . 0.53000000000000003 110.052 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.694 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.1 p -118.32 27.0 9.22 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.286 -0.883 . . . . 0.46999999999999997 110.731 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 41.96 18.55 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.309 -0.869 . . . . 0.66000000000000003 111.252 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.694 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.52 136.91 57.66 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.281 -1.377 . . . . 0.38 107.281 178.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.24 114.27 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.009 -1.057 . . . . 0.41999999999999998 110.77 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.3 mm -110.03 129.69 64.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 N-CA-C 108.009 -1.108 . . . . 0.26000000000000001 108.009 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' A' ' 44' ' ' ARG . 36.4 mtt-85 -73.13 -65.14 0.84 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.889 -1.132 . . . . 2.0499999999999998 110.624 -178.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -77.62 137.71 38.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.085 -1.01 . . . . 1.22 110.517 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.8 p -65.15 -37.57 87.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.506 -0.747 . . . . 0.34999999999999998 109.642 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.489 HH21 ' CG ' ' A' ' 31' ' ' GLU . 12.7 ptp180 -54.6 -43.95 72.65 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.894 -1.129 . . . . 0.85999999999999999 109.088 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.42 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 83.8 m-20 -63.52 -32.41 73.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.136 -0.978 . . . . 0.33000000000000002 109.532 179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 tp -55.12 -44.05 74.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.893 -1.129 . . . . 0.37 108.992 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.549 ' CG ' HH11 ' A' ' 50' ' ' ARG . 0.0 OUTLIER -59.88 -40.67 89.47 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.089 -1.078 . . . . 3.2400000000000002 108.089 179.425 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -65.26 -35.06 79.87 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.607 0.717 . . . . 0.45000000000000001 109.58 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -63.62 -41.73 98.26 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.475 -0.766 . . . . 0.33000000000000002 109.518 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.01 -40.35 88.93 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.184 -0.947 . . . . 0.44 109.754 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.761 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 92.7 mt-10 -73.7 -27.74 61.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.382 -0.824 . . . . 2.0800000000000001 111.734 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -92.81 -42.05 9.76 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.761 -1.212 . . . . 0.5 112.081 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.53 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 24.4 mmm180 -106.36 17.79 22.9 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 120.729 -1.232 . . . . 2.21 112.761 -177.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.7 m-70 -155.83 -71.24 0.11 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.371 -1.455 . . . . 0.67000000000000004 110.424 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -81.91 14.73 2.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.635 -0.665 . . . . 0.88 110.603 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.761 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.225 -0.922 . . . . 1.0700000000000001 108.958 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 121.691 0.758 . . . . 0.93000000000000005 111.604 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' NZ ' ' CB ' ' A' ' 16' ' ' LYS . 7.8 mtpm? -92.81 12.25 24.21 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.756 -0.831 . . . . 2.1000000000000001 108.756 178.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 55.3 t-80 -82.31 -30.39 0.51 Allowed Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.164 -0.96 . . . . 3.25 112.589 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.2 Cg_exo -53.97 154.35 17.72 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 121.589 1.526 . . . . 1.0 111.964 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -76.78 -179.49 5.43 Favored 'Trans proline' 0 N--CA 1.502 1.992 0 C-N-CA 123.222 2.615 . . . . 1.3700000000000001 112.889 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.33 24.54 68.08 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.331 -1.108 . . . . 1.3 110.331 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 21' ' ' THR . 3.3 t -94.1 89.3 5.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.164 -1.198 . . . . 1.05 108.927 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -79.08 154.97 28.99 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.276 -0.89 . . . . 2.5899999999999999 108.864 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -108.05 75.97 0.57 Allowed Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.462 -0.774 . . . . 2.3199999999999998 110.242 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.78 142.85 32.62 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.357 1.372 . . . . 0.85999999999999999 111.031 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -70.95 -8.26 51.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.955 -1.091 . . . . 3.7400000000000002 110.862 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.8 m -70.3 -6.84 37.97 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.056 -1.027 . . . . 0.87 110.231 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -100.66 -24.85 14.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.327 -0.858 . . . . 1.0600000000000001 110.086 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.4 p -108.84 -30.98 7.87 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.271 -0.893 . . . . 0.66000000000000003 109.465 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -62.28 -38.48 89.51 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.05 -1.031 . . . . 2.8199999999999998 108.727 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.1 m -56.54 -32.97 65.63 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.504 0.669 . . . . 0.44 109.418 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -92.32 147.53 22.85 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.437 -0.789 . . . . 1.3 110.278 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -120.46 152.98 56.0 Favored Pre-proline 0 N--CA 1.498 1.959 0 N-CA-C 108.603 -0.888 . . . . 2.0699999999999998 108.603 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -48.1 149.93 5.49 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.452 2.101 . . . . 0.47999999999999998 111.904 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.11 135.14 26.97 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.571 -0.706 . . . . 0.27000000000000002 110.26 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -115.16 144.8 43.13 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.148 -0.97 . . . . 0.39000000000000001 110.226 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -77.73 130.83 72.3 Favored Pre-proline 0 C--N 1.303 -1.452 0 N-CA-C 108.701 -0.852 . . . . 0.41999999999999998 108.701 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.04 -7.11 16.22 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 121.841 1.694 . . . . 0.80000000000000004 112.1 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.4 mt -100.88 -58.49 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.276 -0.89 . . . . 0.53000000000000003 111.069 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.5 p -111.18 19.64 18.16 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.186 -0.946 . . . . 0.46999999999999997 110.759 -178.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 52.22 13.83 0.31 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.244 -0.91 . . . . 0.66000000000000003 111.591 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.588 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -54.05 134.75 43.77 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.465 -1.309 . . . . 0.38 107.465 178.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -93.41 109.79 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.756 -1.215 . . . . 0.41999999999999998 109.953 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.2 mm -104.77 128.7 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 107.662 -1.236 . . . . 0.26000000000000001 107.662 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.446 HH11 ' HG2' ' A' ' 44' ' ' ARG . 19.3 mtt-85 -73.81 -61.82 1.71 Allowed 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.919 -1.113 . . . . 2.0499999999999998 110.677 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -79.21 134.38 36.68 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.025 -1.047 . . . . 1.22 109.522 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -64.12 -30.54 71.6 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.587 -0.845 . . . . 0.34999999999999998 109.206 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 10.4 ptp180 -57.76 -44.45 86.15 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.828 -1.17 . . . . 0.85999999999999999 108.811 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.458 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 84.5 m-20 -64.84 -30.7 71.72 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.23 -0.919 . . . . 0.33000000000000002 109.386 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.7 tp -56.12 -46.64 79.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.037 -1.04 . . . . 0.37 108.693 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -59.87 -40.7 89.55 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.11 -1.071 . . . . 3.2400000000000002 108.11 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -66.63 -37.23 84.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.467 -0.771 . . . . 0.45000000000000001 108.976 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -60.13 -39.54 86.62 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 109.29 -0.633 . . . . 0.33000000000000002 109.29 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.67 -39.93 82.08 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.961 -1.087 . . . . 0.44 109.438 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.799 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 60.8 mm-40 -76.22 -22.18 55.52 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.155 -0.966 . . . . 2.0800000000000001 112.786 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -93.58 -42.18 9.35 Favored 'General case' 0 N--CA 1.509 2.475 0 O-C-N 120.451 -1.406 . . . . 0.5 112.157 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.535 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.6 mmm180 -106.56 16.44 24.6 Favored 'General case' 0 N--CA 1.507 2.396 0 O-C-N 120.921 -1.112 . . . . 2.21 112.318 -177.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 95.0 m-70 -155.26 -70.95 0.12 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.364 -1.46 . . . . 0.67000000000000004 111.002 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -80.58 12.99 2.73 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.117 -0.989 . . . . 0.88 109.026 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.799 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.179 -0.675 . . . . 1.0700000000000001 109.179 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.831 0 N-CA-C 109.67 -0.493 . . . . 0.93000000000000005 109.67 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -94.82 5.07 52.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.314 -0.867 . . . . 2.1000000000000001 110.03 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.595 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.3 t-160 -80.87 -36.7 0.91 Allowed Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.026 -1.046 . . . . 3.25 112.322 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 78.5 Cg_exo -50.41 138.93 38.06 Favored 'Trans proline' 0 N--CA 1.504 2.103 0 C-N-CA 122.692 2.262 . . . . 1.0 113.948 -177.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -47.5 179.23 0.01 OUTLIER 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.07 1.847 . . . . 1.3700000000000001 113.068 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.73 27.24 61.22 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.94 -1.264 . . . . 1.3 109.94 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.734 HG23 ' O ' ' A' ' 21' ' ' THR . 8.8 t -97.2 90.11 5.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.328 -1.101 . . . . 1.05 109.715 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -77.66 138.46 39.1 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.127 -1.434 . . . . 2.5899999999999999 107.127 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.78 77.59 1.09 Allowed Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 121.536 -0.728 . . . . 2.3199999999999998 111.485 -178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -52.61 145.03 39.8 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 N-CA-C 109.587 -0.967 . . . . 0.85999999999999999 109.587 177.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -67.58 -22.68 65.37 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.057 -1.027 . . . . 3.7400000000000002 109.511 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.6 m -68.71 -13.84 62.64 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.501 -0.749 . . . . 0.87 111.956 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -76.88 -49.57 15.38 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.535 -1.353 . . . . 1.0600000000000001 111.453 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -95.32 -30.84 13.73 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.721 -1.237 . . . . 0.66000000000000003 110.079 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -60.54 -36.0 77.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.831 -1.168 . . . . 2.8199999999999998 109.707 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 m -59.81 -30.37 68.87 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.261 -0.899 . . . . 0.44 110.029 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -86.79 137.75 32.16 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.943 -1.098 . . . . 1.3 109.989 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -119.37 152.17 52.3 Favored Pre-proline 0 N--CA 1.505 2.292 0 O-C-N 121.587 -0.696 . . . . 2.0699999999999998 109.644 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -42.61 152.82 0.17 Allowed 'Trans proline' 0 N--CA 1.488 1.196 0 C-N-CA 121.866 1.711 . . . . 0.47999999999999998 111.767 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.0 139.28 28.96 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.331 -0.856 . . . . 0.27000000000000002 109.97 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.2 m -117.92 145.58 44.56 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.596 -0.69 . . . . 0.39000000000000001 110.279 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.6 t -86.08 127.73 60.67 Favored Pre-proline 0 N--CA 1.492 1.651 0 N-CA-C 108.615 -0.883 . . . . 0.41999999999999998 108.615 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.67 -3.29 13.18 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.641 1.561 . . . . 0.80000000000000004 112.633 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 75.5 mt -98.39 -48.79 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.305 -0.872 . . . . 0.53000000000000003 109.957 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.629 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.4 p -124.23 24.62 8.04 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.391 -0.818 . . . . 0.46999999999999997 110.144 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 46.85 18.69 0.07 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.3 -0.875 . . . . 0.66000000000000003 111.299 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.629 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.63 138.99 57.56 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.351 -1.351 . . . . 0.38 107.351 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.7 t -99.78 110.87 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.044 -1.035 . . . . 0.41999999999999998 110.38 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.1 mm -107.03 131.76 56.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 N-CA-C 106.524 -1.658 . . . . 0.26000000000000001 106.524 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.502 HH11 ' HG2' ' A' ' 44' ' ' ARG . 30.2 mtt-85 -71.58 -63.4 1.13 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.658 -1.276 . . . . 2.0499999999999998 111.218 -177.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.532 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 92.5 mt-30 -78.73 137.2 37.66 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.23 -0.918 . . . . 1.22 110.614 -178.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.2 p -64.49 -37.35 87.22 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.82 -0.55 . . . . 0.34999999999999998 110.774 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.532 ' NH2' ' OE1' ' A' ' 45' ' ' GLN . 24.7 ptt180 -59.11 -36.01 74.42 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.479 -1.388 . . . . 0.85999999999999999 109.274 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -73.37 -23.16 60.15 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.104 -0.997 . . . . 0.33000000000000002 109.113 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.5 tp -59.78 -48.1 83.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.085 -1.009 . . . . 0.37 108.528 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -59.34 -40.2 85.59 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.644 -1.243 . . . . 3.2400000000000002 107.644 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -61.28 -36.63 80.58 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.521 0.676 . . . . 0.45000000000000001 109.682 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -64.67 -36.64 84.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.33000000000000002 109.472 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.51 -41.09 93.63 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.241 -0.912 . . . . 0.44 110.186 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.648 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 97.3 mt-10 -74.67 -16.18 60.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.293 -0.879 . . . . 2.0800000000000001 110.888 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.4 mt -95.92 -48.9 5.52 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.869 -1.145 . . . . 0.5 112.553 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.542 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 21.7 mmm180 -105.95 14.81 27.46 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 121.007 -1.058 . . . . 2.21 112.353 -177.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.542 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 84.9 m-70 -150.69 -73.87 0.16 Allowed 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.277 -1.514 . . . . 0.67000000000000004 111.188 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -79.42 13.01 2.13 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.383 -0.823 . . . . 0.88 109.141 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.492 -0.559 . . . . 1.0700000000000001 109.492 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 120.934 0.397 . . . . 0.93000000000000005 110.277 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -94.8 1.26 55.38 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.439 -0.788 . . . . 2.1000000000000001 110.815 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.636 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 45.4 t-80 -83.54 -30.98 0.49 Allowed Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 120.897 -1.127 . . . . 3.25 112.746 -178.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 77.2 Cg_exo -49.24 153.09 4.78 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.223 1.949 . . . . 1.0 112.322 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -73.58 170.09 20.8 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.81 2.34 . . . . 1.3700000000000001 112.25 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.87 13.99 81.48 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 110.304 -1.119 . . . . 1.3 110.304 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 21' ' ' THR . 9.0 t -91.61 91.41 8.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.951 -1.323 . . . . 1.05 109.492 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -79.72 159.62 26.56 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.777 -0.823 . . . . 2.5899999999999999 108.777 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -106.37 69.02 0.22 Allowed Pre-proline 0 N--CA 1.499 1.987 0 O-C-N 121.46 -0.775 . . . . 2.3199999999999998 110.153 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -63.31 134.34 44.79 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 121.538 1.492 . . . . 0.85999999999999999 111.656 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' A' ' 25' ' ' ARG . 62.5 mtt-85 -75.01 -3.98 35.6 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.3 -0.875 . . . . 3.7400000000000002 110.212 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -69.97 -15.66 63.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.821 -1.175 . . . . 0.87 109.202 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -97.22 -18.08 19.46 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.245 -0.909 . . . . 1.0600000000000001 109.839 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.5 p -105.56 -30.13 9.71 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.106 -0.996 . . . . 0.66000000000000003 110.569 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -67.65 -29.63 68.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.898 -1.126 . . . . 2.8199999999999998 109.136 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 m -60.75 -32.33 71.63 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.797 0.808 . . . . 0.44 108.838 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -93.41 139.24 30.92 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 109.058 -0.719 . . . . 1.3 109.058 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.503 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 0.9 OUTLIER -116.1 150.72 45.65 Favored Pre-proline 0 N--CA 1.502 2.138 0 O-C-N 121.613 -0.679 . . . . 2.0699999999999998 109.694 -179.66 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -38.73 150.26 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.515 2.143 . . . . 0.47999999999999998 112.048 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -147.04 132.33 18.47 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.283 -0.886 . . . . 0.27000000000000002 110.646 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.5 HG22 ' N ' ' A' ' 36' ' ' CYS . 90.8 m -110.47 161.79 15.33 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.626 -0.671 . . . . 0.39000000000000001 109.282 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.554 ' O ' ' N ' ' A' ' 40' ' ' TYR . 18.0 t -105.86 103.17 42.89 Favored Pre-proline 0 N--CA 1.499 1.995 0 O-C-N 121.566 -0.709 . . . . 0.41999999999999998 109.472 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.53 -1.31 0.67 Allowed 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 121.812 1.674 . . . . 0.80000000000000004 113.125 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 75.7 mt -97.4 -46.95 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.027 -1.046 . . . . 0.53000000000000003 109.321 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 18.3 p -123.93 10.48 8.88 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.386 -0.821 . . . . 0.46999999999999997 109.05 178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.554 ' N ' ' O ' ' A' ' 36' ' ' CYS . 96.2 m-85 55.57 18.82 2.91 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.534 -0.729 . . . . 0.66000000000000003 110.361 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.627 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.95 140.03 56.99 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.663 -1.236 . . . . 0.38 107.663 178.449 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.4 t -95.44 110.03 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.055 -1.028 . . . . 0.41999999999999998 110.3 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 34' ' ' ALA . 39.1 mm -108.07 129.45 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 106.348 -1.723 . . . . 0.26000000000000001 106.348 177.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.467 ' HG2' HH11 ' A' ' 44' ' ' ARG . 10.3 mtt-85 -70.4 -61.23 1.85 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.625 -1.297 . . . . 2.0499999999999998 110.596 -177.436 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.716 HE22 ' NH2' ' A' ' 47' ' ' ARG . 98.3 mt-30 -77.45 139.7 39.7 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.169 -0.957 . . . . 1.22 109.921 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.5 p -70.35 -40.22 74.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.179 -0.951 . . . . 0.34999999999999998 109.836 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.716 ' NH2' HE22 ' A' ' 45' ' ' GLN . 27.0 ptt180 -55.3 -41.41 72.32 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.756 -1.215 . . . . 0.85999999999999999 108.745 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -66.08 -29.87 70.28 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.126 -0.984 . . . . 0.33000000000000002 109.73 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.458 HD22 ' HB1' ' A' ' 34' ' ' ALA . 60.2 tp -60.0 -44.11 94.75 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.025 -1.047 . . . . 0.37 109.688 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.459 ' HG2' HH11 ' A' ' 50' ' ' ARG . 16.9 ttt-85 -60.02 -41.13 91.52 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.943 -1.098 . . . . 3.2400000000000002 108.702 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -64.61 -34.53 78.48 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.578 -0.849 . . . . 0.45000000000000001 109.04 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -63.35 -35.59 80.89 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.212 -0.93 . . . . 0.33000000000000002 109.199 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.38 -48.72 80.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.933 . . . . 0.44 110.253 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.728 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 71.5 mt-10 -68.81 -20.91 64.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.124 -0.985 . . . . 2.0800000000000001 111.558 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.9 mt -93.17 -32.27 14.46 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.68 -1.263 . . . . 0.5 112.381 -178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.516 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 16.4 mmm-85 -115.53 0.78 13.44 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 120.927 -1.108 . . . . 2.21 112.859 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 60.9 m-70 -146.0 -68.22 0.28 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 120.324 -1.485 . . . . 0.67000000000000004 110.594 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.7 15.94 0.95 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.063 -1.023 . . . . 0.88 110.181 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.287 -0.883 . . . . 1.0700000000000001 108.962 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 121.517 0.675 . . . . 0.93000000000000005 110.989 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -93.46 6.67 47.4 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.54 -0.725 . . . . 2.1000000000000001 109.343 178.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.594 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 65.5 t-80 -77.95 -30.91 0.76 Allowed Pre-proline 0 N--CA 1.495 1.812 0 O-C-N 121.181 -0.949 . . . . 3.25 112.699 -177.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.6 Cg_exo -53.51 152.31 21.38 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 121.722 1.615 . . . . 1.0 111.744 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -78.0 176.83 9.52 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.779 2.32 . . . . 1.3700000000000001 112.893 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.23 37.97 54.43 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.157 -1.177 . . . . 1.3 110.157 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 21' ' ' THR . 15.1 t -88.55 99.34 12.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.044 -1.268 . . . . 1.05 109.36 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -82.14 145.02 30.35 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.602 -0.888 . . . . 2.5899999999999999 108.602 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.508 ' HZ3' ' HB3' ' A' ' 23' ' ' LYS . 7.7 mmmm -106.77 72.36 0.3 Allowed Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 121.526 -0.734 . . . . 2.3199999999999998 111.22 -178.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.88 136.79 33.55 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.548 1.498 . . . . 0.85999999999999999 111.667 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.55 HH11 ' HG2' ' A' ' 25' ' ' ARG . 20.7 mtt-85 -72.51 -10.02 59.28 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.329 -0.857 . . . . 3.7400000000000002 110.096 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -72.01 1.06 7.89 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.093 -1.004 . . . . 0.87 111.054 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -101.1 -26.84 13.55 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.712 -1.243 . . . . 1.0600000000000001 109.503 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 p -111.07 -33.24 6.53 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.545 -0.722 . . . . 0.66000000000000003 110.089 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.404 ' OE1' ' O ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -61.13 -40.0 92.15 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.463 -0.773 . . . . 2.8199999999999998 110.133 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.3 m -60.6 -30.81 70.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.353 -0.842 . . . . 0.44 109.224 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -90.34 134.83 34.06 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.442 -0.786 . . . . 1.3 109.803 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -115.02 148.91 41.59 Favored Pre-proline 0 N--CA 1.503 2.18 0 N-CA-C 108.755 -0.832 . . . . 2.0699999999999998 108.755 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -37.38 155.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.242 0 C-N-CA 122.256 1.971 . . . . 0.47999999999999998 112.878 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -147.89 132.93 18.21 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.349 -0.844 . . . . 0.27000000000000002 110.149 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.0 m -112.4 145.61 39.82 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.579 -0.701 . . . . 0.39000000000000001 109.642 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.29 129.67 54.7 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.123 -0.986 . . . . 0.41999999999999998 108.522 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -78.58 -5.85 15.05 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 121.571 1.514 . . . . 0.80000000000000004 112.932 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 38' ' ' ILE . 49.1 mt -99.41 -43.71 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.225 -0.922 . . . . 0.53000000000000003 110.539 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.5 p -126.95 19.15 7.14 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.204 -0.935 . . . . 0.46999999999999997 110.33 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 52.93 14.48 0.45 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.465 -0.772 . . . . 0.66000000000000003 111.727 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.521 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.02 139.94 53.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.541 -1.349 . . . . 0.38 108.233 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.7 t -94.46 116.83 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.061 -1.024 . . . . 0.41999999999999998 109.993 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' ALA . 30.9 mm -111.92 129.99 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 106.777 -1.564 . . . . 0.26000000000000001 106.777 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -75.45 -62.6 1.52 Allowed 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.557 -1.34 . . . . 2.0499999999999998 109.935 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -80.97 133.16 35.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.908 -1.12 . . . . 1.22 110.603 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.8 p -63.99 -28.07 69.56 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.508 -0.745 . . . . 0.34999999999999998 110.265 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -59.69 -40.04 86.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.543 -1.348 . . . . 0.85999999999999999 108.358 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -70.8 -26.63 63.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.4 -0.813 . . . . 0.33000000000000002 109.389 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.7 tp -57.96 -47.33 83.24 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 119.183 -1.007 . . . . 0.37 108.339 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.54 HH11 ' HG2' ' A' ' 50' ' ' ARG . 7.4 mmt-85 -59.03 -40.89 86.39 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.05 -1.031 . . . . 3.2400000000000002 108.257 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -63.28 -39.27 94.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.444 -0.785 . . . . 0.45000000000000001 109.195 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -61.16 -36.82 80.83 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.519 -0.738 . . . . 0.33000000000000002 109.468 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.12 -44.68 96.97 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.929 -1.107 . . . . 0.44 109.447 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.757 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 92.3 mt-10 -70.85 -28.85 64.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.305 -0.872 . . . . 2.0800000000000001 112.033 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.1 mt -85.91 -48.9 8.3 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.692 -1.255 . . . . 0.5 112.73 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.5 mmm180 -103.37 18.3 22.12 Favored 'General case' 0 N--CA 1.507 2.421 0 O-C-N 120.798 -1.189 . . . . 2.21 112.261 -177.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.488 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 95.3 m-70 -153.6 -76.7 0.11 Allowed 'General case' 0 N--CA 1.502 2.162 0 O-C-N 119.978 -1.702 . . . . 0.67000000000000004 111.273 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -79.44 20.31 0.56 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.982 -1.074 . . . . 0.88 110.138 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.293 -1.87 0 O-C-N 121.585 -0.697 . . . . 1.0700000000000001 109.54 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 121.099 0.476 . . . . 0.93000000000000005 110.293 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -95.97 10.93 35.74 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.395 -0.816 . . . . 2.1000000000000001 109.811 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.623 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 66.8 t-80 -81.38 -28.9 0.49 Allowed Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.226 -0.921 . . . . 3.25 112.466 -179.058 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 76.5 Cg_exo -50.36 155.91 4.49 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 121.406 1.404 . . . . 1.0 111.006 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.03 179.94 3.98 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.019 1.813 . . . . 1.3700000000000001 112.143 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.68 15.82 79.28 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.319 -1.512 . . . . 1.3 109.319 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 21' ' ' THR . 8.8 t -91.85 91.61 7.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.362 -1.081 . . . . 1.05 108.983 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -73.68 149.09 42.16 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.576 -0.702 . . . . 2.5899999999999999 109.475 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -106.66 72.96 0.31 Allowed Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.474 -0.767 . . . . 2.3199999999999998 110.464 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.25 141.73 63.92 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 121.775 1.65 . . . . 0.85999999999999999 111.953 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -73.49 -6.51 46.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.131 -0.981 . . . . 3.7400000000000002 110.113 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -72.02 -7.05 46.55 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.205 -0.935 . . . . 0.87 109.308 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.2 mmt-85 -104.29 -23.54 13.21 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.454 -0.779 . . . . 1.0600000000000001 109.943 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 p -107.9 -36.47 6.36 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.368 -0.832 . . . . 0.66000000000000003 109.182 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.97 -42.64 94.57 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.079 -1.013 . . . . 2.8199999999999998 109.818 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.2 m -55.25 -30.09 59.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.041 -1.037 . . . . 0.44 109.932 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -92.79 137.39 32.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.131 -0.981 . . . . 1.3 109.758 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -117.15 153.66 49.81 Favored Pre-proline 0 N--CA 1.497 1.91 0 N-CA-C 108.278 -1.008 . . . . 2.0699999999999998 108.278 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.08 153.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 121.414 1.409 . . . . 0.47999999999999998 112.188 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.51 133.5 22.68 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.511 -0.743 . . . . 0.27000000000000002 110.209 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 36' ' ' CYS . 38.7 m -111.08 161.46 15.88 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.907 -0.775 . . . . 0.39000000000000001 108.907 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.447 ' N ' HG22 ' A' ' 35' ' ' THR . 2.9 t -102.76 106.26 49.06 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.381 -0.825 . . . . 0.41999999999999998 109.179 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.66 -5.78 0.33 Allowed 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 121.607 1.538 . . . . 0.80000000000000004 112.793 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mt -97.9 -68.5 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 120.915 -1.116 . . . . 0.53000000000000003 110.243 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.639 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.9 p -104.47 21.45 16.69 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.32 -0.862 . . . . 0.46999999999999997 109.413 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 47.5 17.78 0.09 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.646 -0.659 . . . . 0.66000000000000003 111.429 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.639 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.59 141.57 47.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.965 -1.084 . . . . 0.38 108.277 178.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 t -96.41 115.41 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 120.853 -1.154 . . . . 0.41999999999999998 110.33 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' ALA . 33.1 mm -110.96 124.52 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 N-CA-C 107.235 -1.394 . . . . 0.26000000000000001 107.235 177.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -69.85 -56.81 6.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.635 -1.291 . . . . 2.0499999999999998 110.173 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -83.2 134.62 34.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.1 -1.0 . . . . 1.22 110.806 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.6 p -64.48 -40.17 95.18 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.437 -0.79 . . . . 0.34999999999999998 110.928 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -56.87 -36.79 70.48 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.56 -1.338 . . . . 0.85999999999999999 108.937 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -68.83 -28.11 66.44 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.206 -0.934 . . . . 0.33000000000000002 109.212 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.49 -46.55 88.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.937 -1.102 . . . . 0.37 109.138 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -57.36 -43.23 83.34 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.872 -1.158 . . . . 3.2400000000000002 107.872 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -60.41 -38.82 85.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.404 -0.81 . . . . 0.45000000000000001 109.424 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -60.63 -39.42 88.2 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.488 -0.758 . . . . 0.33000000000000002 109.911 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.44 -40.47 86.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.909 -1.12 . . . . 0.44 109.173 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.922 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 66.8 mm-40 -74.35 -26.77 60.33 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.612 -0.68 . . . . 2.0800000000000001 112.236 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.5 mt -92.69 -44.04 8.76 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.641 -1.287 . . . . 0.5 112.793 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 3.5 mmp_? -103.98 20.63 17.84 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 120.418 -1.426 . . . . 2.21 112.745 -178.053 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.5 m-70 -152.74 -69.36 0.15 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.052 -1.655 . . . . 0.67000000000000004 111.553 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -78.94 -2.36 39.64 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.51 -1.369 . . . . 0.88 108.599 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.922 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.302 -1.497 0 N-CA-C 109.0 -0.741 . . . . 1.0700000000000001 109.0 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 120.888 0.375 . . . . 0.93000000000000005 110.676 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -93.4 10.02 33.98 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.303 -0.873 . . . . 2.1000000000000001 108.968 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.625 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 9.8 m170 -82.96 -30.32 0.48 Allowed Pre-proline 0 N--CA 1.497 1.888 0 N-CA-C 113.48 0.919 . . . . 3.25 113.48 -177.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.2 Cg_exo -52.04 145.55 33.1 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 121.941 1.761 . . . . 1.0 112.924 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.57 167.7 26.5 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.327 2.018 . . . . 1.3700000000000001 112.025 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.28 28.7 61.46 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.612 -1.395 . . . . 1.3 109.612 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 21' ' ' THR . 9.2 t -91.65 87.2 6.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.936 -1.332 . . . . 1.05 109.572 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -84.34 139.16 32.47 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.19 -0.944 . . . . 2.5899999999999999 109.643 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -86.31 116.25 65.13 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.872 . . . . 2.3199999999999998 109.732 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -86.07 139.63 6.35 Favored 'Trans proline' 0 C--N 1.316 -1.174 0 C-N-CA 122.002 1.801 . . . . 0.85999999999999999 110.877 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' A' ' 25' ' ' ARG . 30.1 mtt-85 -67.32 -22.92 65.59 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 121.198 -0.939 . . . . 3.7400000000000002 109.978 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.2 m -66.44 -12.5 57.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.072 -1.017 . . . . 0.87 111.025 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.539 HH11 ' CG ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -93.35 -19.31 21.46 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.498 -1.377 . . . . 1.0600000000000001 110.853 -179.513 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.3 p -111.57 -40.32 4.38 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.008 -1.057 . . . . 0.66000000000000003 109.83 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -59.79 -33.24 71.46 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.027 -1.045 . . . . 2.8199999999999998 109.195 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.2 m -59.61 -37.76 79.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.336 -0.852 . . . . 0.44 109.964 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.538 ' OE2' ' NH2' ' A' ' 47' ' ' ARG . 67.3 mm-40 -86.86 137.3 32.52 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.905 -1.122 . . . . 1.3 109.029 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -110.26 149.67 40.47 Favored Pre-proline 0 N--CA 1.502 2.163 0 N-CA-C 108.235 -1.024 . . . . 2.0699999999999998 108.235 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -38.09 154.9 0.03 OUTLIER 'Trans proline' 0 N--CA 1.486 1.072 0 C-N-CA 122.087 1.858 . . . . 0.47999999999999998 111.527 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.96 128.82 16.35 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.161 -0.962 . . . . 0.27000000000000002 110.451 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.0 m -112.24 153.26 27.38 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.483 0.659 . . . . 0.39000000000000001 109.368 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.1 t -91.82 127.39 50.12 Favored Pre-proline 0 N--CA 1.492 1.657 0 N-CA-C 108.677 -0.86 . . . . 0.41999999999999998 108.677 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.16 -5.01 15.83 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 121.42 1.414 . . . . 0.80000000000000004 112.419 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -98.09 -42.07 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.179 -0.95 . . . . 0.53000000000000003 110.384 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.527 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.4 p -132.6 21.62 4.29 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.454 -0.779 . . . . 0.46999999999999997 110.669 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 51.43 18.01 0.61 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.249 -0.907 . . . . 0.66000000000000003 111.886 178.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.527 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.7 132.87 54.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.632 -1.292 . . . . 0.38 108.045 178.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.24 109.68 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 120.832 -1.168 . . . . 0.41999999999999998 110.364 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.9 mm -110.53 125.15 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 107.991 -1.114 . . . . 0.26000000000000001 107.991 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.543 HH11 ' HG2' ' A' ' 44' ' ' ARG . 22.0 mtt-85 -67.76 -57.3 6.58 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.084 -1.01 . . . . 2.0499999999999998 111.223 -178.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -80.06 133.87 36.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.019 -1.05 . . . . 1.22 110.377 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.5 p -63.45 -36.9 85.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.192 -0.942 . . . . 0.34999999999999998 109.372 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.538 ' NH2' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.4 -40.28 86.1 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.013 -1.054 . . . . 0.85999999999999999 109.667 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -65.68 -30.37 71.05 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.086 -1.009 . . . . 0.33000000000000002 109.229 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.23 -47.16 87.16 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.119 -0.988 . . . . 0.37 110.195 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -56.98 -40.58 76.8 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.525 -1.36 . . . . 3.2400000000000002 108.146 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -60.79 -39.75 90.07 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.935 -0.765 . . . . 0.45000000000000001 108.935 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -62.11 -35.17 77.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.567 -0.708 . . . . 0.33000000000000002 109.793 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.79 -46.76 88.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.14 -0.975 . . . . 0.44 109.528 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.593 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 49.2 mt-10 -72.57 -17.13 61.73 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.277 -0.889 . . . . 2.0800000000000001 111.984 -179.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.16 -47.08 7.12 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.375 -1.453 . . . . 0.5 112.923 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.495 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 21.4 mmm180 -106.37 15.09 26.52 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 120.653 -1.28 . . . . 2.21 112.516 -177.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.495 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 87.5 m-70 -150.9 -74.25 0.15 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.281 -1.512 . . . . 0.67000000000000004 111.006 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -78.88 13.19 1.81 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.248 -0.907 . . . . 0.88 108.925 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.301 -1.502 0 O-C-N 121.385 -0.822 . . . . 1.0700000000000001 109.1 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.206 -0.664 . . . . 0.93000000000000005 109.206 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -94.62 4.17 54.17 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.287 -0.883 . . . . 2.1000000000000001 109.816 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.608 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 55.0 t-80 -80.02 -32.75 0.73 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.379 -0.825 . . . . 3.25 112.575 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 50.8 Cg_exo -53.66 145.23 49.63 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 121.935 1.756 . . . . 1.0 112.487 -178.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -75.92 171.54 17.96 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.451 2.101 . . . . 1.3700000000000001 113.194 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.71 24.69 66.73 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.123 -1.191 . . . . 1.3 110.123 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 21' ' ' THR . 5.0 t -88.48 91.99 9.01 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.866 -1.373 . . . . 1.05 108.89 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -78.45 148.67 33.46 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.528 -0.733 . . . . 2.5899999999999999 110.27 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -106.3 75.9 0.38 Allowed Pre-proline 0 N--CA 1.501 2.12 0 O-C-N 121.367 -0.833 . . . . 2.3199999999999998 110.247 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -61.11 143.28 98.83 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.235 1.29 . . . . 0.85999999999999999 111.494 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' A' ' 25' ' ' ARG . 21.5 mtt-85 -71.84 -9.83 58.89 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.455 -0.778 . . . . 3.7400000000000002 109.766 -179.299 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 m -73.02 -6.21 43.98 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.171 -0.956 . . . . 0.87 110.019 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -109.99 -26.68 9.6 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.327 -0.858 . . . . 1.0600000000000001 110.753 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 p -106.08 -33.82 7.75 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.208 -0.933 . . . . 0.66000000000000003 109.171 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -58.98 -39.58 82.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.027 -1.046 . . . . 2.8199999999999998 108.731 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.5 m -59.02 -20.26 51.48 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.036 -1.04 . . . . 0.44 109.662 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -88.02 134.33 33.76 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.116 -0.99 . . . . 1.3 110.732 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -116.19 152.87 48.34 Favored Pre-proline 0 N--CA 1.504 2.238 0 N-CA-C 108.937 -0.764 . . . . 2.0699999999999998 108.937 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.85 150.23 23.52 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 121.757 1.638 . . . . 0.47999999999999998 111.281 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -141.04 132.43 26.76 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.576 -0.703 . . . . 0.27000000000000002 110.019 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -115.72 141.36 48.19 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.558 -0.714 . . . . 0.39000000000000001 109.719 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.9 t -77.51 129.39 77.32 Favored Pre-proline 0 N--CA 1.493 1.701 0 N-CA-C 108.616 -0.883 . . . . 0.41999999999999998 108.616 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -79.85 -6.93 14.4 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.207 1.271 . . . . 0.80000000000000004 111.908 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.7 mt -97.3 -53.38 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.453 -0.779 . . . . 0.53000000000000003 110.39 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.4 p -117.59 21.68 12.85 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.494 -0.754 . . . . 0.46999999999999997 110.864 -178.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 48.6 16.0 0.1 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.197 -0.939 . . . . 0.66000000000000003 111.689 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.565 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.18 136.63 57.3 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.593 -1.317 . . . . 0.38 107.469 178.33 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.13 112.91 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.022 -1.049 . . . . 0.41999999999999998 110.413 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.8 mm -108.99 129.4 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 107.712 -1.218 . . . . 0.26000000000000001 107.712 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.443 HH11 ' HG2' ' A' ' 44' ' ' ARG . 21.0 mtt-85 -74.98 -56.82 4.36 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.629 -1.294 . . . . 2.0499999999999998 110.656 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.492 ' OE1' ' NE ' ' A' ' 47' ' ' ARG . 93.5 mt-30 -80.42 136.18 36.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.611 -1.305 . . . . 1.22 110.343 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.9 p -67.89 -36.61 80.54 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.361 -0.837 . . . . 0.34999999999999998 110.052 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.492 ' NE ' ' OE1' ' A' ' 45' ' ' GLN . 21.6 ptt180 -58.48 -38.56 77.88 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.618 -1.301 . . . . 0.85999999999999999 108.944 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.49 -35.83 81.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.155 -0.966 . . . . 0.33000000000000002 108.97 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.404 HD22 ' HB1' ' A' ' 34' ' ' ALA . 44.8 tp -52.2 -45.56 65.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.062 -1.024 . . . . 0.37 109.161 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -60.12 -40.32 89.32 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.671 -1.233 . . . . 3.2400000000000002 107.671 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -64.38 -36.41 84.06 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.415 0.626 . . . . 0.45000000000000001 109.529 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -62.41 -38.75 90.89 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.481 -0.762 . . . . 0.33000000000000002 109.958 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.74 -42.08 92.39 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.024 -1.048 . . . . 0.44 109.032 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.688 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 90.7 mt-10 -73.33 -20.48 60.78 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.888 -1.132 . . . . 2.0800000000000001 111.161 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.3 mt -84.37 -60.08 2.19 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.707 -1.246 . . . . 0.5 112.835 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.4 mmm180 -105.85 27.91 8.06 Favored 'General case' 0 N--CA 1.511 2.587 0 O-C-N 120.694 -1.254 . . . . 2.21 112.522 -176.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.9 m-70 -151.97 -75.86 0.13 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.139 -1.601 . . . . 0.67000000000000004 110.93 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -75.96 5.42 6.57 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.144 -0.972 . . . . 0.88 110.046 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.315 -0.866 . . . . 1.0700000000000001 109.844 179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.586 -0.524 . . . . 0.93000000000000005 109.586 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -93.85 5.41 51.74 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.427 -0.795 . . . . 2.1000000000000001 110.01 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.606 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 28.6 t-80 -78.85 -31.42 0.73 Allowed Pre-proline 0 C--N 1.3 -1.572 0 O-C-N 120.891 -1.131 . . . . 3.25 112.466 -178.272 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 71.7 Cg_exo -49.75 147.8 13.27 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 121.779 1.653 . . . . 1.0 111.458 -178.471 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.18 171.09 18.69 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.982 1.788 . . . . 1.3700000000000001 112.333 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.62 24.99 61.53 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 110.609 -0.996 . . . . 1.3 110.609 179.379 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.455 ' H ' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER -89.96 88.61 7.38 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.751 -1.441 . . . . 1.05 109.479 -179.711 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -77.76 150.39 34.37 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 121.148 -0.97 . . . . 2.5899999999999999 109.367 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -107.12 69.5 0.25 Allowed Pre-proline 0 N--CA 1.503 2.213 0 O-C-N 121.259 -0.9 . . . . 2.3199999999999998 110.692 179.19 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -65.13 141.77 71.11 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 121.289 1.326 . . . . 0.85999999999999999 110.696 178.937 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -71.77 -3.88 24.56 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.134 -0.979 . . . . 3.7400000000000002 109.861 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 m -70.16 -4.93 23.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.428 -0.795 . . . . 0.87 110.491 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -103.3 -26.63 12.87 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.873 -1.142 . . . . 1.0600000000000001 109.678 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.3 p -101.87 -36.81 8.52 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.203 -0.935 . . . . 0.66000000000000003 110.022 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -60.87 -31.6 71.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.447 -0.783 . . . . 2.8199999999999998 110.086 -179.018 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.2 m -58.79 -32.97 69.81 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.319 -0.863 . . . . 0.44 108.845 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -89.72 151.57 21.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.176 -0.953 . . . . 1.3 110.595 -179.371 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.461 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 28.1 mp0 -118.04 156.06 50.67 Favored Pre-proline 0 N--CA 1.497 1.878 0 N-CA-C 108.022 -1.103 . . . . 2.0699999999999998 108.022 178.593 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -47.46 157.45 0.81 Allowed 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.527 1.485 . . . . 0.47999999999999998 111.635 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.25 136.16 26.15 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.987 -1.071 . . . . 0.27000000000000002 110.498 -179.435 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.7 m -117.77 146.94 43.45 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 108.719 -0.845 . . . . 0.39000000000000001 108.719 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -86.21 129.22 54.54 Favored Pre-proline 0 C--N 1.296 -1.721 0 O-C-N 121.382 -0.824 . . . . 0.41999999999999998 109.145 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.08 -2.55 12.64 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 120.938 1.092 . . . . 0.80000000000000004 112.488 -179.479 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.2 mt -99.75 -56.21 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.241 -0.912 . . . . 0.53000000000000003 110.386 -179.545 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.1 p -114.7 14.54 17.55 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.602 -0.686 . . . . 0.46999999999999997 110.243 -179.062 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 55.5 18.19 2.57 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.173 -0.954 . . . . 0.66000000000000003 110.936 179.284 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.638 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.39 141.02 43.66 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.634 -1.247 . . . . 0.38 107.634 178.376 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.7 t -96.79 112.78 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.68 -1.263 . . . . 0.41999999999999998 110.125 -178.799 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.1 mm -110.23 130.45 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 N-CA-C 108.17 -1.048 . . . . 0.26000000000000001 108.17 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -75.83 -63.4 1.31 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.67 -1.269 . . . . 2.0499999999999998 109.782 -178.88 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -77.86 133.05 38.22 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.33 -0.856 . . . . 1.22 111.042 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.8 p -62.18 -35.81 79.96 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.551 -0.718 . . . . 0.34999999999999998 111.377 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.3 ptp180 -58.22 -39.61 79.51 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.546 -1.346 . . . . 0.85999999999999999 108.746 -179.376 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.404 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 88.4 m-20 -67.76 -30.09 69.46 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.499 -0.75 . . . . 0.33000000000000002 109.57 179.476 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.81 -44.75 86.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.048 -1.033 . . . . 0.37 109.15 -179.48 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -61.7 -39.18 90.58 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.752 -1.218 . . . . 3.2400000000000002 108.403 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -65.53 -36.33 83.5 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.693 0.759 . . . . 0.45000000000000001 109.466 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -63.32 -32.6 74.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.352 -0.843 . . . . 0.33000000000000002 110.14 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 58' ' ' PHE . 90.0 mt -65.72 -40.81 92.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.542 -1.349 . . . . 0.44 109.371 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 49.2 mt-10 -72.13 -27.85 62.88 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.419 -0.8 . . . . 2.0800000000000001 111.192 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.0 mt -91.05 -21.28 21.32 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.647 -1.283 . . . . 0.5 113.297 -177.8 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.536 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 24.6 mmm180 -127.01 -0.95 6.54 Favored 'General case' 0 N--CA 1.513 2.712 0 O-C-N 120.663 -1.273 . . . . 2.21 112.246 -178.15 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 53.0 m-70 -146.69 -63.33 0.3 Allowed 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.036 -1.665 . . . . 0.67000000000000004 110.237 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 53' ' ' LEU . 29.1 m-85 -78.37 17.15 0.68 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.185 -0.947 . . . . 0.88 108.642 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.297 -1.71 0 C-N-CA 119.827 -0.749 . . . . 1.0700000000000001 109.353 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.014 0 CA-C-O 120.928 0.394 . . . . 0.93000000000000005 110.216 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -89.0 16.18 7.44 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.978 -0.749 . . . . 2.1000000000000001 108.978 178.639 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 13.7 t60 -80.8 -31.43 0.61 Allowed Pre-proline 0 N--CA 1.495 1.804 0 O-C-N 121.226 -0.921 . . . . 3.25 112.383 -178.375 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 82.0 Cg_exo -51.24 141.69 38.63 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 121.963 1.775 . . . . 1.0 111.964 -178.85 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.5 174.86 12.15 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.256 1.971 . . . . 1.3700000000000001 111.423 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.57 25.38 63.15 Favored Glycine 0 N--CA 1.491 2.347 0 C-N-CA 119.909 -1.139 . . . . 1.3 110.533 179.034 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.34 93.12 8.9 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.25 -1.147 . . . . 1.05 108.568 179.135 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.98 154.59 39.24 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.533 -0.914 . . . . 2.5899999999999999 108.533 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -105.93 71.86 0.25 Allowed Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 121.405 -0.809 . . . . 2.3199999999999998 110.349 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -69.6 136.46 33.48 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.694 1.596 . . . . 0.85999999999999999 110.372 179.238 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.562 HH11 ' HG2' ' A' ' 25' ' ' ARG . 18.0 mtt-85 -73.84 -6.16 45.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.096 -1.003 . . . . 3.7400000000000002 110.619 -179.146 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -73.95 -7.64 53.11 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.334 -0.854 . . . . 0.87 111.412 -179.031 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -98.89 -26.94 14.12 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.865 -1.147 . . . . 1.0600000000000001 109.432 -179.377 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 p -105.27 -44.19 4.81 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.281 -0.887 . . . . 0.66000000000000003 109.511 179.406 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -57.12 -34.2 68.13 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.39 -0.819 . . . . 2.8199999999999998 109.891 -178.757 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.5 m -55.33 -29.99 59.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.916 -1.115 . . . . 0.44 109.606 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.539 ' CG ' HH21 ' A' ' 47' ' ' ARG . 72.8 mm-40 -93.73 143.77 26.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.901 -1.124 . . . . 1.3 110.604 -179.179 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -115.95 150.49 45.12 Favored Pre-proline 0 N--CA 1.501 2.08 0 N-CA-C 108.843 -0.799 . . . . 2.0699999999999998 108.843 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -37.23 157.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.445 2.096 . . . . 0.47999999999999998 112.4 -179.416 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.88 134.63 16.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.214 -0.929 . . . . 0.27000000000000002 110.964 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 36' ' ' CYS . 98.5 m -115.71 162.06 17.81 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.415 -0.803 . . . . 0.39000000000000001 110.089 179.222 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.583 ' N ' HG22 ' A' ' 35' ' ' THR . 7.8 t -105.22 102.9 39.35 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.547 -0.72 . . . . 0.41999999999999998 109.643 179.583 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -55.66 -2.94 0.34 Allowed 'Trans proline' 0 N--CA 1.504 2.136 0 C-N-CA 122.194 1.93 . . . . 0.80000000000000004 113.737 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 89.4 mt -98.01 -55.13 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.834 -1.166 . . . . 0.53000000000000003 110.278 -179.448 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.9 p -115.92 6.48 14.22 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.472 -0.768 . . . . 0.46999999999999997 109.506 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 61.78 22.99 13.42 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 122.069 -0.394 . . . . 0.66000000000000003 111.81 178.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.57 135.62 57.81 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.929 -1.137 . . . . 0.38 107.929 177.786 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.3 109.67 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.079 -1.013 . . . . 0.41999999999999998 109.613 -179.443 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mm -110.88 129.35 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 107.881 -1.155 . . . . 0.26000000000000001 107.881 178.914 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.533 HH11 ' HG2' ' A' ' 44' ' ' ARG . 25.3 mtt-85 -73.13 -61.8 1.69 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.944 -1.097 . . . . 2.0499999999999998 110.35 -178.78 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -76.34 135.65 39.54 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.647 -1.283 . . . . 1.22 110.181 -179.513 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.7 p -67.23 -36.78 82.38 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.605 -0.685 . . . . 0.34999999999999998 110.587 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.539 HH21 ' CG ' ' A' ' 31' ' ' GLU . 11.9 ptp180 -58.2 -37.65 75.22 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.094 -1.004 . . . . 0.85999999999999999 108.938 -179.17 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.25 -32.28 71.38 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.374 -0.829 . . . . 0.33000000000000002 110.215 179.531 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.0 tp -56.81 -46.37 81.65 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.767 -1.208 . . . . 0.37 109.185 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -56.84 -40.02 75.32 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 107.857 -1.164 . . . . 3.2400000000000002 107.857 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -63.74 -40.4 96.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.373 -0.829 . . . . 0.45000000000000001 108.907 178.635 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -59.47 -38.53 81.02 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.546 -0.721 . . . . 0.33000000000000002 109.102 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 58' ' ' PHE . 88.8 mt -57.6 -40.54 79.33 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.941 -1.099 . . . . 0.44 108.834 179.432 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.623 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 76.5 mm-40 -72.17 -19.74 61.71 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.314 -0.866 . . . . 2.0800000000000001 110.792 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.7 mt -83.88 -57.69 3.1 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.752 -1.218 . . . . 0.5 112.604 -178.11 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.593 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 22.7 mmm180 -105.81 9.64 32.85 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.827 -1.171 . . . . 2.21 112.638 -176.623 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 31.0 m-70 -143.72 -70.6 0.31 Allowed 'General case' 0 N--CA 1.511 2.613 0 O-C-N 120.571 -1.331 . . . . 0.67000000000000004 110.675 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 53' ' ' LEU . 31.6 m-85 -80.74 22.42 0.6 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.175 -0.953 . . . . 0.88 109.543 -179.458 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.295 -1.791 0 O-C-N 121.481 -0.762 . . . . 1.0700000000000001 110.213 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 121.058 0.456 . . . . 0.93000000000000005 110.341 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -90.51 9.34 29.76 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.758 -0.83 . . . . 2.1000000000000001 108.758 179.106 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.61 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.5 t60 -81.22 -30.2 0.54 Allowed Pre-proline 0 N--CA 1.501 2.096 0 N-CA-C 113.484 0.92 . . . . 3.25 113.484 -177.519 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 56.8 Cg_exo -53.32 144.51 49.03 Favored 'Trans proline' 0 N--CA 1.501 1.942 0 C-N-CA 122.444 2.096 . . . . 1.0 113.056 -178.397 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.76 175.43 10.31 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.502 2.135 . . . . 1.3700000000000001 112.059 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.2 27.04 64.78 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.081 -1.207 . . . . 1.3 110.081 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -90.56 96.18 10.52 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.96 -1.318 . . . . 1.05 108.85 179.865 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -72.46 152.0 42.21 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.226 -0.921 . . . . 2.5899999999999999 109.26 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HZ3' ' HA ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -106.1 76.41 0.38 Allowed Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 121.488 -0.757 . . . . 2.3199999999999998 111.524 -178.459 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.76 132.98 17.88 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 121.143 1.229 . . . . 0.85999999999999999 111.084 178.725 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.481 HH11 ' HG2' ' A' ' 25' ' ' ARG . 5.2 mmt-85 -76.49 -6.61 52.52 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.328 -0.857 . . . . 3.7400000000000002 109.637 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.4 m -72.73 -7.51 50.9 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.136 -0.978 . . . . 0.87 109.905 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' A' ' 27' ' ' ARG . 7.6 mmt-85 -95.93 -29.18 14.31 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.123 -0.985 . . . . 1.0600000000000001 110.608 -179.259 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 p -107.2 -43.63 4.55 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.291 -0.881 . . . . 0.66000000000000003 109.775 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.95 -39.82 86.88 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.098 -1.001 . . . . 2.8199999999999998 109.243 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -56.59 -27.58 58.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.475 -0.765 . . . . 0.44 110.016 -179.609 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -89.31 146.99 24.34 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.054 -1.029 . . . . 1.3 109.52 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -121.61 151.92 57.72 Favored Pre-proline 0 N--CA 1.507 2.398 0 O-C-N 121.257 -0.902 . . . . 2.0699999999999998 109.4 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -43.91 153.42 0.29 Allowed 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.969 1.779 . . . . 0.47999999999999998 112.584 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -142.48 134.28 26.95 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.279 -0.888 . . . . 0.27000000000000002 110.271 179.779 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.9 m -115.55 142.33 46.86 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.677 0.751 . . . . 0.39000000000000001 109.605 179.373 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.5 t -79.69 132.82 60.26 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.403 -0.962 . . . . 0.41999999999999998 108.403 179.124 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.81 -8.34 15.68 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 121.537 1.492 . . . . 0.80000000000000004 111.953 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -96.63 -56.17 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.292 -0.88 . . . . 0.53000000000000003 110.995 -178.845 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.489 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.6 p -115.97 19.19 15.21 Favored 'General case' 0 N--CA 1.508 2.472 0 O-C-N 121.248 -0.907 . . . . 0.46999999999999997 111.274 -178.624 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 53.4 20.2 1.9 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.955 -1.09 . . . . 0.66000000000000003 111.453 178.549 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.489 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.5 141.2 55.32 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 106.66 -1.607 . . . . 0.38 106.66 177.873 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.3 t -97.42 115.87 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 120.837 -1.164 . . . . 0.41999999999999998 109.756 -179.336 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.537 ' O ' ' N ' ' A' ' 34' ' ' ALA . 38.8 mm -110.84 130.75 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 108.163 -1.051 . . . . 0.26000000000000001 108.163 179.033 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -75.78 -64.3 1.11 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.664 -1.273 . . . . 2.0499999999999998 110.662 -178.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -79.71 138.52 37.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.022 -1.049 . . . . 1.22 109.962 -179.514 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.5 p -63.01 -38.93 93.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.172 -0.955 . . . . 0.34999999999999998 109.895 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 12.2 ptp180 -51.39 -41.82 60.97 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.812 -1.18 . . . . 0.85999999999999999 109.525 -179.462 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.445 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 93.3 m-20 -67.29 -27.67 67.37 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.435 -0.791 . . . . 0.33000000000000002 110.022 179.586 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.22 -46.58 88.08 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.994 -1.066 . . . . 0.37 108.985 -179.104 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -59.95 -40.0 87.51 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 119.097 -1.041 . . . . 3.2400000000000002 108.809 179.685 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -65.91 -31.4 72.3 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.549 -0.861 . . . . 0.45000000000000001 109.779 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -65.86 -40.77 91.98 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.313 -0.867 . . . . 0.33000000000000002 109.704 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.09 -39.21 85.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.246 -0.909 . . . . 0.44 109.281 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.821 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 94.3 mt-10 -71.36 -28.71 64.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.511 -0.743 . . . . 2.0800000000000001 112.119 -178.919 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -91.69 -43.98 9.28 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.712 -1.242 . . . . 0.5 112.812 -177.671 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 20.6 mmm-85 -106.0 17.5 23.51 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 120.835 -1.165 . . . . 2.21 113.037 -177.118 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.0 m-70 -154.6 -68.54 0.13 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.138 -1.601 . . . . 0.67000000000000004 110.413 179.131 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -80.47 4.76 17.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.137 -0.977 . . . . 0.88 110.179 -179.127 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.821 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.087 -1.008 . . . . 1.0700000000000001 108.671 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.813 0 N-CA-C 109.135 -0.691 . . . . 0.93000000000000005 109.135 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -90.85 8.09 36.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.287 -0.883 . . . . 2.1000000000000001 109.777 179.57 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.612 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 23.7 m80 -82.64 -28.76 0.45 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.277 -0.889 . . . . 3.25 113.351 -177.717 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.3 Cg_exo -50.88 144.87 25.81 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.643 1.562 . . . . 1.0 112.583 -177.435 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.65 171.68 17.29 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.719 2.279 . . . . 1.3700000000000001 112.124 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.65 28.73 54.45 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.935 -1.266 . . . . 1.3 109.935 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.736 HG23 ' O ' ' A' ' 21' ' ' THR . 13.1 t -94.01 94.9 8.7 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.301 -1.117 . . . . 1.05 108.913 179.023 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -81.39 141.7 33.7 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.228 -1.027 . . . . 2.5899999999999999 108.228 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -106.38 76.04 0.39 Allowed Pre-proline 0 N--CA 1.496 1.825 0 O-C-N 121.433 -0.792 . . . . 2.3199999999999998 111.741 -178.653 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -69.62 149.08 67.31 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.047 1.832 . . . . 0.85999999999999999 109.295 177.406 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' NH1' ' HG2' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -74.31 -7.74 53.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.833 -1.167 . . . . 3.7400000000000002 109.953 -179.132 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -72.87 -0.94 14.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.222 -0.924 . . . . 0.87 111.633 -178.438 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -99.02 -28.49 13.38 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.701 -1.249 . . . . 1.0600000000000001 111.097 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -112.77 -37.56 4.83 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.163 -0.961 . . . . 0.66000000000000003 109.856 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -59.83 -39.82 86.4 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.327 -0.858 . . . . 2.8199999999999998 110.2 -178.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -56.12 -30.09 61.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.51 -0.744 . . . . 0.44 110.842 -179.362 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.534 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 78.1 mm-40 -83.11 141.91 31.64 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.082 -1.011 . . . . 1.3 110.004 -179.614 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -118.35 149.5 46.04 Favored Pre-proline 0 N--CA 1.506 2.35 0 O-C-N 121.701 -0.624 . . . . 2.0699999999999998 109.971 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -39.72 153.93 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.974 1.783 . . . . 0.47999999999999998 113.088 178.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.62 137.09 21.27 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.29 -0.882 . . . . 0.27000000000000002 110.277 179.003 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.4 m -117.22 147.94 42.06 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.418 -0.801 . . . . 0.39000000000000001 109.923 179.278 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.1 t -83.79 125.5 73.08 Favored Pre-proline 0 N--CA 1.496 1.866 0 O-C-N 121.316 -0.865 . . . . 0.41999999999999998 108.686 179.321 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -78.95 4.72 6.26 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.242 1.295 . . . . 0.80000000000000004 111.774 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mt -106.39 -50.67 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.468 -0.77 . . . . 0.53000000000000003 110.729 -178.779 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.8 p -122.31 15.5 10.53 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.27 -0.894 . . . . 0.46999999999999997 109.532 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 55.62 17.07 2.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.703 -0.623 . . . . 0.66000000000000003 111.333 179.324 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.611 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.19 139.49 52.44 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.407 -1.331 . . . . 0.38 107.407 177.726 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.12 117.0 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 120.803 -1.185 . . . . 0.41999999999999998 109.971 -179.342 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.3 mm -113.91 131.35 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 N-CA-C 107.457 -1.312 . . . . 0.26000000000000001 107.457 178.72 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -75.0 -60.03 2.47 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.695 -1.253 . . . . 2.0499999999999998 110.309 -179.027 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -78.96 133.61 36.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.989 -1.07 . . . . 1.22 111.188 -178.658 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -62.96 -35.76 81.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.451 -0.781 . . . . 0.34999999999999998 109.647 179.212 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.534 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.71 -38.91 82.94 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.711 -1.243 . . . . 0.85999999999999999 108.553 179.713 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -71.22 -22.22 62.03 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.836 -1.165 . . . . 0.33000000000000002 109.823 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.34 -46.39 90.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.948 -1.095 . . . . 0.37 108.566 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.21 -39.96 92.19 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.095 -1.003 . . . . 3.2400000000000002 108.752 179.344 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.99 -40.13 88.12 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.499 -0.926 . . . . 0.45000000000000001 108.499 178.87 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -61.18 -39.3 89.66 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.441 -0.787 . . . . 0.33000000000000002 109.434 179.323 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 58' ' ' PHE . 88.7 mt -60.01 -38.7 83.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.003 -1.061 . . . . 0.44 110.235 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.682 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -75.81 -27.95 58.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.926 -1.109 . . . . 2.0800000000000001 111.49 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.7 mt -88.48 -42.51 12.07 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.263 -1.523 . . . . 0.5 112.088 -177.413 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.433 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 18.2 mmm180 -108.83 14.26 24.37 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.828 -1.17 . . . . 2.21 112.986 -177.345 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.433 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.3 m-70 -152.7 -71.82 0.15 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 119.968 -1.707 . . . . 0.67000000000000004 110.758 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 53' ' ' LEU . 64.4 m-85 -80.7 17.54 1.13 Allowed 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.418 -0.801 . . . . 0.88 109.282 -179.438 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.486 -0.759 . . . . 1.0700000000000001 109.231 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.263 0 CA-C-O 121.148 0.499 . . . . 0.93000000000000005 110.642 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -86.5 14.68 6.4 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.453 -0.78 . . . . 2.1000000000000001 110.438 179.515 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.616 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 16.3 m-70 -81.97 -25.59 0.4 Allowed Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 120.985 -1.072 . . . . 3.25 113.557 -177.848 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 88.1 Cg_exo -50.56 136.98 41.28 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.291 1.327 . . . . 1.0 111.968 -179.041 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -79.37 178.23 7.66 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 123.258 2.639 . . . . 1.3700000000000001 111.947 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.43 30.0 63.1 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 120.029 -1.081 . . . . 1.3 110.47 179.002 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.38 93.69 9.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -1.182 . . . . 1.05 109.886 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mp0 -77.77 158.33 29.62 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.097 -1.002 . . . . 2.5899999999999999 108.628 178.917 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -108.68 65.47 0.29 Allowed Pre-proline 0 N--CA 1.502 2.131 0 O-C-N 121.304 -0.873 . . . . 2.3199999999999998 112.145 -179.122 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -45.3 132.37 11.96 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.076 1.184 . . . . 0.85999999999999999 111.782 179.361 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -63.45 -33.81 76.37 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.451 -0.781 . . . . 3.7400000000000002 110.931 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.6 m -71.56 -1.98 15.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.038 -1.039 . . . . 0.87 111.819 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -97.94 -26.43 14.65 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.654 -1.278 . . . . 1.0600000000000001 110.998 -179.073 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 p -109.71 -35.98 6.05 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.239 -1.023 . . . . 0.66000000000000003 108.239 179.032 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -60.37 -38.42 83.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.297 -0.877 . . . . 2.8199999999999998 109.297 179.104 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.0 m -50.87 -23.54 2.89 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.291 -0.881 . . . . 0.44 109.638 -179.208 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -82.51 149.83 27.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.889 -1.132 . . . . 1.3 109.748 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.437 ' O ' ' O ' ' A' ' 44' ' ' ARG . 22.9 mm100 -121.31 151.89 56.7 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 121.501 -0.749 . . . . 2.0699999999999998 109.031 179.886 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.29 151.7 42.8 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.985 1.79 . . . . 0.47999999999999998 111.06 178.86 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.68 139.67 25.39 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.092 -1.005 . . . . 0.27000000000000002 111.391 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.501 HG22 ' N ' ' A' ' 36' ' ' CYS . 68.3 m -116.22 160.69 20.07 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 109.071 -0.715 . . . . 0.39000000000000001 109.071 178.656 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.501 ' N ' HG22 ' A' ' 35' ' ' THR . 2.2 t -104.9 104.66 47.61 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.336 -0.853 . . . . 0.41999999999999998 109.063 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.84 -4.41 0.24 Allowed 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 122.079 1.853 . . . . 0.80000000000000004 113.438 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -97.01 -64.46 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.043 -1.035 . . . . 0.53000000000000003 110.02 -179.09 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 18.7 p -105.99 10.27 32.31 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.417 -0.802 . . . . 0.46999999999999997 108.952 179.533 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' CYS . 77.9 m-85 58.48 17.38 4.84 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.664 -0.647 . . . . 0.66000000000000003 110.58 179.541 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.556 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.13 139.87 45.92 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.546 -1.347 . . . . 0.38 108.02 178.872 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.61 110.71 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.147 -0.97 . . . . 0.41999999999999998 109.972 -179.372 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' ALA . 28.5 mm -108.01 130.29 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 107.739 -1.208 . . . . 0.26000000000000001 107.739 178.858 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 32' ' ' GLN . 70.9 mtt180 -73.78 -60.98 2.0 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.611 -0.836 . . . . 2.0499999999999998 110.48 -178.567 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.684 HE22 ' NH2' ' A' ' 47' ' ' ARG . 89.9 mt-30 -80.22 132.94 35.96 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.959 -1.088 . . . . 1.22 110.014 -179.36 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.3 p -63.08 -33.12 74.76 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.057 -1.027 . . . . 0.34999999999999998 109.758 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.684 ' NH2' HE22 ' A' ' 45' ' ' GLN . 27.6 ptt180 -60.27 -42.51 95.54 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.889 -1.132 . . . . 0.85999999999999999 108.758 179.297 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -64.91 -27.9 69.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.269 -0.895 . . . . 0.33000000000000002 108.941 178.588 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.33 -42.8 96.38 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.402 -1.436 . . . . 0.37 109.367 179.775 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' A' ' 50' ' ' ARG . 52.3 mtt-85 -59.96 -41.95 93.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.049 -1.032 . . . . 3.2400000000000002 109.113 -179.294 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -64.88 -34.66 78.93 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.388 -0.82 . . . . 0.45000000000000001 109.472 178.757 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -63.36 -36.64 84.39 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.276 -0.89 . . . . 0.33000000000000002 110.252 -179.6 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.12 -45.95 91.25 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.268 -0.895 . . . . 0.44 109.296 -179.818 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.914 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 86.8 mt-10 -72.06 -27.21 62.53 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.168 -0.958 . . . . 2.0800000000000001 113.073 -178.636 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.8 mt -92.82 -35.09 13.58 Favored 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.267 -1.52 . . . . 0.5 112.514 -177.448 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.55 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.1 mmm180 -109.21 20.09 18.71 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 120.612 -1.305 . . . . 2.21 112.334 -177.275 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.5 m-70 -156.09 -69.19 0.11 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.176 -1.578 . . . . 0.67000000000000004 110.835 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -78.15 -2.38 37.25 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.922 -1.112 . . . . 0.88 109.621 -179.375 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.914 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.72 0 O-C-N 121.212 -0.93 . . . . 1.0700000000000001 108.545 178.839 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 120.949 0.404 . . . . 0.93000000000000005 110.218 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -89.97 13.95 13.43 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.27 -0.894 . . . . 2.1000000000000001 109.321 178.833 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.622 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 42.1 m80 -80.45 -30.69 0.6 Allowed Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.112 -0.992 . . . . 3.25 112.394 -178.42 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 48.4 Cg_exo -57.36 146.43 82.84 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 121.89 1.726 . . . . 1.0 112.32 -179.328 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.29 178.48 7.45 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.401 2.067 . . . . 1.3700000000000001 111.945 178.779 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.3 26.86 62.85 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.516 -1.033 . . . . 1.3 110.516 178.793 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 21' ' ' THR . 9.0 t -89.28 94.74 10.02 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.014 -1.286 . . . . 1.05 109.576 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -84.27 145.01 28.53 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.207 -1.034 . . . . 2.5899999999999999 108.207 179.152 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -105.22 76.8 0.33 Allowed Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.418 -0.801 . . . . 2.3199999999999998 110.319 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.24 144.13 45.55 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.435 1.423 . . . . 0.85999999999999999 111.556 179.07 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.523 HH11 ' HG2' ' A' ' 25' ' ' ARG . 29.6 mtt-85 -69.84 -9.44 54.77 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.375 -0.828 . . . . 3.7400000000000002 109.829 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -71.23 -9.67 58.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.328 -0.858 . . . . 0.87 110.429 -179.424 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -102.8 -25.3 13.56 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.951 -1.093 . . . . 1.0600000000000001 110.206 -179.377 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 p -105.41 -33.03 8.29 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.094 -1.004 . . . . 0.66000000000000003 109.557 -179.664 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -64.31 -31.08 72.15 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.072 -1.017 . . . . 2.8199999999999998 109.418 179.663 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -58.06 -29.73 65.63 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.563 -0.711 . . . . 0.44 109.661 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.588 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 62.2 mm-40 -95.34 139.73 31.23 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.32 -0.863 . . . . 1.3 109.925 -179.246 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.501 ' NE2' ' N ' ' A' ' 32' ' ' GLN . 3.1 mp0 -114.22 152.21 45.71 Favored Pre-proline 0 N--CA 1.5 2.061 0 N-CA-C 108.378 -0.971 . . . . 2.0699999999999998 108.378 178.868 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -42.03 156.2 0.08 OUTLIER 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.4 2.066 . . . . 0.47999999999999998 112.376 179.609 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -146.04 139.63 26.21 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.065 -1.022 . . . . 0.27000000000000002 110.535 179.425 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 36' ' ' CYS . 85.0 m -117.69 158.56 24.47 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 115.926 -0.579 . . . . 0.39000000000000001 109.523 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 40' ' ' TYR . 5.9 t -104.6 103.39 39.74 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.513 -0.742 . . . . 0.41999999999999998 109.622 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.02 -4.79 0.4 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 121.816 1.677 . . . . 0.80000000000000004 113.219 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.0 mt -95.8 -50.03 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 120.884 -1.135 . . . . 0.53000000000000003 110.153 -179.025 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.4 p -123.32 14.28 9.64 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 108.602 -0.888 . . . . 0.46999999999999997 108.602 179.664 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' CYS . 80.6 m-85 53.65 15.1 0.7 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.832 -0.543 . . . . 0.66000000000000003 110.961 178.793 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.615 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -54.61 139.44 38.45 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.67 -1.233 . . . . 0.38 107.67 178.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -94.3 109.3 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.137 -0.977 . . . . 0.41999999999999998 110.915 -178.168 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 34' ' ' ALA . 47.1 mm -106.0 130.12 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 108.421 -0.955 . . . . 0.26000000000000001 108.421 178.676 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -75.2 -61.85 1.76 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.802 -1.186 . . . . 2.0499999999999998 110.92 -178.638 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -80.12 130.25 35.1 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.078 -1.014 . . . . 1.22 110.686 -179.301 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -60.77 -33.27 72.7 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.328 -0.857 . . . . 0.34999999999999998 109.678 179.792 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.588 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.96 -37.88 80.87 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.945 -1.102 . . . . 0.85999999999999999 108.509 179.61 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -69.92 -30.3 67.67 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.324 -0.86 . . . . 0.33000000000000002 109.768 178.894 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.7 tp -56.36 -46.7 79.9 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.751 -1.218 . . . . 0.37 108.807 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -58.0 -39.9 79.39 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.669 -1.234 . . . . 3.2400000000000002 107.669 179.398 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -63.85 -40.51 96.73 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.793 0.806 . . . . 0.45000000000000001 109.325 179.346 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -60.23 -38.3 83.0 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.639 -0.663 . . . . 0.33000000000000002 109.244 -179.621 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.7 -41.95 91.9 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.901 -1.125 . . . . 0.44 109.878 -179.473 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.631 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 95.3 mt-10 -75.62 -16.75 60.18 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.486 -0.759 . . . . 2.0800000000000001 112.958 -178.766 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.5 mt -95.7 -44.15 7.58 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.326 -1.484 . . . . 0.5 112.035 -177.722 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 23.3 mmm180 -108.89 16.28 22.82 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 121.099 -1.001 . . . . 2.21 111.938 -178.087 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.3 m-70 -150.67 -75.64 0.15 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.253 -1.529 . . . . 0.67000000000000004 110.133 -179.853 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -80.88 16.51 1.43 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.205 -0.934 . . . . 0.88 110.266 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.496 1.868 0 O-C-N 121.202 -0.936 . . . . 1.0700000000000001 109.936 -179.739 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.219 0.533 . . . . 0.93000000000000005 110.584 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -90.46 7.86 36.71 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.361 -0.837 . . . . 2.1000000000000001 109.184 178.29 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.597 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.5 m80 -78.76 -27.79 0.54 Allowed Pre-proline 0 N--CA 1.505 2.292 0 N-CA-C 113.69 0.996 . . . . 3.25 113.69 -177.717 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 75.6 Cg_exo -52.0 146.34 29.98 Favored 'Trans proline' 0 N--CA 1.5 1.909 0 C-N-CA 121.186 1.257 . . . . 1.0 112.114 -178.308 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.51 168.26 21.6 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.22 1.946 . . . . 1.3700000000000001 112.557 -179.353 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.45 29.15 60.35 Favored Glycine 0 N--CA 1.496 2.634 0 C-N-CA 120.235 -0.983 . . . . 1.3 111.112 178.966 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.403 ' H ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -97.07 84.15 3.48 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.914 -1.345 . . . . 1.05 109.49 179.803 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -78.26 145.84 35.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.947 -1.096 . . . . 2.5899999999999999 109.011 179.76 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -90.52 110.94 44.62 Favored Pre-proline 0 N--CA 1.499 1.994 0 O-C-N 121.121 -0.987 . . . . 2.3199999999999998 110.399 -179.502 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -84.24 140.16 8.52 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 121.66 1.574 . . . . 0.85999999999999999 111.051 178.598 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.497 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 6.5 mpt_? -70.28 -14.46 62.6 Favored 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 119.01 -1.076 . . . . 3.7400000000000002 109.123 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -69.98 -10.3 58.12 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.356 -0.84 . . . . 0.87 111.219 -179.228 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 27' ' ' ARG . 6.7 mmt-85 -99.95 -17.7 17.43 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.823 -1.173 . . . . 1.0600000000000001 110.423 -179.579 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 p -109.88 -44.12 3.87 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.069 -1.02 . . . . 0.66000000000000003 110.257 -179.795 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -61.82 -23.08 66.01 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.337 -0.852 . . . . 2.8199999999999998 109.773 -179.23 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.3 m -58.81 -39.03 79.94 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.524 -0.735 . . . . 0.44 109.942 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.578 ' CG ' HH21 ' A' ' 47' ' ' ARG . 80.5 mm-40 -96.68 148.32 22.99 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.273 -0.892 . . . . 1.3 109.661 -179.772 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -113.13 150.37 42.86 Favored Pre-proline 0 N--CA 1.503 2.191 0 N-CA-C 108.349 -0.982 . . . . 2.0699999999999998 108.349 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -39.07 154.81 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.189 0 C-N-CA 121.779 1.653 . . . . 0.47999999999999998 111.762 -179.713 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.46 139.26 28.2 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.295 -0.878 . . . . 0.27000000000000002 110.18 -179.337 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 36' ' ' CYS . 52.2 m -117.07 159.55 22.38 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 109.134 -0.691 . . . . 0.39000000000000001 109.134 178.633 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.472 ' N ' HG22 ' A' ' 35' ' ' THR . 3.8 t -101.97 106.43 47.46 Favored Pre-proline 0 N--CA 1.499 2.018 0 O-C-N 121.602 -0.686 . . . . 0.41999999999999998 109.959 179.844 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -55.57 -7.11 1.22 Allowed 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 121.715 1.61 . . . . 0.80000000000000004 113.47 179.163 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.9 mt -97.01 -51.02 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 120.741 -1.224 . . . . 0.53000000000000003 110.478 -178.36 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.4 p -123.74 22.14 9.05 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.531 -0.731 . . . . 0.46999999999999997 109.365 179.642 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 36' ' ' CYS . 80.4 m-85 48.7 17.93 0.17 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.636 -0.665 . . . . 0.66000000000000003 112.175 178.516 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.3 136.59 56.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.486 -1.383 . . . . 0.38 108.454 178.628 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.6 t -92.17 116.22 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.057 -1.027 . . . . 0.41999999999999998 110.115 -179.115 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ALA . 28.8 mm -114.05 129.79 69.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 108.036 -1.098 . . . . 0.26000000000000001 108.036 178.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -73.64 -65.09 0.87 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.956 -1.09 . . . . 2.0499999999999998 111.22 -179.448 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -79.98 137.9 36.94 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.209 -1.557 . . . . 1.22 111.417 -178.545 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.3 p -62.49 -34.2 76.39 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.454 -0.779 . . . . 0.34999999999999998 109.865 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.578 HH21 ' CG ' ' A' ' 31' ' ' GLU . 12.2 ptp180 -60.05 -38.57 83.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.991 -1.068 . . . . 0.85999999999999999 108.585 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -68.18 -31.04 70.29 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.585 -0.697 . . . . 0.33000000000000002 109.16 179.128 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.81 -42.2 92.93 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 118.884 -1.126 . . . . 0.37 108.841 -179.09 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -59.95 -41.46 91.93 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.998 -1.064 . . . . 3.2400000000000002 108.298 179.442 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -64.56 -37.18 86.67 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.469 -0.769 . . . . 0.45000000000000001 109.629 179.211 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -61.28 -40.77 95.36 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.306 -0.871 . . . . 0.33000000000000002 109.356 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.84 -40.66 89.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.383 -0.823 . . . . 0.44 110.081 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.718 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 81.0 mm-40 -74.47 -24.77 59.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.198 -0.939 . . . . 2.0800000000000001 112.262 -179.21 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.58 ' C ' ' HE ' ' A' ' 56' ' ' ARG . 94.5 mt -93.23 -41.64 9.78 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.576 -1.327 . . . . 0.5 112.333 -177.92 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.58 ' HE ' ' C ' ' A' ' 55' ' ' LEU . 4.0 mmp_? -104.25 14.26 30.65 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.729 -1.232 . . . . 2.21 111.968 -177.533 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.7 m-70 -153.59 -70.9 0.14 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 119.996 -1.69 . . . . 0.67000000000000004 111.069 179.861 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -81.96 14.79 2.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.964 -1.085 . . . . 0.88 109.511 -179.803 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.302 -1.484 0 O-C-N 121.426 -0.796 . . . . 1.0700000000000001 109.34 179.534 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 109.646 -0.502 . . . . 0.93000000000000005 109.646 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -88.01 5.27 41.65 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.878 -1.139 . . . . 2.1000000000000001 109.257 179.121 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.531 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 13.4 t-80 -78.33 -47.06 2.05 Favored Pre-proline 0 N--CA 1.499 2.016 0 O-C-N 121.41 -0.806 . . . . 3.25 111.804 -179.359 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 17' ' ' HIS . 24.9 Cg_endo -59.71 161.53 17.83 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 CA-C-N 120.503 1.215 . . . . 1.0 111.648 -179.828 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -57.34 178.11 0.18 Allowed 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.862 2.375 . . . . 1.3700000000000001 112.818 -179.079 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.64 21.33 78.84 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.907 -1.277 . . . . 1.3 109.907 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 21' ' ' THR . 9.7 t -93.0 90.65 7.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.284 -1.127 . . . . 1.05 109.658 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -80.73 138.23 36.31 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.133 -0.979 . . . . 2.5899999999999999 108.796 179.149 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -107.22 70.69 0.28 Allowed Pre-proline 0 N--CA 1.503 2.184 0 O-C-N 121.355 -0.841 . . . . 2.3199999999999998 111.008 -179.336 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.78 142.0 67.97 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 121.389 1.393 . . . . 0.85999999999999999 111.289 179.158 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -72.6 -3.12 22.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.163 -0.961 . . . . 3.7400000000000002 110.262 -179.337 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.4 m -70.07 -4.88 23.13 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.142 -0.974 . . . . 0.87 108.742 179.655 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -101.39 -26.47 13.58 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.202 -0.666 . . . . 1.0600000000000001 109.202 -178.631 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 p -108.19 -36.62 6.25 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.88 -0.785 . . . . 0.66000000000000003 108.88 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -59.87 -34.75 73.56 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.526 -0.87 . . . . 2.8199999999999998 108.839 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.402 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 9.0 m -70.82 -22.94 62.28 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.91 -1.119 . . . . 0.44 108.727 178.807 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -87.36 135.47 33.31 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.384 -0.969 . . . . 1.3 108.384 179.732 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.425 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 3.9 mp0 -113.07 152.62 45.14 Favored Pre-proline 0 N--CA 1.492 1.665 0 N-CA-C 108.319 -0.993 . . . . 2.0699999999999998 108.319 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -52.67 154.22 12.74 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 121.094 1.196 . . . . 0.47999999999999998 111.209 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -142.63 136.33 29.03 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.216 -0.927 . . . . 0.27000000000000002 110.689 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.7 m -116.63 148.75 40.69 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.388 -0.82 . . . . 0.39000000000000001 109.951 179.153 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.9 t -88.35 131.67 41.61 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.252 -0.905 . . . . 0.41999999999999998 108.954 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -79.12 -4.86 14.14 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.65 1.566 . . . . 0.80000000000000004 112.362 -179.615 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.8 mt -99.34 -54.58 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.139 -0.976 . . . . 0.53000000000000003 109.971 -179.694 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.6 p -118.68 27.68 8.76 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.471 -0.768 . . . . 0.46999999999999997 110.691 -179.256 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 42.83 15.96 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.359 -0.838 . . . . 0.66000000000000003 111.081 179.186 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.71 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.45 133.19 52.98 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 106.997 -1.483 . . . . 0.38 106.997 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.1 t -92.33 116.98 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.76 -1.212 . . . . 0.41999999999999998 110.513 -178.487 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' ALA . 27.3 mm -111.89 129.8 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 N-CA-C 107.089 -1.449 . . . . 0.26000000000000001 107.089 178.186 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.489 ' HG2' HH11 ' A' ' 44' ' ' ARG . 9.6 mtt-85 -72.31 -61.27 1.86 Allowed 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.681 -1.262 . . . . 2.0499999999999998 110.64 -178.286 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.555 ' NE2' HH21 ' A' ' 47' ' ' ARG . 89.2 mt-30 -77.98 135.89 37.88 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.265 -0.897 . . . . 1.22 110.642 -178.94 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -65.13 -38.87 92.02 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.466 -0.772 . . . . 0.34999999999999998 110.631 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.555 HH21 ' NE2' ' A' ' 45' ' ' GLN . 24.6 ptt180 -58.58 -39.38 80.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.727 -1.233 . . . . 0.85999999999999999 109.06 -179.818 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.45 -31.9 72.94 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.213 -0.929 . . . . 0.33000000000000002 109.853 179.521 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.29 -41.76 85.1 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.655 -1.278 . . . . 0.37 108.701 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -57.49 -40.04 77.75 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.513 -1.367 . . . . 3.2400000000000002 107.748 179.727 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -68.14 -35.18 77.68 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 109.467 -0.568 . . . . 0.45000000000000001 109.467 179.216 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -60.32 -37.09 79.53 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.068 -1.02 . . . . 0.33000000000000002 108.717 178.828 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.27 -46.73 89.13 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -0.869 . . . . 0.44 110.415 -179.56 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.783 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.2 mm-40 -70.26 -25.26 63.28 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.971 -1.081 . . . . 2.0800000000000001 112.511 -179.223 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.8 mt -94.01 -38.44 11.15 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.769 -1.207 . . . . 0.5 112.602 -177.956 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.52 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 19.8 mmm-85 -106.5 13.89 27.84 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 120.583 -1.323 . . . . 2.21 112.215 -177.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.52 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 93.1 m-70 -153.82 -71.68 0.13 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.287 -1.508 . . . . 0.67000000000000004 111.042 179.526 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -79.81 12.78 2.46 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.855 -1.153 . . . . 0.88 110.238 -179.15 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.783 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.496 1.868 0 O-C-N 121.193 -0.942 . . . . 1.0700000000000001 109.437 179.686 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.128 0 CA-C-O 121.172 0.51 . . . . 0.93000000000000005 111.038 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -93.83 4.65 53.61 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.418 -0.801 . . . . 2.1000000000000001 110.106 178.538 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.595 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 8.5 t-80 -81.14 -33.76 0.7 Allowed Pre-proline 0 N--CA 1.503 2.215 0 O-C-N 120.918 -1.113 . . . . 3.25 112.467 -177.862 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.6 Cg_exo -53.04 152.24 18.82 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 121.329 1.352 . . . . 1.0 111.106 -178.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -74.5 179.88 5.48 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.305 2.003 . . . . 1.3700000000000001 112.427 -178.595 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.87 29.98 58.34 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 110.237 -1.145 . . . . 1.3 110.237 179.572 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 21' ' ' THR . 14.3 t -88.17 96.58 10.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.976 -1.308 . . . . 1.05 109.057 -179.864 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -78.19 146.08 35.2 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.164 -0.96 . . . . 2.5899999999999999 109.256 -179.791 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -108.46 94.05 12.93 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 121.564 -0.71 . . . . 2.3199999999999998 110.323 179.581 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -84.48 132.58 5.08 Favored 'Trans proline' 0 N--CA 1.487 1.092 0 C-N-CA 121.887 1.724 . . . . 0.85999999999999999 110.935 179.297 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -74.64 -12.94 60.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.095 -1.003 . . . . 3.7400000000000002 109.171 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 30' ' ' SER . 70.3 m -70.93 -3.67 20.53 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.336 -0.853 . . . . 0.87 110.424 -179.323 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.415 HH21 HH22 ' A' ' 47' ' ' ARG . 14.9 mmm180 -111.66 -17.69 12.95 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.236 -0.915 . . . . 1.0600000000000001 110.758 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.6 p -104.88 -35.83 7.58 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.729 -1.232 . . . . 0.66000000000000003 109.187 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -73.47 -30.33 63.09 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.334 -0.854 . . . . 2.8199999999999998 109.509 178.791 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 26' ' ' SER . 26.7 m -56.43 -36.4 68.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.508 -0.745 . . . . 0.44 109.729 -179.456 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -92.55 139.0 31.03 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.008 -1.058 . . . . 1.3 109.116 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -112.74 150.35 42.61 Favored Pre-proline 0 N--CA 1.495 1.789 0 N-CA-C 108.167 -1.049 . . . . 2.0699999999999998 108.167 179.691 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -39.01 157.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.229 0 C-N-CA 122.08 1.854 . . . . 0.47999999999999998 112.153 -179.313 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.59 137.91 21.85 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.044 -1.035 . . . . 0.27000000000000002 110.958 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.5 m -115.42 146.59 41.46 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.413 -0.804 . . . . 0.39000000000000001 109.557 179.115 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.7 t -85.75 126.92 64.67 Favored Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.083 -1.011 . . . . 0.41999999999999998 108.488 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -77.02 -3.14 13.43 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 121.429 1.419 . . . . 0.80000000000000004 112.743 -179.174 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.5 mt -99.99 -48.06 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.085 -1.009 . . . . 0.53000000000000003 110.521 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.1 p -123.38 16.82 9.76 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.432 -0.793 . . . . 0.46999999999999997 110.297 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 54.91 17.48 1.83 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.299 -0.875 . . . . 0.66000000000000003 111.569 178.823 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.533 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.44 134.57 56.77 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.556 -1.34 . . . . 0.38 107.645 178.542 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.2 t -92.73 112.51 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.997 -1.065 . . . . 0.41999999999999998 109.834 -179.034 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.2 mm -108.14 128.23 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 107.582 -1.266 . . . . 0.26000000000000001 107.582 179.102 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.547 HH11 ' HG2' ' A' ' 44' ' ' ARG . 18.6 mtt-85 -71.22 -64.16 0.97 Allowed 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 118.661 -1.216 . . . . 2.0499999999999998 110.201 -179.065 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -77.2 140.68 40.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.13 -0.981 . . . . 1.22 110.997 -179.026 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.52 -38.43 87.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.466 -0.771 . . . . 0.34999999999999998 109.911 179.43 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.415 HH22 HH21 ' A' ' 27' ' ' ARG . 11.9 ptp180 -56.01 -41.28 74.67 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.828 -1.17 . . . . 0.85999999999999999 108.618 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.415 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 94.4 m-20 -64.55 -29.95 70.97 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.327 -0.858 . . . . 0.33000000000000002 109.853 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.8 tp -59.37 -46.33 88.96 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.985 -1.072 . . . . 0.37 109.641 -179.583 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -58.88 -40.03 83.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.907 -1.121 . . . . 3.2400000000000002 108.028 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -63.59 -39.84 95.41 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.563 0.697 . . . . 0.45000000000000001 109.275 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -60.56 -39.28 87.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.535 -0.728 . . . . 0.33000000000000002 109.972 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.2 -41.5 93.12 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.947 -1.095 . . . . 0.44 109.766 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.747 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 98.6 mt-10 -72.9 -26.15 61.32 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.205 -0.934 . . . . 2.0800000000000001 111.362 -179.349 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.0 mt -88.59 -51.53 5.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.981 -1.074 . . . . 0.5 112.775 -177.636 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.548 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 24.1 mmm180 -103.18 21.2 16.25 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 120.701 -1.249 . . . . 2.21 111.915 -177.283 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.7 m-70 -155.75 -76.29 0.1 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.188 -1.57 . . . . 0.67000000000000004 111.344 179.75 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.88 14.78 1.25 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.018 -1.051 . . . . 0.88 110.143 -178.433 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.301 -1.508 0 O-C-N 121.131 -0.981 . . . . 1.0700000000000001 108.44 179.351 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.733 0 N-CA-C 109.866 -0.42 . . . . 0.93000000000000005 109.866 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -95.6 1.82 53.88 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.28 -0.888 . . . . 2.1000000000000001 109.279 178.931 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.616 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 25.2 t-80 -81.59 -32.66 0.63 Allowed Pre-proline 0 N--CA 1.499 1.987 0 O-C-N 121.18 -0.95 . . . . 3.25 112.437 -178.363 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.4 Cg_exo -54.86 158.7 10.53 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 122.165 1.91 . . . . 1.0 111.715 -179.505 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -67.86 172.96 9.89 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.346 2.031 . . . . 1.3700000000000001 111.956 -179.434 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.62 23.11 76.1 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.734 -1.346 . . . . 1.3 109.734 -179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 21' ' ' THR . 13.8 t -89.3 94.98 10.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.137 -1.213 . . . . 1.05 108.765 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -77.66 148.77 34.86 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.142 -0.974 . . . . 2.5899999999999999 109.119 -179.625 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -107.0 77.21 0.49 Allowed Pre-proline 0 N--CA 1.499 2.001 0 O-C-N 121.432 -0.793 . . . . 2.3199999999999998 111.019 -179.26 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -71.09 134.19 24.68 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.657 1.571 . . . . 0.85999999999999999 111.438 178.847 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -72.54 -11.05 60.5 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.274 -0.891 . . . . 3.7400000000000002 110.177 -179.093 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.4 m -72.0 -3.13 21.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.1 -1.0 . . . . 0.87 109.963 -179.5 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.481 ' CG ' ' NH1' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -101.33 -26.37 13.64 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.206 -0.934 . . . . 1.0600000000000001 109.982 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 p -106.29 -32.26 8.25 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.37 -0.832 . . . . 0.66000000000000003 109.461 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -64.26 -37.24 86.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.222 -0.924 . . . . 2.8199999999999998 109.207 179.422 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -59.98 -30.43 69.11 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.535 -0.728 . . . . 0.44 109.332 -179.621 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -85.51 138.01 32.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.379 -0.826 . . . . 1.3 109.572 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -119.22 151.03 50.37 Favored Pre-proline 0 N--CA 1.504 2.24 0 O-C-N 121.515 -0.741 . . . . 2.0699999999999998 109.347 -179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -42.35 154.64 0.12 Allowed 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.893 1.729 . . . . 0.47999999999999998 112.18 179.274 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.92 136.95 23.38 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.059 -1.026 . . . . 0.27000000000000002 110.519 179.816 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.9 m -115.42 145.22 42.77 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.358 -0.839 . . . . 0.39000000000000001 109.271 178.943 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.9 t -80.4 128.74 71.71 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.527 -0.733 . . . . 0.41999999999999998 109.036 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -77.25 -2.79 13.01 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 121.372 1.382 . . . . 0.80000000000000004 111.592 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.4 mt -103.9 -56.38 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.493 -0.754 . . . . 0.53000000000000003 110.945 -179.203 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.605 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.4 p -112.81 18.47 18.19 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.281 -0.887 . . . . 0.46999999999999997 109.887 -179.253 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 50.27 17.13 0.31 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.385 -0.822 . . . . 0.66000000000000003 111.233 178.379 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.43 143.03 50.98 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.873 -1.142 . . . . 0.38 108.024 178.301 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.0 t -95.45 111.28 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.071 -1.018 . . . . 0.41999999999999998 110.425 -178.752 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 34' ' ' ALA . 26.5 mm -105.87 129.74 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 107.295 -1.372 . . . . 0.26000000000000001 107.295 178.312 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -74.28 -60.06 2.44 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 119.13 -1.028 . . . . 2.0499999999999998 110.278 -178.674 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.662 ' NE2' HH21 ' A' ' 47' ' ' ARG . 94.9 mt-30 -82.07 136.11 35.24 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.987 -1.07 . . . . 1.22 110.054 -179.759 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.3 p -66.85 -42.79 85.15 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.376 -0.827 . . . . 0.34999999999999998 110.144 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.662 HH21 ' NE2' ' A' ' 45' ' ' GLN . 21.7 ptt180 -55.14 -35.37 64.64 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.794 -1.191 . . . . 0.85999999999999999 108.827 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.498 ' CB ' HH12 ' A' ' 51' ' ' ARG . 84.5 m-20 -70.01 -29.02 65.98 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.998 -1.064 . . . . 0.33000000000000002 109.108 178.77 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.6 tp -54.95 -44.47 74.35 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 107.991 -1.115 . . . . 0.37 107.991 179.446 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 50' ' ' ARG . 17.4 ttt-85 -57.74 -40.08 78.83 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.654 -1.239 . . . . 3.2400000000000002 107.654 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.498 HH12 ' CB ' ' A' ' 48' ' ' ASN . 12.2 ttp-105 -65.31 -39.26 92.26 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.515 -0.874 . . . . 0.45000000000000001 109.534 178.712 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -60.4 -39.59 87.91 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.346 -0.847 . . . . 0.33000000000000002 109.604 -179.759 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.63 -40.7 92.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.119 -0.988 . . . . 0.44 110.353 -179.676 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.797 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 66.5 mm-40 -74.31 -24.34 59.21 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.293 -0.879 . . . . 2.0800000000000001 111.914 -178.719 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.8 mt -94.55 -43.38 8.35 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 120.695 -1.253 . . . . 0.5 112.024 -178.466 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.1 mmm180 -104.04 16.93 25.17 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.924 -1.11 . . . . 2.21 112.462 -177.807 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 96.8 m-70 -153.96 -72.99 0.13 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.003 -1.686 . . . . 0.67000000000000004 110.941 179.502 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -78.89 8.6 5.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.866 -1.146 . . . . 0.88 109.52 -179.415 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.797 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.327 -0.858 . . . . 1.0700000000000001 108.815 179.511 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.226 0.536 . . . . 0.93000000000000005 110.856 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -98.2 0.79 46.49 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.478 -0.764 . . . . 2.1000000000000001 109.069 178.708 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.639 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 26.3 t-80 -83.71 -29.11 0.44 Allowed Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.285 -0.885 . . . . 3.25 112.339 -179.129 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 50.2 Cg_exo -51.96 156.04 7.72 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 121.628 1.552 . . . . 1.0 112.125 -178.239 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.3 170.11 14.04 Favored 'Trans proline' 0 N--CA 1.507 2.275 0 C-N-CA 123.418 2.745 . . . . 1.3700000000000001 113.285 -179.315 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.86 28.58 60.57 Favored Glycine 0 N--CA 1.495 2.58 0 N-CA-C 110.153 -1.179 . . . . 1.3 110.153 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 21' ' ' THR . 7.1 t -94.45 89.71 5.95 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.204 -1.174 . . . . 1.05 109.451 179.595 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -83.31 140.63 32.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.455 -0.778 . . . . 2.5899999999999999 108.906 179.043 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -109.13 78.69 1.04 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.749 -0.594 . . . . 2.3199999999999998 109.923 179.76 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -43.1 159.11 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.906 1.737 . . . . 0.85999999999999999 112.57 179.378 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -68.97 -39.82 79.21 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.351 -0.843 . . . . 3.7400000000000002 111.449 -179.531 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -69.93 11.94 0.25 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.652 -1.28 . . . . 0.87 111.489 -178.324 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -92.95 -69.49 0.74 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.828 -1.17 . . . . 1.0600000000000001 112.204 -178.659 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.7 p -87.6 -29.41 21.26 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.94 -1.1 . . . . 0.66000000000000003 110.678 -177.872 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.11 -35.08 79.58 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.989 -1.069 . . . . 2.8199999999999998 109.052 179.035 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.6 m -60.06 -31.0 69.58 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.421 -0.799 . . . . 0.44 109.739 -179.543 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 76.5 mm-40 -68.31 140.28 55.94 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 119.657 -0.817 . . . . 1.3 109.303 -179.841 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -113.16 151.88 44.61 Favored Pre-proline 0 N--CA 1.493 1.717 0 N-CA-C 107.845 -1.168 . . . . 2.0699999999999998 107.845 -179.786 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.38 154.35 30.02 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 121.205 1.27 . . . . 0.47999999999999998 111.261 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.89 133.68 22.34 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.402 -0.811 . . . . 0.27000000000000002 109.972 -179.257 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.526 HG22 ' N ' ' A' ' 36' ' ' CYS . 90.5 m -114.33 162.07 17.08 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.758 0.789 . . . . 0.39000000000000001 109.724 -179.786 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.526 ' N ' HG22 ' A' ' 35' ' ' THR . 2.0 t -104.91 105.21 50.31 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.696 -0.627 . . . . 0.41999999999999998 109.408 -179.53 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.27 -5.2 0.35 Allowed 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.879 1.719 . . . . 0.80000000000000004 113.353 179.641 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.409 HD12 ' CD2' ' A' ' 57' ' ' HIS . 52.8 mt -96.22 -61.36 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 120.643 -1.286 . . . . 0.53000000000000003 109.872 179.813 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.8 p -110.63 17.34 20.78 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.228 -0.92 . . . . 0.46999999999999997 109.62 179.901 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 51.61 24.68 2.43 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.58 -0.7 . . . . 0.66000000000000003 110.654 179.128 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.538 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -61.12 140.44 57.89 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.638 -1.289 . . . . 0.38 107.566 178.317 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 t -95.19 110.8 24.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 121.357 -0.84 . . . . 0.41999999999999998 109.644 -179.537 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 34' ' ' ALA . 46.4 mm -108.99 129.59 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 107.898 -1.149 . . . . 0.26000000000000001 107.898 179.06 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -74.48 -58.8 3.06 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.369 -0.832 . . . . 2.0499999999999998 110.606 -178.639 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -78.71 136.12 37.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.291 -0.88 . . . . 1.22 110.338 -179.03 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 99.8 p -65.89 -38.09 87.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.959 -1.088 . . . . 0.34999999999999998 109.25 179.138 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.432 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -56.69 -39.63 74.14 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.462 -0.94 . . . . 0.85999999999999999 108.462 179.838 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 99.5 m-20 -66.08 -31.4 72.25 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.26 -0.9 . . . . 0.33000000000000002 109.966 179.371 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.2 tp -55.49 -44.84 76.91 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.716 -1.193 . . . . 0.37 108.698 -179.223 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.453 HH11 ' HG2' ' A' ' 50' ' ' ARG . 6.8 mmt-85 -59.73 -41.79 91.7 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 119.355 -0.938 . . . . 3.2400000000000002 108.542 179.363 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -63.23 -39.84 95.74 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.438 0.637 . . . . 0.45000000000000001 109.715 -179.514 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -60.56 -40.06 90.22 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.735 -0.603 . . . . 0.33000000000000002 110.15 -179.267 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.23 -39.95 94.54 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.26 -0.9 . . . . 0.44 110.256 -179.605 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.744 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 85.5 mt-10 -71.81 -25.0 61.82 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.663 -1.273 . . . . 2.0800000000000001 111.736 -179.238 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.4 mt -97.98 -36.7 10.05 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.989 -1.069 . . . . 0.5 113.113 -177.391 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.564 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 25.6 mmm180 -105.44 7.79 33.28 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 120.677 -1.264 . . . . 2.21 111.907 -177.946 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.564 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 85.3 m-70 -153.1 -67.78 0.15 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.148 -1.595 . . . . 0.67000000000000004 110.953 179.36 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -77.57 8.03 4.84 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.507 -1.371 . . . . 0.88 109.924 -179.146 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.299 -1.594 0 O-C-N 121.761 -0.587 . . . . 1.0700000000000001 110.512 179.64 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 109.597 -0.52 . . . . 0.93000000000000005 109.597 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -97.87 9.56 42.39 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.027 -1.046 . . . . 2.1000000000000001 109.707 179.663 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.614 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 6.7 t-80 -83.79 -28.49 0.42 Allowed Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 121.196 -0.94 . . . . 3.25 111.759 -178.888 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 80.3 Cg_exo -48.95 155.5 2.61 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.549 1.499 . . . . 1.0 111.829 -179.555 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.2 168.22 16.41 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.471 2.114 . . . . 1.3700000000000001 111.52 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.23 27.18 66.57 Favored Glycine 0 N--CA 1.487 2.093 0 N-CA-C 108.684 -1.767 . . . . 1.3 108.684 -179.555 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 21' ' ' THR . 4.1 t -94.24 91.36 6.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -1.09 . . . . 1.05 108.353 179.543 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -78.07 141.32 38.9 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.095 -0.706 . . . . 2.5899999999999999 109.095 179.819 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -107.67 77.24 0.6 Allowed Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.569 -0.707 . . . . 2.3199999999999998 110.223 -179.61 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -69.91 141.88 45.77 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 121.2 1.267 . . . . 0.85999999999999999 111.255 179.42 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.565 HH11 ' HG2' ' A' ' 25' ' ' ARG . 23.2 mtt-85 -74.45 -6.85 50.63 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.17 -0.957 . . . . 3.7400000000000002 110.048 -179.377 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 m -69.86 -9.26 54.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.048 -1.032 . . . . 0.87 109.988 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -100.42 -24.29 14.53 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.152 -0.968 . . . . 1.0600000000000001 109.261 -179.634 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.5 p -107.68 -31.46 8.06 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.522 -0.736 . . . . 0.66000000000000003 109.456 179.641 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -61.12 -39.89 91.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 2.8199999999999998 109.831 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 m -58.56 -26.16 63.28 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.745 0.783 . . . . 0.44 109.501 -179.472 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.578 ' CD ' HH21 ' A' ' 47' ' ' ARG . 75.7 mm-40 -87.45 137.78 32.04 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.586 -0.696 . . . . 1.3 110.431 -178.878 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.615 ' NE2' ' N ' ' A' ' 32' ' ' GLN . 2.7 mp0 -113.58 150.28 43.0 Favored Pre-proline 0 N--CA 1.501 2.093 0 N-CA-C 107.606 -1.257 . . . . 2.0699999999999998 107.606 178.331 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -50.36 157.03 3.45 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 121.171 1.247 . . . . 0.47999999999999998 111.033 -179.173 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -141.93 137.02 30.99 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.331 -0.856 . . . . 0.27000000000000002 109.171 179.736 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.3 m -117.03 142.78 46.53 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 109.084 -0.71 . . . . 0.39000000000000001 109.084 -179.777 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.9 t -82.63 129.56 62.0 Favored Pre-proline 0 C--N 1.301 -1.533 0 N-CA-C 108.735 -0.839 . . . . 0.41999999999999998 108.735 179.499 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -77.46 -4.74 14.98 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 121.949 1.766 . . . . 0.80000000000000004 112.615 -179.431 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.7 mt -100.32 -54.99 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.356 -0.84 . . . . 0.53000000000000003 110.041 -178.991 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.635 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.0 p -116.53 22.74 12.55 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.49 -0.756 . . . . 0.46999999999999997 110.829 -179.512 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 49.18 13.66 0.07 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.917 -1.114 . . . . 0.66000000000000003 111.097 178.695 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.635 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -54.39 133.36 45.42 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 106.944 -1.502 . . . . 0.38 106.944 178.601 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 t -92.44 110.09 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.203 -0.936 . . . . 0.41999999999999998 110.114 -177.804 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 34' ' ' ALA . 31.8 mm -105.19 127.9 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 107.764 -1.199 . . . . 0.26000000000000001 107.764 179.165 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.503 HH11 ' HG2' ' A' ' 44' ' ' ARG . 13.8 mtt-85 -74.52 -60.02 2.47 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.863 -1.148 . . . . 2.0499999999999998 110.241 -178.866 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -79.65 137.54 37.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.224 -0.922 . . . . 1.22 109.967 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.1 p -66.3 -33.87 76.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.34999999999999998 109.732 -179.681 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.578 HH21 ' CD ' ' A' ' 31' ' ' GLU . 10.0 ptp180 -57.52 -41.76 81.47 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.123 -0.986 . . . . 0.85999999999999999 109.62 -179.781 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.483 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.2 m-20 -68.65 -25.55 64.88 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 109.009 -0.738 . . . . 0.33000000000000002 109.009 -179.271 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.65 -49.79 76.36 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.974 -1.079 . . . . 0.37 108.624 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -57.9 -42.12 84.05 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.157 -1.423 . . . . 3.2400000000000002 107.157 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -61.68 -36.11 79.93 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.328 0.585 . . . . 0.45000000000000001 109.839 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -65.74 -39.49 91.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.178 -0.951 . . . . 0.33000000000000002 109.696 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.01 -45.05 94.04 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.101 -1.0 . . . . 0.44 110.231 -179.164 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.794 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 89.3 mt-10 -70.91 -24.33 62.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.276 -0.89 . . . . 2.0800000000000001 113.127 -178.712 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 59' ' ' ALA . 83.3 mt -99.85 -34.09 10.28 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.652 -1.28 . . . . 0.5 111.205 -178.19 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.479 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 17.3 mmm180 -104.18 6.61 35.77 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.082 -1.011 . . . . 2.21 112.644 -177.798 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 93.7 m-70 -153.1 -70.37 0.15 Allowed 'General case' 0 N--CA 1.506 2.352 0 O-C-N 119.99 -1.694 . . . . 0.67000000000000004 111.13 -179.644 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -76.83 7.44 4.74 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.848 -1.158 . . . . 0.88 109.198 -179.236 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.794 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.714 0 O-C-N 120.987 -1.071 . . . . 1.0700000000000001 109.659 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.91 0 CA-C-O 121.037 0.446 . . . . 0.93000000000000005 109.863 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -96.51 8.15 44.8 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.299 -0.875 . . . . 2.1000000000000001 109.697 179.246 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.632 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 35.7 t-80 -83.96 -31.49 0.49 Allowed Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.19 -0.944 . . . . 3.25 112.233 -178.832 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 78.3 Cg_exo -47.06 155.91 0.85 Allowed 'Trans proline' 0 N--CA 1.503 2.083 0 C-N-CA 122.909 2.406 . . . . 1.0 113.234 -179.078 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -68.09 162.93 37.93 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 123.093 2.528 . . . . 1.3700000000000001 112.743 -178.985 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.96 12.72 83.84 Favored Glycine 0 N--CA 1.484 1.865 0 N-CA-C 109.16 -1.576 . . . . 1.3 109.16 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 21' ' ' THR . 10.0 t -89.89 90.26 8.1 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.463 -1.022 . . . . 1.05 108.507 179.738 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -82.57 142.51 31.73 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.065 -1.022 . . . . 2.5899999999999999 109.132 -179.522 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -89.12 111.12 43.15 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.347 -0.846 . . . . 2.3199999999999998 109.766 -179.862 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -82.58 134.53 7.6 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.933 1.755 . . . . 0.85999999999999999 111.077 179.201 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -69.07 -18.15 63.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.134 -0.979 . . . . 3.7400000000000002 111.136 -178.729 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -71.3 -5.36 31.7 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.903 -1.123 . . . . 0.87 110.668 -178.441 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' A' ' 27' ' ' ARG . 13.3 mmt-85 -102.56 -26.24 13.3 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.046 -1.034 . . . . 1.0600000000000001 110.622 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.3 p -101.94 -39.48 7.33 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 120.96 -1.088 . . . . 0.66000000000000003 110.669 -178.826 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -63.6 -31.15 72.23 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.829 -1.169 . . . . 2.8199999999999998 109.315 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.6 m -55.89 -35.64 66.76 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.455 -0.778 . . . . 0.44 109.23 179.895 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -89.89 143.36 26.86 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.286 -0.884 . . . . 1.3 110.387 -179.38 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -117.16 154.66 50.05 Favored Pre-proline 0 N--CA 1.498 1.968 0 N-CA-C 108.112 -1.07 . . . . 2.0699999999999998 108.112 179.164 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -44.22 153.0 0.35 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.922 1.748 . . . . 0.47999999999999998 112.281 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.44 133.84 23.22 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.197 -0.939 . . . . 0.27000000000000002 110.685 -179.253 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 36' ' ' CYS . 63.7 m -114.22 162.42 16.57 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.576 -0.702 . . . . 0.39000000000000001 109.501 179.174 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.512 ' N ' HG22 ' A' ' 35' ' ' THR . 6.7 t -105.89 105.81 54.56 Favored Pre-proline 0 N--CA 1.5 2.064 0 O-C-N 121.23 -0.919 . . . . 0.41999999999999998 109.968 -179.674 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.56 -7.5 0.87 Allowed 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.223 1.949 . . . . 0.80000000000000004 113.158 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.452 HD12 ' CD2' ' A' ' 57' ' ' HIS . 53.0 mt -95.71 -63.53 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.93 -1.106 . . . . 0.53000000000000003 110.116 -178.889 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.578 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.7 p -108.0 14.37 25.29 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.157 -0.965 . . . . 0.46999999999999997 109.636 -179.892 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 55.38 19.93 3.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.495 -0.753 . . . . 0.66000000000000003 110.801 179.48 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.578 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.82 138.3 57.83 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.683 -1.261 . . . . 0.38 107.731 178.677 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.4 t -94.27 113.88 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.144 -0.972 . . . . 0.41999999999999998 109.361 -179.467 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' ALA . 24.4 mm -110.33 126.15 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 107.749 -1.204 . . . . 0.26000000000000001 107.749 179.066 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.577 HH11 ' HG2' ' A' ' 44' ' ' ARG . 6.4 mtt-85 -74.22 -60.44 2.26 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.843 -1.161 . . . . 2.0499999999999998 109.826 -179.348 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -76.97 132.3 38.94 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.856 -1.152 . . . . 1.22 109.495 179.579 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.6 p -64.58 -40.42 95.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 0.34999999999999998 110.377 -179.423 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.0 ptp180 -54.32 -42.18 69.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.74 -1.225 . . . . 0.85999999999999999 108.753 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.473 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 99.1 m-20 -60.16 -31.98 70.62 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.811 -0.756 . . . . 0.33000000000000002 109.443 179.296 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.1 tp -57.32 -44.45 84.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.007 -1.058 . . . . 0.37 108.841 -179.645 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -59.69 -39.8 85.77 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.93 -1.137 . . . . 3.2400000000000002 107.93 179.304 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -64.12 -37.55 87.86 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 109.031 -0.729 . . . . 0.45000000000000001 109.031 178.967 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -64.19 -44.59 91.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.679 -0.638 . . . . 0.33000000000000002 110.318 -179.48 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 58' ' ' PHE . 91.6 mt -55.42 -43.3 75.19 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.876 -1.14 . . . . 0.44 110.096 -179.773 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.627 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 41.3 mt-10 -71.31 -28.77 64.34 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.404 -0.81 . . . . 2.0800000000000001 111.787 -179.257 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -87.7 -40.44 14.13 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.612 -1.305 . . . . 0.5 112.412 -177.842 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.54 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 19.9 mmm180 -106.09 1.0 25.96 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.843 -1.161 . . . . 2.21 113.392 -176.691 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 72.3 m-70 -148.23 -65.18 0.25 Allowed 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.146 -1.597 . . . . 0.67000000000000004 111.41 -178.55 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' LEU . 35.1 m-85 -79.96 17.5 0.96 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.381 -0.825 . . . . 0.88 110.556 -178.547 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.298 -1.66 0 O-C-N 121.118 -0.988 . . . . 1.0700000000000001 108.756 179.783 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.183 0 CA-C-O 121.186 0.517 . . . . 0.93000000000000005 110.698 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -89.1 17.93 5.44 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.209 -0.932 . . . . 2.1000000000000001 109.086 178.475 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.61 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.3 t-80 -79.23 -29.86 0.62 Allowed Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.306 -0.871 . . . . 3.25 112.913 -177.755 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.0 Cg_exo -54.4 147.01 48.82 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.563 1.509 . . . . 1.0 112.457 -179.048 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.83 166.62 26.66 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.345 2.03 . . . . 1.3700000000000001 112.543 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.62 34.52 53.61 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.362 -1.095 . . . . 1.3 110.362 179.422 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 21' ' ' THR . 9.7 t -89.42 93.96 9.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.132 -1.216 . . . . 1.05 109.13 -179.916 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -81.3 154.32 26.61 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.248 -0.907 . . . . 2.5899999999999999 108.659 179.713 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -106.6 98.18 19.54 Favored Pre-proline 0 N--CA 1.503 2.221 0 O-C-N 121.498 -0.751 . . . . 2.3199999999999998 110.362 -179.461 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -70.67 138.66 35.42 Favored 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 120.938 1.092 . . . . 0.85999999999999999 110.996 178.33 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -67.9 -21.27 65.15 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.421 -0.8 . . . . 3.7400000000000002 109.858 179.89 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.8 m -70.65 -1.64 11.9 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.138 -0.976 . . . . 0.87 111.595 -178.933 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -104.42 -25.77 12.69 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.762 -1.212 . . . . 1.0600000000000001 109.429 -179.68 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 p -104.96 -30.86 9.53 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.446 -0.784 . . . . 0.66000000000000003 109.519 -179.868 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -59.85 -40.64 89.23 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.324 -0.86 . . . . 2.8199999999999998 109.866 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.9 m -59.59 -23.25 62.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.287 -0.883 . . . . 0.44 109.501 179.867 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -92.14 137.13 32.62 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.33 -0.856 . . . . 1.3 109.796 -179.625 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -125.93 151.47 71.39 Favored Pre-proline 0 N--CA 1.502 2.134 0 N-CA-C 108.486 -0.931 . . . . 2.0699999999999998 108.486 179.402 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -41.72 149.61 0.24 Allowed 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.317 1.345 . . . . 0.47999999999999998 112.515 -179.071 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -143.66 133.5 23.94 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.422 -0.799 . . . . 0.27000000000000002 110.522 -179.872 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.53 HG22 ' N ' ' A' ' 36' ' ' CYS . 78.5 m -111.96 161.93 15.89 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.516 -0.74 . . . . 0.39000000000000001 109.774 179.559 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.53 ' N ' HG22 ' A' ' 35' ' ' THR . 4.1 t -104.59 104.69 46.73 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 121.753 -0.592 . . . . 0.41999999999999998 109.798 179.601 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.08 -5.37 0.52 Allowed 'Trans proline' 0 N--CA 1.5 1.863 0 C-N-CA 121.873 1.715 . . . . 0.80000000000000004 113.021 179.469 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 38' ' ' ILE . 7.0 mt -96.17 -61.63 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 120.798 -1.189 . . . . 0.53000000000000003 109.808 -179.459 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 18.0 p -109.94 16.55 21.87 Favored 'General case' 0 N--CA 1.507 2.379 0 O-C-N 121.296 -0.878 . . . . 0.46999999999999997 109.221 179.292 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 53.26 17.24 0.97 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.58 -0.7 . . . . 0.66000000000000003 111.029 179.099 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.666 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.3 140.19 53.84 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.885 -1.134 . . . . 0.38 108.21 179.342 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.2 t -93.48 111.83 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.184 -0.947 . . . . 0.41999999999999998 110.19 -178.311 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 34' ' ' ALA . 23.4 mm -109.1 132.3 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 107.567 -1.272 . . . . 0.26000000000000001 107.567 178.895 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -74.36 -65.31 0.87 Allowed 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 118.84 -1.144 . . . . 2.0499999999999998 109.977 -178.899 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.67 ' NE2' HH21 ' A' ' 47' ' ' ARG . 81.8 mt-30 -78.93 139.58 38.24 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.231 -0.918 . . . . 1.22 111.042 -178.75 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.4 p -66.73 -39.96 88.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.524 -0.735 . . . . 0.34999999999999998 109.867 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.67 HH21 ' NE2' ' A' ' 45' ' ' GLN . 27.3 ptt180 -54.66 -39.29 67.89 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.031 -1.043 . . . . 0.85999999999999999 109.167 -179.785 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -70.01 -27.35 64.61 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.072 -1.017 . . . . 0.33000000000000002 109.465 179.323 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.45 -47.09 85.13 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.135 -0.978 . . . . 0.37 109.2 -179.709 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.9 ttm-85 -59.89 -40.2 87.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.513 -1.367 . . . . 3.2400000000000002 107.894 179.184 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -63.01 -37.15 86.02 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.551 -0.718 . . . . 0.45000000000000001 109.625 179.645 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -61.64 -38.28 87.13 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.495 -0.753 . . . . 0.33000000000000002 109.515 179.614 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.78 -44.14 94.03 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.303 -0.873 . . . . 0.44 110.334 -179.589 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.681 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 94.4 mt-10 -75.18 -20.46 59.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.275 -0.891 . . . . 2.0800000000000001 112.172 -178.614 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -97.41 -39.42 9.19 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.795 -1.191 . . . . 0.5 111.48 -179.165 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -105.66 12.52 31.0 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.085 -1.009 . . . . 2.21 112.415 -177.361 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -151.03 -71.94 0.17 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.247 -1.533 . . . . 0.67000000000000004 111.429 179.821 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -79.94 10.76 3.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.194 -0.941 . . . . 0.88 109.585 -178.317 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.497 -0.752 . . . . 1.0700000000000001 109.238 179.508 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.989 0 CA-C-O 120.946 0.403 . . . . 0.93000000000000005 110.589 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -95.36 1.66 54.37 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.548 -0.72 . . . . 2.1000000000000001 109.58 178.008 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.632 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 89.4 m-70 -81.99 -28.15 0.45 Allowed Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.336 -0.852 . . . . 3.25 112.542 -178.303 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 75.9 Cg_exo -51.78 151.82 14.47 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 121.887 1.725 . . . . 1.0 113.024 -178.912 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -70.6 166.25 29.25 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.949 2.433 . . . . 1.3700000000000001 112.464 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.62 35.2 59.3 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 110.032 -1.227 . . . . 1.3 110.032 -179.795 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 21' ' ' THR . 9.8 t -92.08 89.71 7.06 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.107 -1.231 . . . . 1.05 108.491 179.803 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -81.39 140.1 34.9 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.091 -1.005 . . . . 2.5899999999999999 109.617 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -105.06 72.24 0.22 Allowed Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 121.377 -0.827 . . . . 2.3199999999999998 110.544 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.06 145.02 59.85 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.048 1.832 . . . . 0.85999999999999999 111.925 179.587 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.505 HH11 ' HG2' ' A' ' 25' ' ' ARG . 11.5 mmt-85 -72.99 -3.51 26.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.974 -1.079 . . . . 3.7400000000000002 109.668 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -71.04 -13.41 61.98 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.684 -1.26 . . . . 0.87 109.822 -179.501 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.46 HH11 ' HG2' ' A' ' 27' ' ' ARG . 7.4 mmt-85 -98.52 -20.94 16.78 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.269 -0.894 . . . . 1.0600000000000001 110.324 179.563 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.0 p -109.42 -38.15 5.54 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.242 -0.911 . . . . 0.66000000000000003 109.601 -179.649 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -59.04 -38.05 78.44 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.872 -1.143 . . . . 2.8199999999999998 109.337 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 m -59.11 -28.26 66.36 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.114 -0.991 . . . . 0.44 109.051 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -88.57 136.03 33.2 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.389 -0.819 . . . . 1.3 108.813 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -116.46 150.93 46.32 Favored Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 109.113 -0.699 . . . . 2.0699999999999998 109.113 -179.369 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -40.09 155.13 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.074 1.849 . . . . 0.47999999999999998 112.473 -179.703 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.532 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -147.87 135.42 20.77 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.124 -0.985 . . . . 0.27000000000000002 111.483 -178.793 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.3 m -117.42 145.45 44.11 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-O 121.682 0.753 . . . . 0.39000000000000001 110.091 179.174 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.0 t -85.83 122.3 72.96 Favored Pre-proline 0 N--CA 1.493 1.676 0 N-CA-C 108.36 -0.978 . . . . 0.41999999999999998 108.36 178.974 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -77.83 1.73 8.58 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.586 1.524 . . . . 0.80000000000000004 111.653 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.4 mt -99.26 -51.76 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.454 -0.779 . . . . 0.53000000000000003 109.813 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.5 p -121.73 14.85 10.96 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.43 -0.794 . . . . 0.46999999999999997 109.934 -179.749 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 56.15 15.79 2.0 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.526 -0.734 . . . . 0.66000000000000003 111.143 179.092 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.633 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.14 134.87 56.86 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.321 -1.363 . . . . 0.38 107.321 177.872 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.7 t -95.58 114.45 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 120.693 -1.254 . . . . 0.41999999999999998 110.526 -179.325 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.7 mm -110.53 134.65 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 106.606 -1.627 . . . . 0.26000000000000001 106.606 177.817 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -74.9 -59.68 2.63 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 120.482 -1.386 . . . . 2.0499999999999998 111.57 -177.567 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.564 ' OE1' ' NH1' ' A' ' 47' ' ' ARG . 82.6 mt-30 -79.91 137.75 36.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.387 -0.821 . . . . 1.22 110.723 -178.385 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.5 p -65.95 -39.45 90.45 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.293 -0.879 . . . . 0.34999999999999998 110.535 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.714 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -61.91 -36.54 81.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.208 -1.557 . . . . 0.85999999999999999 108.809 179.21 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.465 ' ND2' HH12 ' A' ' 47' ' ' ARG . 98.6 m-20 -66.23 -31.66 72.62 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.034 -1.041 . . . . 0.33000000000000002 108.679 178.612 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.532 HD22 ' HB1' ' A' ' 34' ' ' ALA . 61.8 tp -60.02 -40.3 88.83 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.153 -0.967 . . . . 0.37 109.76 -179.628 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' A' ' 50' ' ' ARG . 8.3 mtt-85 -59.14 -40.7 86.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.989 -1.069 . . . . 3.2400000000000002 108.167 -179.649 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -60.55 -40.26 90.92 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.445 0.641 . . . . 0.45000000000000001 109.842 179.528 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -61.83 -34.91 76.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.472 -0.768 . . . . 0.33000000000000002 109.517 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.35 -45.04 94.87 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.959 -1.088 . . . . 0.44 109.489 179.766 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.789 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 46.6 mt-10 -77.17 -16.14 59.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.855 -1.153 . . . . 2.0800000000000001 112.839 -178.168 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.8 mt -99.28 -40.88 7.71 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.333 -1.48 . . . . 0.5 111.679 -178.641 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' HG3' HH11 ' A' ' 56' ' ' ARG . 20.5 mmm-85 -105.06 15.44 27.6 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.986 -1.071 . . . . 2.21 112.231 -178.327 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.407 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.9 m-70 -150.68 -73.68 0.16 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.398 -1.439 . . . . 0.67000000000000004 111.212 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -80.23 8.84 6.55 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.756 -1.215 . . . . 0.88 110.094 -178.768 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.789 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.218 -0.926 . . . . 1.0700000000000001 110.372 -179.326 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 120.977 0.418 . . . . 0.93000000000000005 110.344 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -91.59 12.84 19.67 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.41 -0.806 . . . . 2.1000000000000001 109.204 178.662 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 64.4 t-80 -77.04 -31.83 0.92 Allowed Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.156 -0.965 . . . . 3.25 111.765 -178.869 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 32.5 Cg_exo -57.19 151.29 52.3 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 121.698 1.598 . . . . 1.0 112.113 -178.969 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.07 177.99 7.09 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.514 2.143 . . . . 1.3700000000000001 112.654 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.33 22.75 67.05 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.56 -1.016 . . . . 1.3 110.56 179.269 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -92.53 83.62 4.96 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.82 -1.4 . . . . 1.05 109.675 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.3 mp0 -83.02 167.7 17.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.458 -0.776 . . . . 2.5899999999999999 109.023 179.375 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -105.26 73.17 0.24 Allowed Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 121.145 -0.972 . . . . 2.3199999999999998 110.259 179.561 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -72.51 134.13 21.89 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.744 1.63 . . . . 0.85999999999999999 111.522 179.298 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' A' ' 25' ' ' ARG . 33.5 mtt-85 -72.8 -9.52 58.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.197 -0.94 . . . . 3.7400000000000002 109.518 -179.957 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.1 m -68.94 -4.72 17.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.945 -1.097 . . . . 0.87 109.907 -179.873 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -106.96 -29.93 9.15 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.286 -0.884 . . . . 1.0600000000000001 108.859 179.674 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.5 p -101.32 -29.98 11.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.37 -0.831 . . . . 0.66000000000000003 109.375 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.85 -38.78 89.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.929 -1.107 . . . . 2.8199999999999998 108.669 179.356 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.1 m -59.71 -28.02 66.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.397 -0.815 . . . . 0.44 109.619 179.279 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.533 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 79.7 mm-40 -92.78 134.29 35.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.072 -1.017 . . . . 1.3 109.921 -178.983 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -114.6 155.91 45.44 Favored Pre-proline 0 N--CA 1.501 2.106 0 N-CA-C 109.382 -0.599 . . . . 2.0699999999999998 109.382 -179.5 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -49.01 150.84 6.37 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 C-N-CA 121.708 1.605 . . . . 0.47999999999999998 111.777 179.475 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -142.46 135.1 28.11 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.228 -0.92 . . . . 0.27000000000000002 110.133 -179.508 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.7 m -114.87 138.21 51.06 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.489 -0.757 . . . . 0.39000000000000001 109.922 179.728 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.78 133.02 73.66 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.406 -0.809 . . . . 0.41999999999999998 109.051 179.132 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -78.72 -7.85 15.71 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 121.525 1.483 . . . . 0.80000000000000004 112.735 179.721 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.6 mt -99.06 -54.7 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.087 -1.008 . . . . 0.53000000000000003 111.107 -178.928 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.2 p -115.95 21.65 13.62 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.285 -0.885 . . . . 0.46999999999999997 110.44 -179.386 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 48.61 18.89 0.2 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.272 -0.892 . . . . 0.66000000000000003 112.136 178.522 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.491 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.18 132.77 54.56 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 107.544 -1.28 . . . . 0.38 107.544 178.336 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.18 112.2 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.995 -1.066 . . . . 0.41999999999999998 109.573 -179.154 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 34' ' ' ALA . 9.4 mm -109.96 129.58 64.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 107.971 -1.122 . . . . 0.26000000000000001 107.971 179.209 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' A' ' 44' ' ' ARG . 37.9 mtt-85 -72.66 -57.66 3.95 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.305 -0.872 . . . . 2.0499999999999998 111.248 -178.642 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -79.84 131.42 35.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.057 -1.027 . . . . 1.22 111.065 -179.077 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.6 p -64.76 -34.49 78.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.453 -0.78 . . . . 0.34999999999999998 109.309 179.187 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.533 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -60.84 -30.68 70.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.771 -1.206 . . . . 0.85999999999999999 107.948 178.762 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -77.47 -25.18 50.27 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.673 -0.862 . . . . 0.33000000000000002 108.673 179.299 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.07 -51.99 67.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.249 -0.907 . . . . 0.37 109.199 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -61.35 -37.67 84.17 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.572 -1.33 . . . . 3.2400000000000002 108.469 179.518 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -61.46 -39.56 91.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.232 -0.918 . . . . 0.45000000000000001 109.014 178.94 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -60.44 -38.37 83.92 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.571 -0.705 . . . . 0.33000000000000002 109.656 179.582 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.2 mt -58.48 -41.0 84.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.142 -0.974 . . . . 0.44 110.107 -179.942 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.685 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 72.0 mm-40 -74.3 -17.09 60.9 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.057 -1.027 . . . . 2.0800000000000001 111.641 -179.232 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.7 mt -100.63 -39.51 7.84 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.793 -1.192 . . . . 0.5 112.48 -178.32 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.531 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.1 mmm-85 -109.52 14.65 23.41 Favored 'General case' 0 N--CA 1.51 2.53 0 O-C-N 120.878 -1.139 . . . . 2.21 112.349 -177.423 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 93.7 m-70 -154.63 -69.74 0.13 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.304 -1.498 . . . . 0.67000000000000004 110.378 -179.835 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -81.66 11.25 4.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.407 -0.808 . . . . 0.88 110.116 -179.56 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.367 -0.833 . . . . 1.0700000000000001 110.267 -179.457 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 121.021 0.439 . . . . 0.93000000000000005 110.532 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -91.99 9.86 31.41 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.29 -0.882 . . . . 2.1000000000000001 109.255 178.441 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.62 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.7 t60 -81.98 -27.95 0.45 Allowed Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.131 -0.981 . . . . 3.25 113.214 -177.475 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 70.1 Cg_exo -52.17 148.99 22.99 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.665 1.577 . . . . 1.0 111.979 -179.165 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.15 166.76 27.22 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.019 1.812 . . . . 1.3700000000000001 112.574 -179.512 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.91 30.49 63.41 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 109.352 -1.499 . . . . 1.3 109.352 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 21' ' ' THR . 9.8 t -85.96 98.95 11.1 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.028 -1.278 . . . . 1.05 108.907 -179.854 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -81.91 148.95 28.48 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.771 -0.825 . . . . 2.5899999999999999 108.771 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -101.32 85.97 0.68 Allowed Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 121.136 -0.978 . . . . 2.3199999999999998 109.557 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.96 136.79 58.76 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.339 1.36 . . . . 0.85999999999999999 111.876 -179.182 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -75.16 -11.24 60.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.7 -0.625 . . . . 3.7400000000000002 111.897 -178.486 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -69.64 -4.55 19.89 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.23 -1.544 . . . . 0.87 109.251 -179.467 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -97.65 -21.89 16.77 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.472 -0.767 . . . . 1.0600000000000001 109.994 -179.274 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.5 p -109.15 -33.6 6.83 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.139 -0.976 . . . . 0.66000000000000003 110.255 -179.435 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -66.91 -30.91 71.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.854 -1.154 . . . . 2.8199999999999998 108.715 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.4 m -67.14 -28.65 68.31 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.143 -0.973 . . . . 0.44 108.536 178.855 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.526 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 64.5 mm-40 -95.68 139.96 31.17 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.367 -0.833 . . . . 1.3 109.533 179.555 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -119.81 154.09 54.96 Favored Pre-proline 0 N--CA 1.498 1.935 0 N-CA-C 107.863 -1.162 . . . . 2.0699999999999998 107.863 178.843 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -43.67 154.31 0.22 Allowed 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 121.713 1.609 . . . . 0.47999999999999998 112.253 -179.715 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.03 142.48 29.8 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.247 -0.908 . . . . 0.27000000000000002 110.299 179.694 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.7 m -117.42 149.32 40.74 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.548 -0.72 . . . . 0.39000000000000001 109.645 179.361 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.6 t -86.47 129.88 51.47 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 121.225 -0.922 . . . . 0.41999999999999998 108.644 178.909 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.23 -3.81 13.74 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.82 1.68 . . . . 0.80000000000000004 112.477 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.7 mt -101.31 -55.14 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.337 -0.852 . . . . 0.53000000000000003 110.033 -179.627 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.1 p -118.06 26.06 9.91 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.392 -0.818 . . . . 0.46999999999999997 110.579 -179.297 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 45.17 18.55 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.149 -0.969 . . . . 0.66000000000000003 112.132 178.709 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.554 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.49 137.11 53.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.586 -1.321 . . . . 0.38 107.71 178.185 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -92.75 112.43 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.752 -1.218 . . . . 0.41999999999999998 109.217 -179.2 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.1 mm -109.23 127.52 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.892 -1.151 . . . . 0.26000000000000001 107.892 179.268 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.447 HH11 ' HG2' ' A' ' 44' ' ' ARG . 24.9 mtt-85 -71.93 -59.77 2.58 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.952 -1.092 . . . . 2.0499999999999998 110.652 -179.116 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -79.79 137.81 37.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.907 -1.12 . . . . 1.22 110.67 -179.45 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 p -67.57 -32.28 72.93 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.516 -0.74 . . . . 0.34999999999999998 109.999 179.589 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.526 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -63.34 -31.81 73.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.773 -1.205 . . . . 0.85999999999999999 108.94 179.778 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -79.56 -14.16 59.04 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.97 -1.081 . . . . 0.33000000000000002 108.173 179.174 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.6 tp -68.1 -53.25 26.84 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.121 -0.987 . . . . 0.37 108.668 179.183 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -61.78 -36.88 82.36 Favored 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 118.766 -1.174 . . . . 3.2400000000000002 108.157 179.802 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -62.63 -40.11 95.95 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.431 -0.951 . . . . 0.45000000000000001 108.431 178.152 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -59.95 -36.98 78.23 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.531 -0.914 . . . . 0.33000000000000002 108.531 179.544 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.68 -44.64 96.27 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.034 -1.042 . . . . 0.44 109.449 178.888 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.748 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 85.4 mt-10 -73.7 -22.68 59.84 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.096 -1.003 . . . . 2.0800000000000001 111.922 -179.291 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.2 mt -95.27 -40.58 9.48 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.938 -1.101 . . . . 0.5 112.027 -178.172 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.6 mmm-85 -108.44 17.23 22.32 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 120.714 -1.242 . . . . 2.21 111.815 -178.055 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.8 m-70 -153.42 -75.13 0.12 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.27 -1.519 . . . . 0.67000000000000004 110.627 179.058 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -77.97 12.64 1.69 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.023 -1.048 . . . . 0.88 109.572 -179.568 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.496 1.837 0 O-C-N 121.296 -0.877 . . . . 1.0700000000000001 110.029 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.496 0.665 . . . . 0.93000000000000005 109.949 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -90.78 13.77 15.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.302 -0.874 . . . . 2.1000000000000001 109.543 179.248 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.402 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -78.08 -49.33 1.96 Allowed Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 120.881 -1.137 . . . . 3.25 110.432 -178.954 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 83.1 Cg_exo -46.44 155.82 0.67 Allowed 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.755 1.637 . . . . 1.0 111.55 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -67.83 177.69 4.01 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 121.893 1.729 . . . . 1.3700000000000001 112.315 -178.947 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.06 20.16 76.19 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.812 -1.315 . . . . 1.3 109.812 -179.71 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.59 84.66 5.53 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.185 -1.185 . . . . 1.05 108.741 179.471 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -78.52 148.4 33.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.424 -0.798 . . . . 2.5899999999999999 109.984 -179.514 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -105.52 75.11 0.3 Allowed Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 121.46 -0.775 . . . . 2.3199999999999998 110.488 -179.244 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -63.47 138.62 66.34 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.089 1.193 . . . . 0.85999999999999999 111.123 179.552 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -72.66 -7.52 50.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.282 -0.886 . . . . 3.7400000000000002 110.237 -179.109 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.8 m -71.24 -6.28 38.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.755 -1.216 . . . . 0.87 109.747 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -103.81 -26.69 12.61 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.108 -0.995 . . . . 1.0600000000000001 110.611 -178.516 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.0 p -99.2 -34.39 10.37 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.896 -1.127 . . . . 0.66000000000000003 110.265 -179.312 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -63.77 -30.67 71.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.057 -1.027 . . . . 2.8199999999999998 109.709 179.47 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -56.86 -32.9 66.28 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.093 -1.004 . . . . 0.44 109.7 179.674 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' A' ' 47' ' ' ARG . 58.0 mm-40 -95.63 145.12 25.5 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.043 -1.035 . . . . 1.3 110.418 -179.571 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -112.82 150.41 42.75 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 107.052 -1.462 . . . . 2.0699999999999998 107.052 178.735 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -44.19 153.0 0.35 Allowed 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.16 1.24 . . . . 0.47999999999999998 111.583 -179.159 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.5 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -145.45 133.68 21.67 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.211 -0.931 . . . . 0.27000000000000002 110.984 -179.15 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 36' ' ' CYS . 88.7 m -113.45 161.51 17.24 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.505 0.669 . . . . 0.39000000000000001 109.926 179.557 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.529 ' N ' HG22 ' A' ' 35' ' ' THR . 5.1 t -105.12 104.55 47.68 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.56 -0.712 . . . . 0.41999999999999998 110.365 -179.857 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.77 -3.67 0.47 Allowed 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.09 1.86 . . . . 0.80000000000000004 113.534 179.099 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.8 mt -97.02 -53.01 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.184 0 O-C-N 120.727 -1.233 . . . . 0.53000000000000003 110.238 -179.038 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.5 p -120.67 14.35 11.76 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.391 -0.818 . . . . 0.46999999999999997 108.844 179.58 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 36' ' ' CYS . 95.5 m-85 54.43 20.72 2.89 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.649 -0.657 . . . . 0.66000000000000003 111.017 179.198 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.54 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.9 135.91 57.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.55 -1.344 . . . . 0.38 107.551 178.564 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.2 t -93.99 111.74 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.96 -1.087 . . . . 0.41999999999999998 109.824 -178.71 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.5 mm -112.15 120.26 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 N-CA-C 108.053 -1.092 . . . . 0.26000000000000001 108.053 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -67.83 -51.46 48.29 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.901 -1.124 . . . . 2.0499999999999998 111.326 -178.463 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -82.03 132.52 35.26 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.012 -1.055 . . . . 1.22 110.778 -179.463 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.3 p -62.28 -39.51 93.19 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.511 -0.743 . . . . 0.34999999999999998 109.31 179.053 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.539 ' NH2' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.8 -39.69 85.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.177 -0.952 . . . . 0.85999999999999999 109.311 179.994 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.44 -31.81 73.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.777 -1.202 . . . . 0.33000000000000002 109.313 179.041 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD22 ' HB1' ' A' ' 34' ' ' ALA . 62.6 tp -59.97 -40.84 90.45 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.825 -1.172 . . . . 0.37 109.195 -179.8 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.92 -44.39 94.35 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.997 -1.112 . . . . 3.2400000000000002 107.997 179.43 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -63.93 -36.79 85.12 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.563 -0.711 . . . . 0.45000000000000001 109.864 179.111 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -61.34 -42.11 98.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.335 -0.853 . . . . 0.33000000000000002 109.601 -179.797 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.24 -43.54 96.01 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.363 -0.836 . . . . 0.44 111.254 -179.642 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.677 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 77.6 mm-40 -71.45 -25.76 62.44 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.074 -1.016 . . . . 2.0800000000000001 112.397 -178.189 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.5 mt -98.17 -31.42 12.11 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.82 -1.175 . . . . 0.5 111.949 -177.781 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.558 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 3.3 mmp_? -105.3 0.31 26.97 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.014 -1.054 . . . . 2.21 112.566 -177.602 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.558 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 77.6 m-70 -149.66 -68.31 0.21 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.271 -1.518 . . . . 0.67000000000000004 111.146 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -76.28 10.13 2.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.027 -1.046 . . . . 0.88 109.455 -178.962 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 107.707 -1.22 . . . . 1.0700000000000001 107.707 178.852 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 121.433 0.635 . . . . 0.93000000000000005 109.833 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -96.86 7.49 46.5 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.544 -0.91 . . . . 2.1000000000000001 108.544 178.852 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.515 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 4.6 m-70 -81.4 -42.0 1.1 Allowed Pre-proline 0 N--CA 1.499 1.977 0 O-C-N 121.425 -0.797 . . . . 3.25 111.245 -178.265 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 88.7 Cg_exo -52.31 151.34 17.84 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 121.969 1.779 . . . . 1.0 113.432 -179.306 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -81.49 -178.97 4.58 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 123.043 2.496 . . . . 1.3700000000000001 111.781 179.203 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.01 15.59 80.93 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 110.042 -1.223 . . . . 1.3 110.042 178.983 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 21' ' ' THR . 5.1 t -92.53 88.97 6.54 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.978 -1.307 . . . . 1.05 109.933 179.911 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -78.73 144.66 35.03 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.935 -1.103 . . . . 2.5899999999999999 108.394 178.27 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -97.52 108.68 46.59 Favored Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 121.183 -0.948 . . . . 2.3199999999999998 110.075 -179.616 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -85.79 148.11 9.59 Favored 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 122.309 2.006 . . . . 0.85999999999999999 112.396 179.534 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -68.54 -18.58 64.39 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.507 -0.746 . . . . 3.7400000000000002 109.736 179.67 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -68.63 -6.8 27.91 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.219 -0.926 . . . . 0.87 111.065 -179.424 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 27' ' ' ARG . 15.0 mmt-85 -105.89 -22.69 12.86 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.994 -1.066 . . . . 1.0600000000000001 110.083 -179.339 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 p -108.77 -35.32 6.43 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.467 -0.771 . . . . 0.66000000000000003 109.056 179.145 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -64.22 -37.02 85.96 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.563 0.697 . . . . 2.8199999999999998 109.891 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.1 m -57.31 -28.95 63.52 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.215 -0.928 . . . . 0.44 110.168 -179.296 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -93.51 144.46 25.34 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.653 -1.279 . . . . 1.3 109.66 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -117.81 152.52 50.09 Favored Pre-proline 0 N--CA 1.502 2.146 0 N-CA-C 108.021 -1.103 . . . . 2.0699999999999998 108.021 179.296 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -42.21 153.55 0.13 Allowed 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.198 1.932 . . . . 0.47999999999999998 112.906 -179.279 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.497 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -144.68 132.51 21.26 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.235 -0.916 . . . . 0.27000000000000002 110.442 179.737 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.9 m -113.77 152.02 31.18 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.35 -0.843 . . . . 0.39000000000000001 109.938 179.747 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.5 t -91.12 129.37 43.98 Favored Pre-proline 0 N--CA 1.489 1.495 0 N-CA-C 109.508 -0.553 . . . . 0.41999999999999998 109.508 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -80.03 0.17 10.22 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 121.878 1.719 . . . . 0.80000000000000004 112.722 -179.771 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.5 mt -102.81 -48.78 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.233 -0.917 . . . . 0.53000000000000003 110.026 -179.576 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.2 p -122.55 14.23 10.21 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.341 -0.849 . . . . 0.46999999999999997 110.388 -179.626 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 56.83 18.11 3.63 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.979 -1.076 . . . . 0.66000000000000003 111.061 179.392 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.612 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.93 137.09 57.06 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.5 -1.296 . . . . 0.38 107.5 178.655 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -98.15 110.11 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.366 -0.834 . . . . 0.41999999999999998 109.664 -178.981 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.5 mm -109.27 129.88 63.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 N-CA-C 106.97 -1.493 . . . . 0.26000000000000001 106.97 179.049 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -74.12 -59.69 2.61 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 119.142 -1.023 . . . . 2.0499999999999998 110.287 -178.485 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -77.59 131.99 38.08 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.027 -1.045 . . . . 1.22 110.187 -179.084 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.4 p -62.63 -40.0 95.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.595 -0.691 . . . . 0.34999999999999998 110.369 179.878 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.0 ptp180 -54.75 -42.38 71.59 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.001 -1.062 . . . . 0.85999999999999999 108.622 -179.011 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.493 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.3 m-20 -66.27 -28.76 68.95 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.727 -0.608 . . . . 0.33000000000000002 109.955 -179.835 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.497 HD22 ' HB1' ' A' ' 34' ' ' ALA . 52.0 tp -60.22 -44.76 94.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.912 -1.118 . . . . 0.37 109.018 -179.032 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -60.32 -39.87 88.59 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.193 -0.942 . . . . 3.2400000000000002 108.513 179.398 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -63.92 -36.63 84.58 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.741 -0.837 . . . . 0.45000000000000001 108.741 179.356 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -63.86 -30.54 71.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.773 -0.579 . . . . 0.33000000000000002 109.82 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 58' ' ' PHE . 88.7 mt -68.39 -40.22 81.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.201 -0.937 . . . . 0.44 109.53 -179.843 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.694 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 88.1 mt-10 -76.83 -17.34 59.06 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.277 -0.89 . . . . 2.0800000000000001 111.442 -178.737 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.1 mt -96.44 -40.53 9.04 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.19 -1.569 . . . . 0.5 111.558 -179.389 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.578 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.0 mmm180 -108.02 9.66 28.44 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.15 -0.969 . . . . 2.21 112.818 -177.119 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 82.5 m-70 -153.73 -69.77 0.14 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.142 -1.599 . . . . 0.67000000000000004 110.587 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 53' ' ' LEU . 49.5 m-85 -78.6 14.25 1.36 Allowed 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.076 -1.015 . . . . 0.88 109.103 -179.26 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.295 -1.771 0 N-CA-C 108.824 -0.806 . . . . 1.0700000000000001 108.824 179.19 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.318 0.58 . . . . 0.93000000000000005 110.638 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -91.78 10.29 29.07 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.435 -0.95 . . . . 2.1000000000000001 108.435 178.716 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.595 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -78.85 -30.67 0.68 Allowed Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.25 -0.906 . . . . 3.25 113.017 -177.622 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 82.1 Cg_exo -48.44 141.66 18.93 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 121.781 1.654 . . . . 1.0 113.031 -178.316 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -76.39 168.51 23.71 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 122.741 2.294 . . . . 1.3700000000000001 112.85 -179.668 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.95 35.09 51.17 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.728 -1.349 . . . . 1.3 109.728 179.607 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.27 91.09 7.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -1.162 . . . . 1.05 109.784 -179.542 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -76.87 149.9 36.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.963 -1.086 . . . . 2.5899999999999999 109.363 179.839 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -107.15 87.2 2.93 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.672 -0.643 . . . . 2.3199999999999998 111.017 -178.765 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.92 137.69 15.96 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 121.31 1.34 . . . . 0.85999999999999999 110.404 178.304 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.457 HH11 ' HG2' ' A' ' 25' ' ' ARG . 16.9 mmt-85 -71.55 -7.82 50.05 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.133 -0.979 . . . . 3.7400000000000002 109.899 -178.696 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.9 m -72.03 -5.45 35.18 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.121 -0.987 . . . . 0.87 109.937 -179.885 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.514 HH11 ' HG2' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -99.63 -24.75 14.63 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.129 -0.982 . . . . 1.0600000000000001 110.216 -179.937 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.0 p -105.76 -38.21 6.46 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.023 -1.048 . . . . 0.66000000000000003 110.471 -179.076 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -68.76 -26.82 65.42 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.05 -1.031 . . . . 2.8199999999999998 109.828 -179.789 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -58.25 -36.11 72.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.36 -0.837 . . . . 0.44 109.665 -179.281 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.614 ' CG ' HH21 ' A' ' 47' ' ' ARG . 80.0 mm-40 -83.79 149.4 26.44 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.278 -0.889 . . . . 1.3 109.093 179.459 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -113.85 153.06 46.11 Favored Pre-proline 0 N--CA 1.502 2.129 0 N-CA-C 108.527 -0.916 . . . . 2.0699999999999998 108.527 179.657 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -49.79 153.9 5.4 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.646 1.564 . . . . 0.47999999999999998 111.174 179.908 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.5 136.92 23.86 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.015 -1.053 . . . . 0.27000000000000002 111.061 -178.741 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.8 m -115.93 139.84 49.83 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.696 0.76 . . . . 0.39000000000000001 109.894 178.862 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.5 t -76.31 132.86 72.29 Favored Pre-proline 0 C--N 1.302 -1.487 0 N-CA-C 108.983 -0.747 . . . . 0.41999999999999998 108.983 179.511 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -79.58 -7.32 14.72 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.322 1.348 . . . . 0.80000000000000004 112.318 179.772 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.9 mt -99.15 -53.7 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 O-C-N 121.26 -0.9 . . . . 0.53000000000000003 111.431 -179.11 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 19.0 p -114.21 15.13 18.23 Favored 'General case' 0 N--CA 1.51 2.538 0 O-C-N 121.092 -1.005 . . . . 0.46999999999999997 110.02 -179.295 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 53.29 19.68 1.64 Allowed 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.348 -0.845 . . . . 0.66000000000000003 110.13 179.639 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.667 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.42 137.75 57.89 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.578 -1.638 . . . . 0.38 106.578 177.713 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.2 t -93.9 115.0 31.66 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 121.038 -1.039 . . . . 0.41999999999999998 110.124 -178.903 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 34' ' ' ALA . 35.4 mm -109.2 127.97 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 N-CA-C 107.749 -1.204 . . . . 0.26000000000000001 107.749 178.899 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -74.34 -59.74 2.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.826 -1.171 . . . . 2.0499999999999998 109.189 -179.43 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -77.73 132.1 37.98 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.685 -0.806 . . . . 1.22 110.78 -178.63 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.8 p -66.63 -34.87 78.83 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.448 -0.783 . . . . 0.34999999999999998 109.768 -179.866 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.614 HH21 ' CG ' ' A' ' 31' ' ' GLU . 10.5 ptp180 -54.52 -42.95 71.45 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.664 -1.272 . . . . 0.85999999999999999 108.324 179.601 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.461 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 95.0 m-20 -65.9 -30.74 71.38 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.497 -0.752 . . . . 0.33000000000000002 110.043 179.751 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.1 tp -54.11 -49.44 69.14 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.924 -1.11 . . . . 0.37 109.053 -178.976 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.472 HH11 ' HG2' ' A' ' 50' ' ' ARG . 16.6 ttt-85 -59.06 -40.5 85.35 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.125 -1.065 . . . . 3.2400000000000002 108.125 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -66.17 -37.37 85.48 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.517 -0.739 . . . . 0.45000000000000001 109.841 178.953 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -60.11 -39.67 87.03 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.533 -0.73 . . . . 0.33000000000000002 109.107 -179.238 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.79 -41.49 97.8 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.012 -1.055 . . . . 0.44 109.617 178.733 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.727 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 96.0 mt-10 -70.93 -28.37 64.44 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.225 -0.922 . . . . 2.0800000000000001 111.736 -179.537 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.6 mt -95.63 -38.95 10.16 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.469 -1.394 . . . . 0.5 112.292 -178.53 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 18.7 mmm180 -102.93 9.78 38.59 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.028 -1.045 . . . . 2.21 112.536 -176.764 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 93.7 m-70 -154.41 -66.62 0.14 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.078 -1.639 . . . . 0.67000000000000004 111.064 179.896 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -82.78 11.05 6.42 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.897 -1.127 . . . . 0.88 109.965 -179.182 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.345 -0.847 . . . . 1.0700000000000001 109.598 179.672 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 121.012 0.434 . . . . 0.93000000000000005 110.164 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -93.65 -2.05 54.49 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.316 -0.865 . . . . 2.1000000000000001 109.651 179.039 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.616 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 32.6 t-80 -77.54 -32.29 0.92 Allowed Pre-proline 0 N--CA 1.5 2.058 0 O-C-N 121.485 -0.759 . . . . 3.25 112.583 -178.031 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.5 Cg_exo -53.67 149.25 32.78 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.128 1.885 . . . . 1.0 111.962 -179.211 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -76.68 172.89 15.38 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.693 2.262 . . . . 1.3700000000000001 112.998 179.11 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.54 28.63 61.11 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.857 -1.297 . . . . 1.3 109.857 179.692 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.722 HG23 ' O ' ' A' ' 21' ' ' THR . 8.6 t -91.64 86.69 6.07 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.022 -1.281 . . . . 1.05 108.052 179.331 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -76.3 148.24 37.65 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.453 -0.779 . . . . 2.5899999999999999 110.167 -179.119 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -106.78 76.51 0.44 Allowed Pre-proline 0 N--CA 1.499 1.975 0 O-C-N 121.294 -0.878 . . . . 2.3199999999999998 109.896 179.703 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.03 150.8 85.13 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 121.816 1.678 . . . . 0.85999999999999999 112.512 -179.575 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.532 HH11 ' HG2' ' A' ' 25' ' ' ARG . 13.5 mtt-85 -70.35 -13.6 62.22 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.983 -1.073 . . . . 3.7400000000000002 110.841 -179.061 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 m -70.59 -5.01 26.06 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.606 -1.309 . . . . 0.87 109.895 179.962 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -108.7 -26.24 10.44 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.146 -0.971 . . . . 1.0600000000000001 110.494 -178.984 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 p -108.05 -28.88 9.29 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.335 -0.853 . . . . 0.66000000000000003 110.123 -179.354 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.438 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 17.8 tp60 -60.45 -37.73 81.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.963 -1.086 . . . . 2.8199999999999998 109.607 -179.885 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.8 m -58.86 -30.22 67.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.398 -0.814 . . . . 0.44 108.927 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -84.84 132.98 34.34 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.567 0.699 . . . . 1.3 110.231 -178.956 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 29' ' ' GLN . 41.2 mm-40 -115.18 150.61 44.64 Favored Pre-proline 0 N--CA 1.502 2.153 0 N-CA-C 108.861 -0.792 . . . . 2.0699999999999998 108.861 179.896 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -50.58 152.84 8.57 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.86 1.707 . . . . 0.47999999999999998 111.279 -179.587 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -147.29 142.57 27.31 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.002 -1.061 . . . . 0.27000000000000002 112.32 -178.505 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.48 HG22 ' N ' ' A' ' 36' ' ' CYS . 83.5 m -117.19 160.38 21.15 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 121.419 0.628 . . . . 0.39000000000000001 110.196 178.804 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.48 ' N ' HG22 ' A' ' 35' ' ' THR . 5.6 t -104.7 104.76 47.51 Favored Pre-proline 0 N--CA 1.501 2.099 0 O-C-N 121.398 -0.814 . . . . 0.41999999999999998 110.071 179.943 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.42 -4.28 0.75 Allowed 'Trans proline' 0 N--CA 1.502 1.981 0 C-N-CA 121.92 1.747 . . . . 0.80000000000000004 113.349 179.39 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.1 mt -96.8 -53.25 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 120.717 -1.239 . . . . 0.53000000000000003 109.688 -179.229 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.675 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 19.1 p -120.31 16.38 12.25 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.414 -0.804 . . . . 0.46999999999999997 109.205 178.999 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' CYS . 94.2 m-85 52.0 19.19 0.95 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.545 -0.722 . . . . 0.66000000000000003 110.643 179.503 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.675 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.6 138.74 57.63 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.97 -1.493 . . . . 0.38 106.97 178.268 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.61 114.46 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.699 -1.251 . . . . 0.41999999999999998 110.077 -178.722 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ALA . 33.8 mm -109.06 129.95 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 107.254 -1.387 . . . . 0.26000000000000001 107.254 178.14 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -71.48 -63.44 1.12 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.728 -1.232 . . . . 2.0499999999999998 110.281 -178.388 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.614 HE22 ' NH2' ' A' ' 47' ' ' ARG . 85.8 mt-30 -79.63 132.09 36.16 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.129 -0.982 . . . . 1.22 110.252 -179.414 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.5 p -62.54 -35.45 79.47 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.656 -0.652 . . . . 0.34999999999999998 110.432 179.34 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.614 ' NH2' HE22 ' A' ' 45' ' ' GLN . 27.6 ptt180 -58.96 -36.99 75.74 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.743 -1.223 . . . . 0.85999999999999999 108.312 179.586 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.88 -29.23 67.48 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.277 -0.89 . . . . 0.33000000000000002 109.35 179.048 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.1 tp -59.65 -43.55 93.88 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.218 -0.926 . . . . 0.37 109.466 -179.246 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.404 ' H ' ' CD ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -59.02 -40.19 84.22 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.337 -1.357 . . . . 3.2400000000000002 107.337 179.07 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -64.36 -37.04 86.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.612 -0.68 . . . . 0.45000000000000001 109.491 179.147 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -63.85 -37.65 88.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.375 -0.828 . . . . 0.33000000000000002 109.565 179.601 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.66 -43.85 93.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.151 -0.968 . . . . 0.44 109.922 -179.631 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.741 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 99.2 mt-10 -73.69 -15.12 61.24 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.144 -0.973 . . . . 2.0800000000000001 111.68 -179.425 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -98.5 -47.13 5.5 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 120.92 -1.113 . . . . 0.5 112.091 -177.873 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.428 ' HG3' HH11 ' A' ' 56' ' ' ARG . 20.3 mmm-85 -104.61 17.93 23.19 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.929 -1.107 . . . . 2.21 112.009 -178.229 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.7 m-70 -151.25 -78.56 0.12 Allowed 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.666 -1.271 . . . . 0.67000000000000004 110.604 178.998 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -80.4 15.28 1.66 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.801 -1.187 . . . . 0.88 110.496 -179.156 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.047 -1.033 . . . . 1.0700000000000001 109.202 179.665 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.867 0 N-CA-C 109.231 -0.655 . . . . 0.93000000000000005 109.231 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -90.4 11.56 21.15 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.201 -0.937 . . . . 2.1000000000000001 108.924 178.382 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.618 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.0 m80 -79.32 -28.83 0.56 Allowed Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.438 -0.789 . . . . 3.25 112.621 -177.973 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.5 Cg_exo -54.38 142.61 68.94 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.603 1.535 . . . . 1.0 111.479 -179.125 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.11 171.54 15.03 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.376 2.051 . . . . 1.3700000000000001 112.581 -179.306 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.88 31.11 62.55 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.822 -1.311 . . . . 1.3 109.822 179.861 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.82 90.93 8.62 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.008 -1.29 . . . . 1.05 108.958 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -80.51 139.08 36.56 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.355 -0.84 . . . . 2.5899999999999999 109.262 -179.904 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -105.94 97.69 16.13 Favored Pre-proline 0 N--CA 1.5 2.032 0 O-C-N 121.634 -0.666 . . . . 2.3199999999999998 109.484 179.849 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -84.37 154.93 12.4 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 C-N-CA 121.466 1.444 . . . . 0.85999999999999999 111.415 178.735 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.61 -18.93 65.63 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.325 -0.859 . . . . 3.7400000000000002 110.7 -179.21 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.7 m -70.12 -3.71 17.95 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.641 -1.287 . . . . 0.87 110.844 -179.271 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.549 HH11 ' HG2' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -103.05 -29.95 11.05 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.965 -1.084 . . . . 1.0600000000000001 111.178 -179.612 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 p -110.16 -43.13 4.0 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.154 -0.966 . . . . 0.66000000000000003 109.495 179.947 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -59.02 -37.87 77.91 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.627 -0.829 . . . . 2.8199999999999998 109.404 -178.764 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.0 m -58.88 -30.51 67.8 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.286 -0.884 . . . . 0.44 109.521 179.926 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -76.75 134.62 39.11 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.175 -0.953 . . . . 1.3 108.913 179.823 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -117.08 152.13 48.47 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.836 -0.801 . . . . 2.0699999999999998 108.836 -179.488 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -49.59 155.9 3.34 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.746 1.631 . . . . 0.47999999999999998 112.462 -179.644 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -145.68 133.89 21.66 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.435 -0.791 . . . . 0.27000000000000002 109.843 -179.658 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.4 m -113.96 145.05 42.08 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.356 -0.84 . . . . 0.39000000000000001 110.029 179.349 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -82.11 129.26 64.8 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.295 -0.878 . . . . 0.41999999999999998 109.028 179.9 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -76.25 -6.01 16.78 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.723 1.616 . . . . 0.80000000000000004 112.122 -179.893 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.0 mt -100.51 -57.5 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.279 -0.888 . . . . 0.53000000000000003 110.964 -179.359 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.2 p -114.07 25.73 10.89 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.445 -0.784 . . . . 0.46999999999999997 110.201 -179.149 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 43.37 18.03 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.326 -0.859 . . . . 0.66000000000000003 111.485 178.597 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.589 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.96 135.71 57.68 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.358 -1.349 . . . . 0.38 107.358 178.413 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.38 118.56 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.946 -1.097 . . . . 0.41999999999999998 110.468 -178.7 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 36.2 mm -111.16 130.0 65.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 107.638 -1.245 . . . . 0.26000000000000001 107.638 178.729 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.444 HH11 ' HG2' ' A' ' 44' ' ' ARG . 9.4 mtt-85 -74.12 -60.94 2.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.552 -1.342 . . . . 2.0499999999999998 110.735 -178.634 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.57 ' OE1' ' NH1' ' A' ' 47' ' ' ARG . 75.8 mt-30 -81.42 132.44 35.32 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.797 -1.19 . . . . 1.22 109.647 -179.616 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.1 p -63.58 -37.68 88.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.153 -0.967 . . . . 0.34999999999999998 111.002 -179.154 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.715 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -57.27 -36.2 70.7 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 120.2 -1.563 . . . . 0.85999999999999999 109.023 -179.818 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.411 ' HA ' HD21 ' A' ' 48' ' ' ASN . 12.1 m120 -67.53 -29.32 68.69 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.111 -0.993 . . . . 0.33000000000000002 108.464 178.389 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.0 tp -57.74 -45.82 85.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.92 -1.113 . . . . 0.37 109.787 179.985 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.428 HH12 ' HA ' ' A' ' 47' ' ' ARG . 20.7 mtm-85 -60.01 -38.44 82.64 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 117.961 -1.496 . . . . 3.2400000000000002 107.31 179.834 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -62.31 -38.65 90.26 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.731 -0.606 . . . . 0.45000000000000001 109.395 178.968 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -61.82 -40.15 94.28 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.508 -0.745 . . . . 0.33000000000000002 110.47 -179.535 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.53 -46.79 87.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.955 -1.091 . . . . 0.44 109.998 -179.218 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.705 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 77.9 mm-40 -71.64 -21.86 61.76 Favored 'General case' 0 C--N 1.293 -1.883 0 O-C-N 121.287 -0.883 . . . . 2.0800000000000001 111.806 -178.791 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.75 -36.99 10.97 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.606 -1.309 . . . . 0.5 111.814 -178.69 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.534 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 21.4 mmm-85 -109.98 16.99 21.55 Favored 'General case' 0 N--CA 1.508 2.425 0 O-C-N 120.759 -1.213 . . . . 2.21 112.636 -177.92 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.1 m-70 -154.83 -72.01 0.12 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.259 -1.525 . . . . 0.67000000000000004 110.732 179.472 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -81.31 11.71 4.16 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.997 -1.065 . . . . 0.88 109.68 -179.62 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.295 -1.796 0 N-CA-C 108.996 -0.742 . . . . 1.0700000000000001 108.996 179.669 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 121.526 0.679 . . . . 0.93000000000000005 110.392 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -86.81 5.91 34.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.417 -0.802 . . . . 2.1000000000000001 109.221 179.17 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.458 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 10.5 m-70 -78.65 -53.78 1.19 Allowed Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 121.099 -1.001 . . . . 3.25 112.234 -179.027 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 17' ' ' HIS . 2.2 Cg_endo -42.82 163.69 0.04 OUTLIER 'Trans proline' 0 N--CA 1.5 1.888 0 C-N-CA 121.842 1.695 . . . . 1.0 112.346 -179.178 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -66.96 174.44 6.81 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.688 2.259 . . . . 1.3700000000000001 112.126 -178.903 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.41 13.34 80.61 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.801 -1.319 . . . . 1.3 109.801 -179.888 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 21' ' ' THR . 9.4 t -90.36 87.25 6.73 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.11 -1.23 . . . . 1.05 109.678 -179.765 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -83.03 144.45 29.92 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.641 -0.662 . . . . 2.5899999999999999 110.08 179.962 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -107.28 69.67 0.27 Allowed Pre-proline 0 N--CA 1.508 2.451 0 O-C-N 121.242 -0.911 . . . . 2.3199999999999998 111.033 -179.776 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -56.61 148.96 61.19 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.263 1.309 . . . . 0.85999999999999999 111.245 178.936 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.05 -18.13 62.58 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.121 -0.987 . . . . 3.7400000000000002 110.222 -179.56 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.5 m -70.1 -4.31 20.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.287 -0.883 . . . . 0.87 110.338 -179.265 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -92.93 -46.05 7.67 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.095 -1.003 . . . . 1.0600000000000001 110.313 -179.029 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.4 p -100.81 -28.93 12.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.455 -0.778 . . . . 0.66000000000000003 110.264 -178.52 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -60.45 -38.74 85.13 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.764 -1.21 . . . . 2.8199999999999998 108.396 179.106 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.2 m -59.38 -31.8 69.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.283 -0.886 . . . . 0.44 109.178 179.553 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -81.56 143.23 32.14 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.132 -0.98 . . . . 1.3 110.233 -179.553 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -129.99 154.25 81.17 Favored Pre-proline 0 N--CA 1.496 1.834 0 N-CA-C 107.912 -1.144 . . . . 2.0699999999999998 107.912 179.28 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.11 153.86 11.73 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.735 1.623 . . . . 0.47999999999999998 111.976 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.44 134.06 21.01 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.16 -0.963 . . . . 0.27000000000000002 111.119 -179.295 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.8 m -112.32 145.07 40.68 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.315 -0.866 . . . . 0.39000000000000001 109.606 179.095 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.2 t -82.87 127.4 69.88 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.276 -0.89 . . . . 0.41999999999999998 109.341 -179.856 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.38 -3.31 13.53 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 121.859 1.706 . . . . 0.80000000000000004 112.61 -179.534 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.9 mt -100.93 -53.64 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.228 -0.92 . . . . 0.53000000000000003 110.085 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.5 p -118.96 18.03 13.26 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 121.341 -0.849 . . . . 0.46999999999999997 110.751 -179.407 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 54.49 16.26 1.25 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.261 -0.899 . . . . 0.66000000000000003 111.902 178.545 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.554 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.16 134.73 56.74 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.575 -1.328 . . . . 0.38 107.587 177.854 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -94.02 117.62 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.914 -1.116 . . . . 0.41999999999999998 110.07 -179.1 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.6 mm -112.44 131.17 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 107.069 -1.456 . . . . 0.26000000000000001 107.069 178.508 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.503 HH11 ' HG2' ' A' ' 44' ' ' ARG . 18.0 mtt-85 -74.53 -61.97 1.69 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.662 -1.274 . . . . 2.0499999999999998 110.537 -178.555 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.676 HE22 ' NH2' ' A' ' 47' ' ' ARG . 88.3 mt-30 -77.33 141.31 39.95 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.13 -0.981 . . . . 1.22 110.294 -179.098 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.4 p -69.33 -36.79 77.3 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.036 -1.04 . . . . 0.34999999999999998 110.019 179.828 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.676 ' NH2' HE22 ' A' ' 45' ' ' GLN . 26.0 ptt180 -60.04 -34.02 72.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.824 -1.173 . . . . 0.85999999999999999 108.566 179.659 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.496 ' ND2' ' OE1' ' A' ' 45' ' ' GLN . 99.0 m-20 -69.79 -29.62 66.97 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.935 -0.765 . . . . 0.33000000000000002 108.935 178.765 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.47 -41.01 93.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.865 . . . . 0.37 109.097 179.281 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -60.01 -39.43 85.78 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.52 -1.289 . . . . 3.2400000000000002 107.52 179.258 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -67.16 -38.36 85.33 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 109.259 -0.645 . . . . 0.45000000000000001 109.259 179.194 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -61.65 -41.26 97.27 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.354 -0.841 . . . . 0.33000000000000002 109.513 179.853 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.07 -39.95 94.14 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.264 -0.898 . . . . 0.44 110.298 -179.916 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.722 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 79.2 mm-40 -72.06 -20.29 61.69 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.377 -0.827 . . . . 2.0800000000000001 111.914 -178.422 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.1 mt -103.72 -32.84 9.17 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.917 -1.114 . . . . 0.5 112.347 -178.13 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.562 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.8 mmm-85 -108.0 6.69 27.34 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.547 -1.346 . . . . 2.21 112.144 -178.073 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 86.0 m-70 -152.32 -68.59 0.16 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.398 -1.439 . . . . 0.67000000000000004 111.165 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -77.73 8.14 4.87 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.773 -1.204 . . . . 0.88 109.318 -179.536 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.298 -1.635 0 O-C-N 121.64 -0.662 . . . . 1.0700000000000001 110.148 -179.67 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.383 -0.599 . . . . 0.93000000000000005 109.383 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -94.76 10.73 34.02 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.521 -0.737 . . . . 2.1000000000000001 109.423 179.637 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.621 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 68.8 m-70 -82.32 -31.31 0.54 Allowed Pre-proline 0 N--CA 1.498 1.969 0 O-C-N 121.017 -1.052 . . . . 3.25 112.25 -179.016 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 73.6 Cg_exo -49.82 154.31 5.05 Favored 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 122.061 1.84 . . . . 1.0 112.139 -178.755 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -62.25 168.95 8.56 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.628 2.219 . . . . 1.3700000000000001 112.303 -178.642 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.57 21.21 75.44 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 110.53 -1.028 . . . . 1.3 110.53 179.464 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 21' ' ' THR . 5.8 t -91.68 89.82 7.29 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.904 -1.351 . . . . 1.05 109.103 179.394 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -74.76 141.77 44.38 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.124 -0.985 . . . . 2.5899999999999999 108.672 179.409 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -106.53 88.43 3.36 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.802 -0.562 . . . . 2.3199999999999998 109.709 -179.434 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.31 137.42 18.89 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 121.659 1.573 . . . . 0.85999999999999999 111.213 179.512 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 1.3 mpt_? -73.34 -8.18 54.77 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.526 -0.734 . . . . 3.7400000000000002 109.587 -179.628 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.4 m -71.09 -5.33 30.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.912 -1.118 . . . . 0.87 109.755 -179.694 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' A' ' 27' ' ' ARG . 9.9 mmt-85 -97.08 -17.16 20.15 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.55 -0.718 . . . . 1.0600000000000001 109.637 179.852 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.4 p -109.38 -42.97 4.22 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.612 -0.68 . . . . 0.66000000000000003 110.068 -179.858 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -60.54 -36.13 77.69 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.235 -0.916 . . . . 2.8199999999999998 110.468 -179.198 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.1 m -62.21 -19.32 63.04 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.258 -1.015 . . . . 0.44 108.258 -179.89 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -92.04 143.85 26.05 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.58 -0.7 . . . . 1.3 110.208 -179.367 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.468 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 4.4 mp0 -116.45 152.82 48.57 Favored Pre-proline 0 N--CA 1.499 2.011 0 N-CA-C 108.974 -0.751 . . . . 2.0699999999999998 108.974 -179.689 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -57.07 151.88 47.79 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 121.765 1.643 . . . . 0.47999999999999998 110.783 179.395 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.68 133.31 23.65 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 119.896 -0.722 . . . . 0.27000000000000002 110.908 -178.849 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.6 m -114.79 140.06 49.22 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.466 0.65 . . . . 0.39000000000000001 109.791 179.306 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.444 ' HB3' ' N ' ' A' ' 41' ' ' ALA . 5.3 t -74.76 127.05 87.78 Favored Pre-proline 0 C--N 1.302 -1.461 0 N-CA-C 108.302 -0.999 . . . . 0.41999999999999998 108.302 179.106 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.99 -2.68 12.9 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.055 1.837 . . . . 0.80000000000000004 111.908 179.926 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.8 mt -103.13 -59.71 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.297 -0.877 . . . . 0.53000000000000003 110.061 -179.381 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 13.9 p -112.7 27.45 9.62 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.479 -0.763 . . . . 0.46999999999999997 110.356 -178.57 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 44.84 18.31 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.441 -0.787 . . . . 0.66000000000000003 111.779 179.202 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.57 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.7 134.61 54.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.566 -1.334 . . . . 0.38 107.533 177.783 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -95.79 111.84 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.058 -1.026 . . . . 0.41999999999999998 110.462 -178.443 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.5 mm -109.79 126.07 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 107.355 -1.35 . . . . 0.26000000000000001 107.355 178.243 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -70.73 -59.53 2.76 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 118.852 -1.139 . . . . 2.0499999999999998 110.731 -178.888 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.613 ' NE2' HH21 ' A' ' 47' ' ' ARG . 90.2 mt-30 -79.92 137.9 36.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.301 -0.874 . . . . 1.22 109.262 -179.284 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.6 p -68.28 -38.75 82.01 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.26 -0.9 . . . . 0.34999999999999998 110.668 -178.923 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.613 HH21 ' NE2' ' A' ' 45' ' ' GLN . 22.4 ptt180 -53.31 -37.64 62.44 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.273 -0.892 . . . . 0.85999999999999999 108.607 179.873 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -72.39 -25.37 61.48 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.589 -0.695 . . . . 0.33000000000000002 109.386 178.972 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.13 -48.2 82.71 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.997 -1.064 . . . . 0.37 109.159 -179.663 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HG2' HH11 ' A' ' 50' ' ' ARG . 18.7 ttt-85 -59.74 -40.01 86.65 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.351 -1.352 . . . . 3.2400000000000002 107.351 179.815 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.94 -39.57 86.0 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.07 -1.052 . . . . 0.45000000000000001 109.195 178.6 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -61.45 -36.81 81.45 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.283 -0.885 . . . . 0.33000000000000002 109.97 -179.375 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.69 -39.94 86.2 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.802 -1.186 . . . . 0.44 109.594 -179.869 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.735 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 48.0 mt-10 -74.88 -19.59 60.08 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.325 -0.859 . . . . 2.0800000000000001 112.81 -178.107 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.9 mt -95.86 -45.08 7.11 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.474 -1.391 . . . . 0.5 112.533 -177.974 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.519 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.8 mmm-85 -107.16 19.56 20.21 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 120.625 -1.297 . . . . 2.21 111.757 -178.015 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 95.6 m-70 -155.35 -75.19 0.11 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 120.341 -1.475 . . . . 0.67000000000000004 110.736 179.687 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -78.61 10.76 2.95 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.276 -0.89 . . . . 0.88 110.203 -178.94 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.329 -0.857 . . . . 1.0700000000000001 108.7 178.885 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 121.15 0.5 . . . . 0.93000000000000005 110.512 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -92.83 4.66 53.44 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.36 -0.838 . . . . 2.1000000000000001 109.565 178.924 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.581 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 50.6 m-70 -80.74 -31.99 0.64 Allowed Pre-proline 0 N--CA 1.498 1.947 0 N-CA-C 113.384 0.883 . . . . 3.25 113.384 -177.534 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 76.9 Cg_exo -50.26 140.15 34.44 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 121.565 1.51 . . . . 1.0 111.951 -179.068 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -76.22 -179.55 5.36 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.201 1.934 . . . . 1.3700000000000001 111.337 179.837 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.3 31.31 63.74 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.248 -1.541 . . . . 1.3 109.248 -179.753 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 21' ' ' THR . 10.1 t -89.32 95.7 10.4 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.248 -1.148 . . . . 1.05 109.53 -179.333 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.34 141.71 38.23 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.188 -1.042 . . . . 2.5899999999999999 108.188 179.455 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -105.3 74.26 0.26 Allowed Pre-proline 0 N--CA 1.497 1.908 0 O-C-N 121.257 -0.902 . . . . 2.3199999999999998 111.039 -179.127 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -60.28 146.83 95.66 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.668 1.579 . . . . 0.85999999999999999 112.201 179.567 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.562 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.4 -16.77 61.84 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.286 -0.884 . . . . 3.7400000000000002 110.905 -179.06 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.2 m -71.31 -0.51 10.22 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.659 -1.275 . . . . 0.87 110.184 -179.569 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -89.74 -64.0 1.2 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.077 -1.014 . . . . 1.0600000000000001 110.872 -178.998 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -88.82 -27.36 21.13 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.986 -1.071 . . . . 0.66000000000000003 111.195 -178.321 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -61.74 -38.39 87.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.669 -1.27 . . . . 2.8199999999999998 108.793 179.955 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.2 m -60.06 -31.03 69.61 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.603 -0.685 . . . . 0.44 110.689 -179.075 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -92.28 135.16 34.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.784 -1.197 . . . . 1.3 110.015 -178.785 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -113.28 149.37 41.36 Favored Pre-proline 0 N--CA 1.5 2.029 0 N-CA-C 109.116 -0.698 . . . . 2.0699999999999998 109.116 -179.833 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -38.93 152.41 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.117 1.878 . . . . 0.47999999999999998 112.065 -179.327 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -145.99 127.38 14.95 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.212 -0.93 . . . . 0.27000000000000002 109.856 -179.465 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.506 HG22 ' N ' ' A' ' 36' ' ' CYS . 77.0 m -108.21 159.03 16.93 Favored 'General case' 0 N--CA 1.499 1.978 0 CA-C-O 121.849 0.833 . . . . 0.39000000000000001 110.338 -179.699 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.506 ' N ' HG22 ' A' ' 35' ' ' THR . 2.6 t -93.98 128.4 41.41 Favored Pre-proline 0 C--N 1.304 -1.409 0 N-CA-C 108.79 -0.818 . . . . 0.41999999999999998 108.79 179.725 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.07 -5.73 16.06 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.036 1.824 . . . . 0.80000000000000004 112.278 -179.516 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.1 mt -97.82 -60.04 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.294 -0.879 . . . . 0.53000000000000003 110.079 -179.554 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.621 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.9 p -112.45 23.01 14.05 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.393 -0.817 . . . . 0.46999999999999997 110.826 -179.076 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 49.21 19.97 0.37 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.184 -0.947 . . . . 0.66000000000000003 111.065 178.821 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.621 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.58 138.23 56.98 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 107.058 -1.46 . . . . 0.38 107.058 178.167 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.7 t -95.75 115.95 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.18 -0.95 . . . . 0.41999999999999998 110.001 -178.844 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 42.8 mm -113.85 129.82 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 108.037 -1.098 . . . . 0.26000000000000001 108.037 178.809 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -74.07 -62.37 1.53 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.885 -1.135 . . . . 2.0499999999999998 111.245 -178.511 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -80.16 140.83 36.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.962 -1.086 . . . . 1.22 110.455 -179.743 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.9 p -66.83 -39.24 87.58 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.045 -1.034 . . . . 0.34999999999999998 110.073 179.904 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 10.9 ptp180 -54.75 -36.96 65.35 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.654 -1.279 . . . . 0.85999999999999999 108.522 179.592 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 99.1 m-20 -67.06 -30.76 70.92 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.603 -0.685 . . . . 0.33000000000000002 109.336 -179.888 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.84 -42.47 89.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.155 -0.966 . . . . 0.37 108.912 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -59.24 -41.74 89.43 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.263 -1.014 . . . . 3.2400000000000002 108.263 -179.74 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -66.67 -32.54 73.92 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.351 -0.843 . . . . 0.45000000000000001 110.356 179.322 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -64.07 -43.29 95.9 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.158 -0.964 . . . . 0.33000000000000002 110.201 -179.217 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.9 mt -62.0 -39.83 93.59 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.207 -0.933 . . . . 0.44 110.385 -179.656 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.786 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 98.3 mt-10 -70.05 -29.38 66.38 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.231 -0.918 . . . . 2.0800000000000001 111.726 -178.507 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 59' ' ' ALA . 70.3 mt -98.81 -31.75 11.71 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.852 -1.155 . . . . 0.5 111.995 -178.312 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.545 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 21.3 mmm180 -107.14 8.84 30.35 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.003 -1.061 . . . . 2.21 112.199 -177.257 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.545 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.5 m-70 -155.31 -66.5 0.12 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 120.282 -1.511 . . . . 0.67000000000000004 111.148 179.451 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -79.55 7.18 8.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.746 -1.221 . . . . 0.88 109.581 -179.068 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.516 -0.74 . . . . 1.0700000000000001 109.042 178.981 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 109.378 -0.601 . . . . 0.93000000000000005 109.378 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -92.94 10.09 32.75 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.156 -0.965 . . . . 2.1000000000000001 109.623 179.262 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.633 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 52.8 t-80 -82.68 -30.11 0.49 Allowed Pre-proline 0 N--CA 1.497 1.922 0 O-C-N 121.201 -0.937 . . . . 3.25 112.905 -178.471 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 78.0 Cg_exo -52.46 139.78 55.26 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.162 1.908 . . . . 1.0 113.07 -178.197 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.7 173.4 13.44 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.344 2.029 . . . . 1.3700000000000001 112.31 179.662 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.47 25.91 64.56 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 110.167 -1.173 . . . . 1.3 110.167 179.455 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 21' ' ' THR . 3.3 t -91.36 86.71 6.19 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.093 -1.24 . . . . 1.05 109.113 179.75 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -82.85 139.48 33.45 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.91 -1.144 . . . . 2.5899999999999999 107.91 179.132 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -89.19 112.63 52.35 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 121.05 -1.031 . . . . 2.3199999999999998 111.28 -178.673 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -86.36 136.42 4.73 Favored 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.285 1.99 . . . . 0.85999999999999999 111.323 178.181 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.64 -21.11 62.66 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.261 -0.899 . . . . 3.7400000000000002 110.618 -179.782 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 m -69.46 -2.23 10.63 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.125 -0.985 . . . . 0.87 109.717 -179.181 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' A' ' 27' ' ' ARG . 2.0 mmt-85 -107.72 -26.24 10.91 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 121.3 -0.875 . . . . 1.0600000000000001 111.026 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 p -109.97 -36.22 5.93 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 120.897 -1.127 . . . . 0.66000000000000003 109.121 -179.843 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -63.3 -35.65 81.06 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.35 -0.844 . . . . 2.8199999999999998 110.381 -179.858 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.0 m -60.31 -26.62 66.67 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.768 -1.207 . . . . 0.44 110.448 -179.46 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.494 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 68.9 mm-40 -80.79 135.18 35.92 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.21 -0.931 . . . . 1.3 109.908 -179.609 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -114.91 153.58 47.01 Favored Pre-proline 0 N--CA 1.506 2.368 0 O-C-N 121.342 -0.849 . . . . 2.0699999999999998 108.806 179.559 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -42.24 152.49 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.858 1.705 . . . . 0.47999999999999998 112.088 179.151 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.91 131.13 17.42 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.163 -0.96 . . . . 0.27000000000000002 109.375 179.692 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 36' ' ' CYS . 21.1 m -114.51 160.83 18.78 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.643 -0.66 . . . . 0.39000000000000001 109.766 -179.365 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 40' ' ' TYR . 5.4 t -105.4 101.09 29.44 Favored Pre-proline 0 N--CA 1.495 1.802 0 N-CA-C 109.248 -0.649 . . . . 0.41999999999999998 109.248 179.671 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.93 -3.23 0.43 Allowed 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 122.053 1.836 . . . . 0.80000000000000004 113.741 -179.685 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.1 mt -95.46 -50.78 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.846 -1.159 . . . . 0.53000000000000003 109.594 -178.977 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 13.7 p -121.03 8.14 10.39 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 109.027 -0.731 . . . . 0.46999999999999997 109.027 179.608 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' CYS . 88.3 m-85 59.22 20.97 9.05 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.894 -0.504 . . . . 0.66000000000000003 111.32 178.931 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.424 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.22 138.47 56.25 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.385 -1.447 . . . . 0.38 107.137 178.075 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -95.73 109.39 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.909 -1.119 . . . . 0.41999999999999998 109.797 -178.973 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' ALA . 37.9 mm -109.96 129.54 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 N-CA-C 108.806 -0.812 . . . . 0.26000000000000001 108.806 179.228 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -74.61 -56.22 5.05 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.835 -1.166 . . . . 2.0499999999999998 110.708 -179.343 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.516 ' OE1' ' ND2' ' A' ' 48' ' ' ASN . 98.5 mt-30 -78.43 130.15 35.75 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.841 -1.162 . . . . 1.22 110.45 -179.205 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.3 p -63.22 -39.78 95.6 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.226 -0.921 . . . . 0.34999999999999998 109.289 179.734 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.494 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -58.09 -41.46 83.51 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 118.552 -1.259 . . . . 0.85999999999999999 108.821 179.534 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.516 ' ND2' ' OE1' ' A' ' 45' ' ' GLN . 86.1 m-20 -60.84 -35.61 76.99 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.227 -0.921 . . . . 0.33000000000000002 109.687 179.866 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.86 -39.94 78.97 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.409 -0.959 . . . . 0.37 108.409 179.764 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -58.97 -40.68 85.5 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.82 -1.178 . . . . 3.2400000000000002 107.82 179.703 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.417 HH12 ' HA ' ' A' ' 48' ' ' ASN . 13.7 ttp-105 -65.93 -36.4 83.26 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.83 -0.748 . . . . 0.45000000000000001 109.006 178.833 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -65.54 -39.42 91.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.469 -0.769 . . . . 0.33000000000000002 110.585 -179.692 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 58' ' ' PHE . 84.9 mt -59.18 -40.5 85.89 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.609 -1.307 . . . . 0.44 109.212 -179.447 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 47.7 mt-10 -72.64 -24.48 61.06 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.218 -0.926 . . . . 2.0800000000000001 112.004 -179.447 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -88.68 -43.22 11.48 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.425 -1.422 . . . . 0.5 112.148 -177.279 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.6 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 29.2 mmm-85 -106.09 0.68 25.71 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.952 -1.093 . . . . 2.21 113.286 -176.919 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.6 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 46.5 m-70 -148.34 -65.34 0.25 Allowed 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.079 -1.638 . . . . 0.67000000000000004 111.491 -179.056 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 53' ' ' LEU . 39.6 m-85 -79.43 21.07 0.51 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.078 -1.014 . . . . 0.88 110.121 -178.746 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.297 -1.674 0 O-C-N 121.534 -0.729 . . . . 1.0700000000000001 109.668 -179.857 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 120.902 0.382 . . . . 0.93000000000000005 110.467 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -94.88 4.57 53.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.252 -0.905 . . . . 2.1000000000000001 110.148 179.059 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.599 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 6.7 t60 -83.08 -34.74 0.63 Allowed Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.195 -0.941 . . . . 3.25 112.187 -178.359 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 74.3 Cg_exo -50.84 155.8 5.33 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.843 1.695 . . . . 1.0 111.195 -179.122 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -57.91 165.42 6.67 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.411 2.074 . . . . 1.3700000000000001 112.089 -179.035 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.59 17.27 73.66 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.097 -1.201 . . . . 1.3 110.097 179.711 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.44 85.45 5.77 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.131 -1.217 . . . . 1.05 108.655 179.424 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -74.99 146.23 41.84 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.094 -1.004 . . . . 2.5899999999999999 108.932 -179.858 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -105.84 74.15 0.3 Allowed Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.388 -0.82 . . . . 2.3199999999999998 110.786 -179.291 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.32 138.63 51.68 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 C-N-CA 121.276 1.317 . . . . 0.85999999999999999 111.259 179.15 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.5 HH11 ' HG2' ' A' ' 25' ' ' ARG . 6.4 mmt-85 -71.37 -4.31 25.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.322 -0.862 . . . . 3.7400000000000002 110.053 -179.29 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.3 m -69.54 -2.78 12.3 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.135 -0.978 . . . . 0.87 109.658 -179.909 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -106.13 -26.65 11.5 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.16 -0.962 . . . . 1.0600000000000001 110.037 -179.158 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 p -105.91 -28.71 10.43 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.32 -0.862 . . . . 0.66000000000000003 109.802 -179.451 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -66.37 -38.75 88.29 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.125 -0.984 . . . . 2.8199999999999998 109.324 179.591 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.0 m -57.21 -31.64 65.69 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.439 -0.788 . . . . 0.44 109.627 -179.583 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -95.79 142.21 28.34 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.571 0.7 . . . . 1.3 110.09 -179.449 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -116.78 151.43 47.27 Favored Pre-proline 0 N--CA 1.494 1.755 0 N-CA-C 107.627 -1.249 . . . . 2.0699999999999998 107.627 179.228 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -38.2 154.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 121.873 1.715 . . . . 0.47999999999999998 112.035 179.722 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.76 137.87 26.76 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.005 -1.059 . . . . 0.27000000000000002 109.964 179.604 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.7 m -114.91 148.99 37.93 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.417 -0.802 . . . . 0.39000000000000001 110.153 -179.462 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.0 t -86.14 126.31 65.52 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 108.77 -0.826 . . . . 0.41999999999999998 108.77 179.776 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.73 -0.45 10.2 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 121.129 1.22 . . . . 0.80000000000000004 112.373 -179.709 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -104.11 -53.31 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.222 -0.923 . . . . 0.53000000000000003 110.898 -179.588 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.4 p -118.08 17.04 14.13 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.264 -0.898 . . . . 0.46999999999999997 110.186 -179.497 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 55.05 14.72 1.01 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.548 -0.72 . . . . 0.66000000000000003 111.435 178.979 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -55.54 136.92 49.71 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.47 -1.394 . . . . 0.38 107.931 178.739 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.79 116.34 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.985 -1.072 . . . . 0.41999999999999998 109.583 -179.093 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.1 mm -109.85 128.51 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.278 -1.379 . . . . 0.26000000000000001 107.278 178.425 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.447 HH11 ' HG2' ' A' ' 44' ' ' ARG . 16.6 mtt-85 -71.44 -59.75 2.6 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.125 -0.984 . . . . 2.0499999999999998 110.385 -178.768 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -83.81 139.93 32.37 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.125 -0.984 . . . . 1.22 111.043 -179.325 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -65.76 -36.28 83.11 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.264 -0.898 . . . . 0.34999999999999998 110.426 179.4 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -59.81 -38.98 83.51 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.679 -1.263 . . . . 0.85999999999999999 108.795 -179.75 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.06 -28.9 69.19 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.282 -0.886 . . . . 0.33000000000000002 108.945 179.289 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.4 tp -58.94 -45.1 91.26 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.117 -0.989 . . . . 0.37 109.256 -179.866 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.403 ' NH1' ' HG3' ' A' ' 50' ' ' ARG . 42.7 ttm-85 -60.02 -40.07 88.03 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.764 -1.21 . . . . 3.2400000000000002 108.596 179.703 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -64.8 -36.9 85.8 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.605 -0.685 . . . . 0.45000000000000001 109.402 179.596 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -63.19 -41.58 99.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.376 -0.828 . . . . 0.33000000000000002 109.577 -179.962 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.41 -41.62 94.3 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.08 -1.013 . . . . 0.44 109.437 179.759 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.886 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.0 mm-40 -73.61 -24.41 60.04 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.516 -0.74 . . . . 2.0800000000000001 112.274 -179.219 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.456 ' HA ' ' HB2' ' A' ' 59' ' ' ALA . 90.4 mt -100.58 -38.21 8.45 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.987 -1.071 . . . . 0.5 112.023 -178.037 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 17.5 mmm180 -103.19 12.92 35.09 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.987 -1.07 . . . . 2.21 112.277 -177.0 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.3 m-70 -154.5 -65.81 0.13 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.168 -1.582 . . . . 0.67000000000000004 111.425 179.49 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -81.52 1.42 33.58 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.047 -1.033 . . . . 0.88 110.267 -178.755 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.886 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.183 -0.948 . . . . 1.0700000000000001 108.859 179.503 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 121.043 0.449 . . . . 0.93000000000000005 110.217 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -92.53 12.87 21.49 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.422 -0.799 . . . . 2.1000000000000001 109.423 179.122 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.618 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.9 m170 -81.67 -30.18 0.53 Allowed Pre-proline 0 N--CA 1.497 1.877 0 N-CA-C 113.325 0.861 . . . . 3.25 113.325 -178.509 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 69.0 Cg_exo -52.3 155.18 9.81 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.308 2.006 . . . . 1.0 112.476 -178.864 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.74 174.19 4.83 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.401 2.068 . . . . 1.3700000000000001 111.909 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.64 10.99 85.88 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.823 -1.311 . . . . 1.3 109.823 -179.996 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 21' ' ' THR . 9.9 t -92.94 86.58 5.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -1.181 . . . . 1.05 109.176 -179.752 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -80.63 153.56 27.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.059 -1.026 . . . . 2.5899999999999999 109.69 -179.978 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -105.5 70.89 0.22 Allowed Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 122.013 -0.43 . . . . 2.3199999999999998 110.17 -179.814 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -63.2 135.35 50.15 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.056 1.837 . . . . 0.85999999999999999 111.106 179.474 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.562 HH11 ' HG2' ' A' ' 25' ' ' ARG . 4.7 mmt-85 -70.04 -5.94 30.1 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.309 -0.869 . . . . 3.7400000000000002 110.569 -179.212 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.6 m -72.55 -3.88 27.29 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.625 -1.297 . . . . 0.87 109.723 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -106.41 -26.4 11.48 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.246 -0.909 . . . . 1.0600000000000001 109.167 179.692 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.9 p -106.69 -32.17 8.12 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.47 -0.768 . . . . 0.66000000000000003 109.531 179.785 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -61.0 -37.67 83.34 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.954 -1.091 . . . . 2.8199999999999998 108.188 179.051 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.3 m -59.96 -29.91 68.73 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.482 -0.761 . . . . 0.44 109.075 179.3 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -83.38 135.44 34.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.188 -0.945 . . . . 1.3 109.462 179.542 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -116.32 151.48 46.88 Favored Pre-proline 0 N--CA 1.499 2.004 0 N-CA-C 108.303 -0.999 . . . . 2.0699999999999998 108.303 179.105 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -41.5 157.42 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.058 1.839 . . . . 0.47999999999999998 111.934 179.396 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.35 130.95 17.82 Favored 'General case' 0 N--CA 1.507 2.396 0 O-C-N 120.872 -1.142 . . . . 0.27000000000000002 110.97 -179.75 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.3 m -116.93 140.73 49.12 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 121.389 -0.82 . . . . 0.39000000000000001 110.066 179.163 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.7 t -82.01 123.72 79.59 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.389 -0.819 . . . . 0.41999999999999998 109.302 179.569 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.4 1.14 7.71 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.413 1.409 . . . . 0.80000000000000004 112.774 -179.626 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.3 mt -104.97 -46.57 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.052 -1.03 . . . . 0.53000000000000003 110.316 -179.576 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.9 p -125.63 18.63 8.04 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.47 -0.769 . . . . 0.46999999999999997 110.255 -179.776 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 52.84 18.31 1.03 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.494 -0.754 . . . . 0.66000000000000003 111.623 178.527 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.46 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.63 132.07 52.12 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 107.014 -1.476 . . . . 0.38 107.014 178.125 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 t -93.14 113.23 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.758 -1.214 . . . . 0.41999999999999998 110.185 -178.802 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 34' ' ' ALA . 41.9 mm -108.92 131.39 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 108.186 -1.042 . . . . 0.26000000000000001 108.186 179.25 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.493 HH11 ' HG2' ' A' ' 44' ' ' ARG . 24.3 mtt-85 -74.62 -59.46 2.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.616 -1.303 . . . . 2.0499999999999998 110.7 -179.172 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.687 HE22 ' NH2' ' A' ' 47' ' ' ARG . 73.6 mt-30 -81.93 138.19 35.03 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.212 -0.93 . . . . 1.22 110.22 -179.048 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.7 p -66.94 -38.76 86.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.298 -0.876 . . . . 0.34999999999999998 110.038 -179.464 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.687 ' NH2' HE22 ' A' ' 45' ' ' GLN . 30.6 ptt180 -53.75 -43.67 69.36 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.848 -1.157 . . . . 0.85999999999999999 108.43 179.494 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.429 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 95.7 m-20 -62.17 -31.75 72.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.512 -0.742 . . . . 0.33000000000000002 109.802 179.638 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.8 tp -60.11 -42.13 94.08 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 120.999 -1.063 . . . . 0.37 109.4 -179.987 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.561 HH11 ' HG2' ' A' ' 50' ' ' ARG . 19.8 mtt-85 -59.18 -37.4 77.3 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.519 -1.289 . . . . 3.2400000000000002 107.519 179.585 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -68.25 -37.42 80.75 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.111 -0.7 . . . . 0.45000000000000001 109.111 178.838 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -62.71 -39.91 95.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.316 -0.865 . . . . 0.33000000000000002 109.431 179.84 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.58 -43.19 97.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.943 -1.098 . . . . 0.44 110.173 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.704 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 79.9 mm-40 -72.7 -26.8 61.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.002 -1.062 . . . . 2.0800000000000001 112.12 -178.827 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.0 mt -90.34 -38.77 13.13 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.469 -1.395 . . . . 0.5 112.085 -177.387 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.563 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.6 mmm180 -108.42 8.56 27.52 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.072 -1.017 . . . . 2.21 113.316 -176.911 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 85.2 m-70 -152.56 -69.68 0.16 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 119.943 -1.723 . . . . 0.67000000000000004 111.38 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -81.54 20.94 0.84 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.18 -0.95 . . . . 0.88 109.724 -178.906 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.43 -0.794 . . . . 1.0700000000000001 109.222 -179.815 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 121.033 0.444 . . . . 0.93000000000000005 111.022 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -89.77 18.42 5.6 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 109.166 -0.679 . . . . 2.1000000000000001 109.166 178.445 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.628 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 27.7 m170 -77.26 -31.14 0.83 Allowed Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.333 -0.854 . . . . 3.25 111.52 -179.322 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.6 Cg_exo -54.16 149.61 35.46 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.605 1.537 . . . . 1.0 111.725 -179.496 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -76.95 171.71 17.48 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.267 1.978 . . . . 1.3700000000000001 112.864 -179.483 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.56 29.63 47.89 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 110.59 -1.004 . . . . 1.3 110.59 179.589 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 21' ' ' THR . 9.5 t -91.38 90.92 7.9 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.11 -1.229 . . . . 1.05 110.112 179.907 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -84.72 149.24 25.92 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.622 -0.881 . . . . 2.5899999999999999 108.622 178.89 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -105.21 81.37 0.61 Allowed Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.683 -0.636 . . . . 2.3199999999999998 109.537 179.858 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.9 136.09 40.26 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.044 1.163 . . . . 0.85999999999999999 110.778 179.433 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -67.65 -11.13 57.56 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.462 -0.774 . . . . 3.7400000000000002 110.16 -178.53 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.1 m -72.47 -5.35 36.17 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.98 -1.075 . . . . 0.87 110.639 -179.464 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.5 mmt-85 -102.5 -27.66 12.65 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.09 -1.007 . . . . 1.0600000000000001 109.836 -179.859 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.2 p -100.52 -30.61 11.7 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.92 -1.113 . . . . 0.66000000000000003 110.068 -179.219 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -72.93 -30.39 63.85 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.291 -0.88 . . . . 2.8199999999999998 109.923 178.848 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.2 m -54.9 -32.64 61.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.024 -1.047 . . . . 0.44 109.794 -179.475 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -96.19 151.52 19.42 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.053 -1.029 . . . . 1.3 110.308 -179.851 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -118.08 153.15 51.2 Favored Pre-proline 0 N--CA 1.496 1.857 0 N-CA-C 107.339 -1.356 . . . . 2.0699999999999998 107.339 178.257 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -47.93 151.25 3.98 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 121.507 1.471 . . . . 0.47999999999999998 111.297 -179.134 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -141.26 136.4 31.6 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.205 -0.934 . . . . 0.27000000000000002 110.032 -179.013 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.1 m -114.25 145.12 42.15 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 121.56 0.695 . . . . 0.39000000000000001 109.473 179.852 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -79.98 129.15 71.39 Favored Pre-proline 0 N--CA 1.492 1.647 0 N-CA-C 108.536 -0.913 . . . . 0.41999999999999998 108.536 179.259 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.09 -2.0 12.13 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.606 1.537 . . . . 0.80000000000000004 112.42 -179.252 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.9 mt -102.27 -61.28 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.559 -0.713 . . . . 0.53000000000000003 110.216 -179.561 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.6 p -110.5 17.51 20.7 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.887 -1.133 . . . . 0.46999999999999997 110.756 -179.321 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 55.78 16.47 2.03 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.505 -0.747 . . . . 0.66000000000000003 111.33 178.504 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.78 136.78 56.97 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 107.269 -1.382 . . . . 0.38 107.269 178.402 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 t -94.08 117.82 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.895 -1.128 . . . . 0.41999999999999998 110.24 -178.686 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.6 mm -113.61 128.16 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 108.115 -1.069 . . . . 0.26000000000000001 108.115 178.532 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.46 HH11 ' HG2' ' A' ' 44' ' ' ARG . 26.2 mtt-85 -72.37 -59.99 2.45 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.837 -1.164 . . . . 2.0499999999999998 111.076 -178.101 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -78.04 139.89 39.12 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.031 -1.043 . . . . 1.22 110.079 -179.273 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.4 p -66.38 -36.9 84.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.425 -0.797 . . . . 0.34999999999999998 109.598 179.699 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.494 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 10.1 ptp180 -58.44 -44.15 89.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.098 -1.002 . . . . 0.85999999999999999 108.505 -179.827 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.494 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 97.6 m-20 -63.7 -27.28 69.1 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.524 -0.735 . . . . 0.33000000000000002 109.98 179.733 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.4 tp -59.48 -49.92 75.93 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.619 -1.301 . . . . 0.37 109.186 -179.469 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.441 ' HG3' HH11 ' A' ' 50' ' ' ARG . 31.7 ttm-85 -58.64 -40.32 83.06 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 118.562 -1.255 . . . . 3.2400000000000002 108.733 -179.062 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -60.89 -38.45 85.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.333 -0.854 . . . . 0.45000000000000001 109.223 178.802 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -60.8 -35.46 76.53 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.028 -0.73 . . . . 0.33000000000000002 109.028 179.729 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.6 -44.53 93.35 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.159 -0.963 . . . . 0.44 109.436 179.786 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.669 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.0 mm-40 -72.99 -24.92 60.82 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.195 -0.94 . . . . 2.0800000000000001 112.446 -179.117 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.3 mt -88.52 -46.38 9.14 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.318 -1.488 . . . . 0.5 112.263 -177.33 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -105.94 17.27 23.89 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 120.934 -1.104 . . . . 2.21 112.627 -176.966 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -152.04 -74.96 0.14 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.204 -1.56 . . . . 0.67000000000000004 109.956 179.103 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -80.96 18.21 1.06 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.444 -0.785 . . . . 0.88 110.224 -179.297 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.33 -0.856 . . . . 1.0700000000000001 109.175 179.822 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.735 0 N-CA-C 109.751 -0.463 . . . . 0.93000000000000005 109.751 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -93.2 15.6 15.0 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.338 -0.851 . . . . 2.1000000000000001 109.59 179.0 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.639 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 39.2 t-80 -80.34 -31.41 0.64 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.296 -0.877 . . . . 3.25 112.317 -178.45 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 83.1 Cg_exo -51.63 146.33 27.14 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.996 1.797 . . . . 1.0 112.278 -178.628 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.41 174.16 12.26 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.303 2.002 . . . . 1.3700000000000001 112.373 179.271 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.57 28.87 66.63 Favored Glycine 0 N--CA 1.489 2.208 0 C-N-CA 119.971 -1.109 . . . . 1.3 110.498 179.317 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -90.94 87.73 6.74 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.886 -1.361 . . . . 1.05 109.297 179.872 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -80.25 139.69 36.57 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.338 -0.986 . . . . 2.5899999999999999 108.338 179.012 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -90.31 112.57 53.44 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.321 -0.862 . . . . 2.3199999999999998 110.446 -179.238 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -85.78 133.42 4.33 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.076 1.851 . . . . 0.85999999999999999 111.466 179.207 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -69.05 -10.93 60.04 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.118 -0.989 . . . . 3.7400000000000002 110.155 -179.498 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -71.43 -6.64 41.81 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.059 -1.025 . . . . 0.87 109.326 179.364 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.562 HH11 ' HG2' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -104.14 -25.53 12.91 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.237 -0.915 . . . . 1.0600000000000001 109.882 179.67 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -105.11 -35.89 7.46 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.378 -0.826 . . . . 0.66000000000000003 109.309 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -60.42 -33.84 73.08 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.387 -0.82 . . . . 2.8199999999999998 108.941 179.581 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -67.64 -22.22 65.33 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.673 -0.642 . . . . 0.44 109.636 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -91.44 138.41 31.6 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.266 -0.896 . . . . 1.3 110.089 -178.859 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.6 mp0 -120.28 153.28 55.73 Favored Pre-proline 0 N--CA 1.503 2.208 0 O-C-N 121.52 -0.737 . . . . 2.0699999999999998 109.1 179.725 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -44.29 151.81 0.5 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.754 1.636 . . . . 0.47999999999999998 111.639 179.602 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 43' ' ' ILE . . . -147.06 127.58 14.11 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.438 -0.789 . . . . 0.27000000000000002 109.474 -179.981 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.7 m -110.62 152.56 26.32 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.316 -0.865 . . . . 0.39000000000000001 109.782 -179.579 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.7 t -87.66 128.63 53.81 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.946 . . . . 0.41999999999999998 109.325 -179.965 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.34 -0.68 10.36 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 121.4 1.4 . . . . 0.80000000000000004 113.012 -179.632 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.9 mt -105.65 -60.56 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 121.027 -1.045 . . . . 0.53000000000000003 111.116 -179.306 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.2 p -108.98 15.27 23.53 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.193 -0.942 . . . . 0.46999999999999997 110.097 -178.652 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 55.07 20.29 3.19 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.477 -0.765 . . . . 0.66000000000000003 111.329 179.58 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.588 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.0 135.83 57.75 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.433 -1.321 . . . . 0.38 107.433 178.12 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 t -94.7 113.47 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.939 -1.1 . . . . 0.41999999999999998 110.349 -178.692 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 34' ' ' ALA . 33.6 mm -110.75 129.89 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 N-CA-C 107.664 -1.236 . . . . 0.26000000000000001 107.664 177.908 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.566 HH11 ' HG2' ' A' ' 44' ' ' ARG . 19.6 mtt-85 -72.37 -60.13 2.38 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.828 -1.17 . . . . 2.0499999999999998 110.278 -179.072 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.525 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 86.5 mt-30 -77.97 137.86 38.54 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.918 -1.114 . . . . 1.22 110.691 -179.092 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.5 p -67.82 -37.78 82.41 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.545 -0.722 . . . . 0.34999999999999998 110.686 -179.718 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.525 ' NH2' ' OE1' ' A' ' 45' ' ' GLN . 26.3 ptt180 -59.92 -38.36 82.13 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.048 -1.032 . . . . 0.85999999999999999 108.972 -179.437 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.413 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 86.1 m-20 -68.06 -28.49 67.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.232 -0.918 . . . . 0.33000000000000002 109.204 179.358 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.07 -45.99 91.06 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.371 -0.831 . . . . 0.37 109.662 179.766 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -59.74 -39.17 83.85 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.572 -1.27 . . . . 3.2400000000000002 107.572 -179.706 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -63.63 -35.47 80.64 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.747 -0.781 . . . . 0.45000000000000001 108.958 178.534 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -63.48 -35.94 82.13 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.463 -0.773 . . . . 0.33000000000000002 109.048 -179.959 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.91 -40.95 90.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.44 -0.788 . . . . 0.44 109.223 179.443 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.849 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.3 mm-40 -74.21 -22.97 59.15 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.218 -0.927 . . . . 2.0800000000000001 111.991 -179.127 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.5 mt -92.67 -44.61 8.47 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 120.545 -1.347 . . . . 0.5 112.522 -178.179 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.526 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 16.4 mmm180 -105.13 16.46 25.77 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.774 -1.204 . . . . 2.21 112.685 -177.251 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.526 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.7 m-70 -152.52 -71.29 0.15 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.28 -1.513 . . . . 0.67000000000000004 111.145 179.945 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -79.86 9.23 5.52 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.154 -0.966 . . . . 0.88 109.68 -179.12 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.849 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.338 -0.852 . . . . 1.0700000000000001 109.324 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.48 3.349 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.554 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.731 3.663 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.554 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.089 0 O4'-C1'-N19 110.337 3.171 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.495 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.629 1 O4'-C1'-N19 111.019 4.023 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.495 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.201 0 O4'-C1'-N19 110.899 3.874 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.56 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.962 0 C3'-C2'-C1' 106.978 3.056 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.56 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.849 0 C3'-C2'-C1' 107.168 3.192 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.473 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.97 1 O4'-C1'-N19 111.393 4.491 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.43 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.28 0 O4'-C1'-N19 110.51 3.388 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.577 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.542 3.864 0 C3'-C2'-C1' 107.125 3.16 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.577 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.201 0 O4'-C1'-N19 110.758 3.697 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.758 1 O4'-C1'-N19 111.115 4.144 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O4'-C1'-N19 110.547 3.434 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.406 ' C5 ' ' N4 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.971 1 O4'-C1'-N19 111.305 4.381 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.462 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.384 0 C3'-C2'-C1' 106.906 3.004 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.462 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.662 0 O4'-C1'-N19 110.329 3.162 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.415 ' O2 ' ' NH1' ' A' ' 14' ' ' ARG . . . . . . . . 1 C5'--C4' 1.544 4.125 1 O4'-C1'-N19 111.871 5.089 . . . . 1.95 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.452 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.925 0 O4'-C1'-N19 110.864 3.83 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.452 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.395 1 O4'-C1'-N19 111.095 4.118 . . . . 0.64000000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.544 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.955 1 O4'-C1'-N19 111.362 4.453 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.544 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.44 0 O4'-C1'-N19 110.855 3.818 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 0 O4'-C1'-N19 110.645 3.557 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 N--CA 1.494 1.509 0 CA-C-O 121.241 0.434 . . . . 7.5599999999999996 112.15 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -79.43 151.32 30.95 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.483 -0.932 . . . . 7.46 108.483 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.67 154.81 37.83 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.066 -1.022 . . . . 4.04 109.663 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -79.77 163.07 24.74 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.265 -0.897 . . . . 4.4900000000000002 109.298 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.415 ' NH1' ' O2 ' ' C' ' 117' ' ' ' DC' . 87.4 mtt180 -81.82 93.54 6.88 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.083 -1.01 . . . . 0.79000000000000004 109.651 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.28 131.39 44.03 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.368 -0.832 . . . . 0.93000000000000005 109.868 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -92.14 11.68 24.7 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 107.94 -1.133 . . . . 2.1000000000000001 107.94 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.602 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 8.4 t-80 -82.16 -31.59 0.56 Allowed Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.492 -0.755 . . . . 3.25 112.912 -177.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.9 Cg_exo -53.15 154.23 14.43 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.861 1.707 . . . . 1.0 112.158 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.72 164.67 34.65 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.448 2.099 . . . . 1.3700000000000001 112.467 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.28 37.73 47.58 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 109.509 -1.437 . . . . 1.3 109.509 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 21' ' ' THR . 11.0 t -93.29 85.38 4.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.113 -1.227 . . . . 1.05 108.555 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -81.79 144.36 31.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.943 -1.098 . . . . 2.5899999999999999 109.286 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -106.67 76.61 0.44 Allowed Pre-proline 0 N--CA 1.495 1.775 0 O-C-N 121.522 -0.736 . . . . 2.3199999999999998 110.211 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.35 142.71 41.7 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.849 1.7 . . . . 0.85999999999999999 111.679 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -73.53 -5.85 42.77 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.43 -0.794 . . . . 3.7400000000000002 109.545 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 m -66.77 -1.87 4.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.036 -1.04 . . . . 0.87 109.194 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.473 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 28.5 mmt180 -105.7 -27.76 11.12 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.159 -0.963 . . . . 1.0600000000000001 109.07 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.1 p -101.66 -35.05 9.24 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.484 -0.76 . . . . 0.66000000000000003 109.049 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -59.55 -39.48 84.13 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.504 -0.747 . . . . 2.8199999999999998 109.813 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.6 m -60.18 -29.76 68.9 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.232 -0.918 . . . . 0.44 111.28 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.452 ' CG ' HH21 ' A' ' 47' ' ' ARG . 81.2 mm-40 -95.15 145.4 25.04 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.86 -1.15 . . . . 1.3 110.185 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -119.05 151.72 50.93 Favored Pre-proline 0 N--CA 1.5 2.04 0 N-CA-C 108.33 -0.989 . . . . 2.0699999999999998 108.33 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -38.93 156.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.159 0 C-N-CA 121.865 1.71 . . . . 0.47999999999999998 112.04 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.503 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -147.49 135.99 21.77 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.181 -0.949 . . . . 0.27000000000000002 110.035 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 m -116.4 149.65 39.06 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.706 -0.621 . . . . 0.39000000000000001 109.524 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.2 t -88.11 127.24 58.17 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 121.311 -0.868 . . . . 0.41999999999999998 108.669 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.15 -6.17 17.62 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 121.111 1.208 . . . . 0.80000000000000004 111.911 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.8 mt -97.2 -55.92 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.236 -0.915 . . . . 0.53000000000000003 111.118 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.9 p -115.63 15.64 16.54 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.327 -0.858 . . . . 0.46999999999999997 109.891 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 55.3 19.98 3.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.503 -0.748 . . . . 0.66000000000000003 111.054 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.606 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.33 140.04 57.33 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.332 -1.359 . . . . 0.38 107.332 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.63 111.62 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 O-C-N 120.848 -1.157 . . . . 0.41999999999999998 110.988 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.0 mm -109.62 129.99 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 N-CA-C 107.758 -1.201 . . . . 0.26000000000000001 107.758 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -70.86 -56.39 6.4 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.914 -1.116 . . . . 2.0499999999999998 111.281 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.46 133.22 35.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.331 -0.856 . . . . 1.22 111.032 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -61.99 -36.97 83.1 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.359 -0.838 . . . . 0.34999999999999998 109.669 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.5 ptp180 -60.17 -43.04 96.15 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.586 -1.321 . . . . 0.85999999999999999 108.756 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.459 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 96.2 m-20 -64.49 -28.68 69.82 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.325 -0.859 . . . . 0.33000000000000002 109.381 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.503 HD22 ' HB1' ' A' ' 34' ' ' ALA . 54.5 tp -59.44 -45.33 91.88 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.836 -1.165 . . . . 0.37 109.342 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -58.29 -41.97 85.54 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.983 -1.073 . . . . 3.2400000000000002 109.196 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 40.8 ttp180 -62.05 -37.37 84.71 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.404 -0.81 . . . . 0.45000000000000001 109.33 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -61.39 -32.87 72.81 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.238 -0.914 . . . . 0.33000000000000002 108.923 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.7 mt -60.01 -49.26 78.38 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.085 -1.009 . . . . 0.44 109.115 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.637 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 14.6 mp0 -70.45 -24.42 62.88 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.085 -1.009 . . . . 2.0800000000000001 111.05 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.26 -59.66 2.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.657 -1.277 . . . . 0.5 111.681 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 18.8 mmm180 -103.53 21.03 16.8 Favored 'General case' 0 N--CA 1.511 2.622 0 O-C-N 120.673 -1.267 . . . . 2.21 113.156 -177.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 91.8 m-70 -150.9 -73.26 0.16 Allowed 'General case' 0 N--CA 1.509 2.486 0 O-C-N 119.964 -1.71 . . . . 0.67000000000000004 110.6 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -84.13 25.16 0.86 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.105 -0.997 . . . . 0.88 110.031 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -72.17 2.67 5.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.421 -0.8 . . . . 1.0700000000000001 109.83 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -86.82 156.55 55.44 Favored Pre-proline 0 N--CA 1.499 2.023 0 O-C-N 121.073 -1.017 . . . . 3.6499999999999999 109.6 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -48.61 138.23 25.32 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 121.754 1.636 . . . . 2.3300000000000001 111.988 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.51 0.76 74.67 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.661 -1.376 . . . . 3.27 109.661 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.6 t . . . . . 0 N--CA 1.497 1.899 0 O-C-N 121.509 -0.995 . . . . 5.1799999999999997 109.841 -179.373 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.784 0 O4'-C1'-N19 110.509 3.386 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.487 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.675 0 O4'-C1'-N19 110.617 3.521 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.487 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.772 0 O4'-C1'-N19 110.874 3.843 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.308 0 O4'-C1'-N19 110.787 3.733 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.483 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.532 2.61 1 O4'-C1'-N19 112.082 5.352 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.546 ' N2 ' ' C2 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.782 0 C3'-C2'-C1' 107.034 3.096 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.546 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.979 0 O4'-C1'-N19 110.512 3.39 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.437 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.847 1 O4'-C1'-N19 111.806 5.008 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.694 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.304 0 C3'-C2'-C1' 106.841 2.958 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.694 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.267 0 O4'-C1'-N19 110.433 3.291 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.523 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.969 0 O4'-C1'-N19 110.949 3.937 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 1 O4'-C1'-N19 111.047 4.059 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.578 0 O4'-C1'-N19 110.412 3.265 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.546 H2'' " O5'" ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.901 0 C3'-C2'-C1' 106.938 3.027 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.546 " O5'" H2'' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.714 0 C3'-C2'-C1' 106.702 2.859 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.493 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.12 0 O4'-C1'-N19 110.612 3.515 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.493 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.037 1 O4'-C1'-N19 111.044 4.055 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.199 1 O4'-C1'-N19 111.336 4.42 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.521 3.401 . . . . 0.64000000000000001 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.446 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.043 0 O4'-C1'-N19 110.911 3.889 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.453 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.566 0 O4'-C1'-N19 110.459 3.323 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . 0.453 " O5'" H2'' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.556 0 O4'-C1'-N19 110.834 3.793 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo . . . . . 0 N--CA 1.495 1.604 0 CA-C-O 121.043 0.351 . . . . 7.5599999999999996 111.991 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -151.86 -2.35 0.29 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.308 -0.87 . . . . 7.46 109.22 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.7 108.33 4.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.115 -0.99 . . . . 4.04 109.216 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -80.35 -130.0 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.758 -0.83 . . . . 4.4900000000000002 108.758 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.408 ' NH1' ' HG2' ' A' ' 14' ' ' ARG . 7.7 mtt-85 -83.5 94.25 7.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.902 . . . . 0.79000000000000004 108.789 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.86 133.24 36.27 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.553 -0.717 . . . . 0.93000000000000005 110.735 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -90.44 3.36 54.07 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 109.01 -0.737 . . . . 2.1000000000000001 109.01 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.578 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 14.2 m-70 -74.71 -30.79 1.08 Allowed Pre-proline 0 N--CA 1.498 1.951 0 O-C-N 121.172 -0.955 . . . . 3.25 113.419 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 63.5 Cg_exo -54.0 144.84 55.2 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 121.493 1.462 . . . . 1.0 112.402 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.99 171.37 18.09 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.46 2.107 . . . . 1.3700000000000001 112.326 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.18 27.7 65.66 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 110.194 -1.162 . . . . 1.3 110.194 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.76 HG23 ' O ' ' A' ' 21' ' ' THR . 9.8 t -89.72 90.93 8.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.184 -1.186 . . . . 1.05 108.663 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -78.93 140.79 37.99 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.036 -1.04 . . . . 2.5899999999999999 109.419 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -106.26 74.03 0.32 Allowed Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.711 -0.618 . . . . 2.3199999999999998 109.715 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.42 148.4 87.99 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 121.675 1.583 . . . . 0.85999999999999999 111.015 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.439 ' HG2' HH11 ' A' ' 25' ' ' ARG . 41.9 mtt-85 -71.08 -6.36 38.58 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.655 -1.278 . . . . 3.7400000000000002 110.522 -178.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 m -74.01 -0.75 17.32 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.028 -1.045 . . . . 0.87 109.691 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.437 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 30.0 mmt180 -102.78 -29.1 11.69 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.095 -1.003 . . . . 1.0600000000000001 110.841 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 p -105.63 -39.69 6.0 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.071 -1.018 . . . . 0.66000000000000003 110.347 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -64.14 -28.75 69.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.006 -1.059 . . . . 2.8199999999999998 109.746 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.637 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 48.3 m -59.02 -30.0 67.68 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.322 -0.861 . . . . 0.44 109.582 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -95.95 142.67 27.91 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.299 -1.0 . . . . 1.3 108.299 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.637 ' NE2' ' O ' ' A' ' 30' ' ' SER . 22.7 mp0 -113.25 150.52 43.17 Favored Pre-proline 0 N--CA 1.501 2.077 0 N-CA-C 108.935 -0.765 . . . . 2.0699999999999998 108.935 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -39.79 154.39 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.16 0 C-N-CA 121.89 1.727 . . . . 0.47999999999999998 112.081 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.93 132.85 21.27 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.146 -0.972 . . . . 0.27000000000000002 110.649 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 36' ' ' CYS . 29.5 m -112.7 159.78 18.58 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.98 -0.748 . . . . 0.39000000000000001 108.98 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' TYR . 7.5 t -106.6 103.09 44.94 Favored Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.242 -0.911 . . . . 0.41999999999999998 110.448 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -54.49 -4.09 0.29 Allowed 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.057 1.838 . . . . 0.80000000000000004 113.551 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -97.43 -53.66 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 120.755 -1.215 . . . . 0.53000000000000003 110.251 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.5 p -118.27 12.11 13.34 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-O 121.833 0.825 . . . . 0.46999999999999997 108.848 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' CYS . 80.3 m-85 55.31 19.17 2.86 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 116.122 -0.49 . . . . 0.66000000000000003 110.725 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.596 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.49 140.28 54.26 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.799 -1.188 . . . . 0.38 107.901 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -95.19 114.54 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.199 -0.938 . . . . 0.41999999999999998 109.65 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 34' ' ' ALA . 30.1 mm -110.93 129.05 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 107.002 -1.481 . . . . 0.26000000000000001 107.002 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -74.13 -62.96 1.33 Allowed 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 117.931 -1.507 . . . . 2.0499999999999998 109.652 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.483 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 88.8 mt-30 -76.25 138.33 40.51 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.276 -0.89 . . . . 1.22 110.915 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.6 p -68.1 -35.13 77.65 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.406 -0.809 . . . . 0.34999999999999998 110.57 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 12.6 ptp180 -58.95 -39.75 82.61 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.817 -1.177 . . . . 0.85999999999999999 108.179 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 97.9 m-20 -64.77 -31.37 72.57 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.609 -0.682 . . . . 0.33000000000000002 109.332 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.35 -43.04 88.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.37 108.927 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -59.41 -40.69 87.48 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.295 -1.002 . . . . 3.2400000000000002 108.295 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -67.42 -36.4 81.17 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.964 -0.694 . . . . 0.45000000000000001 109.479 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -65.7 -38.72 89.99 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.564 -0.71 . . . . 0.33000000000000002 109.833 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' PHE . 94.0 mt -59.67 -41.67 91.14 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.002 -1.061 . . . . 0.44 109.376 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.756 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 70.1 mm-40 -73.27 -24.72 60.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.408 -0.807 . . . . 2.0800000000000001 111.715 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.3 mt -85.69 -42.92 13.85 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.431 -1.418 . . . . 0.5 113.093 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.563 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.7 mmm180 -107.15 -0.29 22.88 Favored 'General case' 0 N--CA 1.506 2.351 0 O-C-N 120.858 -1.152 . . . . 2.21 112.725 -176.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 32.6 m-70 -145.64 -65.73 0.31 Allowed 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.536 -1.352 . . . . 0.67000000000000004 111.532 -178.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' LEU . 54.0 m-85 -81.97 20.08 1.04 Allowed 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.004 -1.06 . . . . 0.88 110.24 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -70.96 2.39 4.43 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 107.929 -1.137 . . . . 1.0700000000000001 107.929 178.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 58' ' ' PHE . 8.8 mtpm? -88.88 154.71 50.13 Favored Pre-proline 0 N--CA 1.488 1.455 0 N-CA-C 108.777 -0.823 . . . . 3.6499999999999999 108.777 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -46.36 155.35 0.71 Allowed 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.931 1.754 . . . . 2.3300000000000001 112.263 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -45.92 117.12 2.44 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 110.79 -0.924 . . . . 3.27 110.79 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.425 -1.044 . . . . 5.1799999999999997 109.867 179.858 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.442 0 O4'-C1'-N19 110.528 3.41 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.631 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.775 0 O4'-C1'-N19 110.6 3.5 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.631 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.825 0 O4'-C1'-N19 110.772 3.716 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.04 0 O4'-C1'-N19 110.966 3.958 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 1 O4'-C1'-N19 111.395 4.494 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 O4'-C1'-N19 110.346 3.183 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.52 ' OP1' ' N ' ' A' ' 22' ' ' GLU . . . . . . . . 0 C5'--C4' 1.531 2.491 0 O4'-C1'-N19 110.852 3.815 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.477 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.447 1 O4'-C1'-N19 111.541 4.677 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.469 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.079 0 O4'-C1'-N19 110.772 3.716 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.469 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.259 0 O4'-C1'-N19 110.561 3.452 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.484 1 O4'-C1'-N19 111.14 4.175 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.319 1 O4'-C1'-N19 111.033 4.041 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.283 0 C3'-C2'-C1' 107.086 3.133 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.537 ' C5 ' ' C4 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.96 3.95 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.537 ' C4 ' ' C5 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.066 0 O4'-C1'-N19 110.636 3.545 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.584 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.657 0 O4'-C1'-N19 110.615 3.519 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.584 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.715 1 O4'-C1'-N19 111.14 4.176 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.426 1 O4'-C1'-N19 111.06 4.075 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O4'-C1'-N19 110.775 3.719 . . . . 0.64000000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.597 1 O4'-C1'-N19 111.069 4.087 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.259 1 O4'-C1'-N19 111.171 4.213 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.763 0 C3'-C2'-C1' 106.997 3.069 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo . . . . . 0 N--CA 1.492 1.396 0 CA-C-O 120.92 0.3 . . . . 7.5599999999999996 111.657 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -79.69 158.16 27.03 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.71 -1.244 . . . . 7.46 109.264 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.49 4.93 0.11 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.311 -0.868 . . . . 4.04 108.853 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -81.54 155.91 25.51 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.556 -0.715 . . . . 4.4900000000000002 109.483 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -80.14 96.48 6.54 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.214 -0.929 . . . . 0.79000000000000004 108.758 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.2 132.69 37.12 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.652 -0.655 . . . . 0.93000000000000005 110.102 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -95.12 9.21 40.46 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.333 -0.855 . . . . 2.1000000000000001 108.925 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.6 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 14.0 m-70 -84.03 -31.8 0.49 Allowed Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.479 -0.763 . . . . 3.25 112.886 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 61.4 Cg_exo -52.31 139.24 54.85 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 121.695 1.596 . . . . 1.0 112.177 -178.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.79 177.95 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.11 1.207 . . . . 1.3700000000000001 111.54 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.98 26.09 69.79 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 120.178 -1.011 . . . . 1.3 110.976 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 21' ' ' THR . 14.6 t -90.93 97.53 11.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.76 -1.435 . . . . 1.05 109.218 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.52 ' N ' ' OP1' ' B' ' 107' ' ' ' DA' . 72.6 mm-40 -82.25 149.7 27.7 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.277 -0.89 . . . . 2.5899999999999999 109.964 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -107.07 76.03 0.45 Allowed Pre-proline 0 N--CA 1.505 2.275 0 O-C-N 121.354 -0.841 . . . . 2.3199999999999998 110.025 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -74.38 134.84 19.49 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.879 1.72 . . . . 0.85999999999999999 112.726 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -74.92 -14.41 60.64 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.394 -0.816 . . . . 3.7400000000000002 109.325 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.7 m -71.78 -11.65 60.92 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.885 -1.134 . . . . 0.87 110.889 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.477 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 1.1 mmt-85 -95.64 -13.57 24.2 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.808 -1.183 . . . . 1.0600000000000001 111.493 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 p -108.96 -43.46 4.2 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.034 -1.041 . . . . 0.66000000000000003 109.112 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -62.3 -36.56 82.51 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 121.21 0.529 . . . . 2.8199999999999998 110.904 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.449 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 52.4 m -52.58 -31.86 38.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.348 -0.845 . . . . 0.44 110.301 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -95.74 142.18 28.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.227 -0.921 . . . . 1.3 109.183 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.559 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 3.7 mp0 -115.2 152.82 47.16 Favored Pre-proline 0 N--CA 1.502 2.164 0 N-CA-C 108.627 -0.879 . . . . 2.0699999999999998 108.627 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -40.12 154.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.149 0 C-N-CA 121.737 1.624 . . . . 0.47999999999999998 112.135 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -148.18 140.18 24.01 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.152 -0.967 . . . . 0.27000000000000002 110.796 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 36' ' ' CYS . 88.2 m -116.24 164.72 14.08 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.317 -0.623 . . . . 0.39000000000000001 109.317 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.581 ' N ' HG22 ' A' ' 35' ' ' THR . 1.8 t -106.1 103.67 46.04 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.534 -0.729 . . . . 0.41999999999999998 109.238 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -54.1 -4.59 0.28 Allowed 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.959 1.773 . . . . 0.80000000000000004 113.258 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.1 mt -97.07 -55.27 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 120.794 -1.191 . . . . 0.53000000000000003 110.254 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.7 p -117.36 12.45 14.27 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.224 -0.922 . . . . 0.46999999999999997 108.74 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' CYS . 95.9 m-85 55.9 22.25 5.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.858 -0.526 . . . . 0.66000000000000003 111.265 178.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.58 141.6 54.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.459 -1.4 . . . . 0.38 107.397 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.59 109.52 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.038 -1.039 . . . . 0.41999999999999998 109.68 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' ALA . 28.2 mm -109.94 130.17 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 N-CA-C 108.095 -1.076 . . . . 0.26000000000000001 108.095 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.418 ' HG2' HH11 ' A' ' 44' ' ' ARG . 20.3 mtt-85 -73.39 -63.51 1.18 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.875 -1.14 . . . . 2.0499999999999998 111.389 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -78.39 133.51 37.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.98 -1.075 . . . . 1.22 109.7 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.7 p -63.35 -31.12 72.19 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.357 -0.84 . . . . 0.34999999999999998 110.319 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.7 ptp180 -60.88 -41.61 96.34 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.92 -1.113 . . . . 0.85999999999999999 108.658 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.454 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 96.4 m-20 -65.45 -30.07 70.82 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.595 -0.691 . . . . 0.33000000000000002 109.564 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.0 tp -57.76 -47.18 83.24 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 119.06 -1.056 . . . . 0.37 108.792 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -56.34 -42.24 77.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.888 -1.132 . . . . 3.2400000000000002 108.091 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -62.96 -39.03 93.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.506 -0.746 . . . . 0.45000000000000001 109.078 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -61.81 -38.37 87.88 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.342 -0.849 . . . . 0.33000000000000002 109.71 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' PHE . 90.3 mt -59.64 -42.19 92.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.04 -1.038 . . . . 0.44 109.445 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.62 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 96.2 mt-10 -72.04 -29.37 64.1 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.32 -0.863 . . . . 2.0800000000000001 111.534 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.0 mt -87.63 -14.75 39.19 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.754 -1.216 . . . . 0.5 112.103 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.575 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 24.0 mmm180 -134.59 -1.59 2.79 Favored 'General case' 0 N--CA 1.507 2.424 0 O-C-N 120.591 -1.318 . . . . 2.21 112.373 -178.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 44.7 m-70 -148.18 -60.06 0.25 Allowed 'General case' 0 N--CA 1.507 2.387 0 O-C-N 120.326 -1.484 . . . . 0.67000000000000004 110.488 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 53' ' ' LEU . 30.4 m-85 -80.11 18.08 0.91 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.656 -1.277 . . . . 0.88 108.957 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.02 3.73 3.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.595 -0.691 . . . . 1.0700000000000001 110.35 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -85.72 146.33 43.58 Favored Pre-proline 0 N--CA 1.495 1.808 0 O-C-N 120.988 -1.07 . . . . 3.6499999999999999 109.649 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.61 163.88 35.2 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.374 2.049 . . . . 2.3300000000000001 112.475 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.24 -80.72 0.06 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.82 -1.312 . . . . 3.27 109.82 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 117.89 -1.053 . . . . 5.1799999999999997 109.473 -179.646 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.823 0 C3'-C2'-C1' 106.982 3.059 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.612 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.937 0 C3'-C2'-C1' 106.988 3.063 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.612 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.426 0 O4'-C1'-N19 110.775 3.718 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.568 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.344 0 O4'-C1'-N19 110.803 3.753 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.441 ' C2 ' ' C2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.259 1 O4'-C1'-N19 111.747 4.934 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.403 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.504 3.38 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.403 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.084 0 O4'-C1'-N19 110.528 3.41 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.432 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.321 1 O4'-C1'-N19 111.139 4.174 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.579 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.645 0 C3'-C2'-C1' 107.173 3.195 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.579 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.376 0 O4'-C1'-N19 110.554 3.442 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.527 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.901 1 O4'-C1'-N19 111.373 4.467 . . . . 0.95999999999999996 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.315 1 O4'-C1'-N19 111.032 4.04 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.43 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.449 0 C3'-C2'-C1' 106.931 3.022 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.43 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.132 1 O4'-C1'-N19 111.238 4.297 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.563 0 O4'-C1'-N19 110.39 3.237 . . . . 0.53000000000000003 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.47 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.941 0 O4'-C1'-N19 110.633 3.542 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.532 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.621 1 O4'-C1'-N19 111.177 4.221 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.532 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.399 1 O4'-C1'-N19 111.9 5.125 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.112 1 O4'-C1'-N19 111.297 4.371 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.683 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.937 1 O4'-C1'-N19 111.274 4.342 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.683 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.8 0 O4'-C1'-N19 110.934 3.917 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.732 0 O4'-C1'-N19 110.653 3.567 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo . . . . . 0 N--CA 1.487 1.139 0 CA-C-O 121.229 0.429 . . . . 7.5599999999999996 111.919 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.09 150.21 26.43 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.142 -0.974 . . . . 7.46 109.392 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.88 150.76 46.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.926 -1.109 . . . . 4.04 108.667 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -86.51 -73.99 0.44 Allowed 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.957 -1.127 . . . . 4.4900000000000002 107.957 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -91.88 93.39 8.8 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 121.746 0.784 . . . . 0.79000000000000004 108.99 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.36 132.11 37.01 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.709 0.766 . . . . 0.93000000000000005 110.485 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -95.51 3.96 53.67 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.516 -0.74 . . . . 2.1000000000000001 109.422 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.618 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 28.9 m170 -81.35 -30.58 0.55 Allowed Pre-proline 0 N--CA 1.496 1.845 0 O-C-N 121.087 -1.008 . . . . 3.25 112.811 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 71.8 Cg_exo -49.93 149.67 10.97 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 121.827 1.684 . . . . 1.0 112.308 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.22 166.84 28.88 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.105 1.87 . . . . 1.3700000000000001 112.566 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.22 23.61 68.06 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 110.274 -1.13 . . . . 1.3 110.274 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 21' ' ' THR . 12.2 t -89.36 94.12 9.78 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.786 -1.42 . . . . 1.05 108.71 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -78.42 142.35 37.63 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.03 -1.044 . . . . 2.5899999999999999 108.892 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -104.44 71.03 0.18 Allowed Pre-proline 0 N--CA 1.499 1.991 0 O-C-N 121.462 -0.774 . . . . 2.3199999999999998 109.66 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.05 136.36 56.06 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.46 1.44 . . . . 0.85999999999999999 111.038 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -69.26 -10.94 60.17 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.032 -0.729 . . . . 3.7400000000000002 109.032 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.2 m -69.0 -6.25 26.67 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.288 -0.882 . . . . 0.87 109.599 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 31.8 mmt-85 -98.98 -21.51 16.21 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.181 -0.949 . . . . 1.0600000000000001 110.508 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.2 p -108.62 -32.69 7.27 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.039 -1.038 . . . . 0.66000000000000003 109.537 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.27 -37.72 81.33 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.255 -0.903 . . . . 2.8199999999999998 109.506 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.5 m -54.08 -33.28 57.13 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.504 -0.878 . . . . 0.44 109.64 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HG3' HH21 ' A' ' 47' ' ' ARG . 74.9 mm-40 -96.53 137.57 35.41 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.775 -1.203 . . . . 1.3 110.059 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -115.6 152.54 47.32 Favored Pre-proline 0 N--CA 1.495 1.781 0 N-CA-C 108.987 -0.746 . . . . 2.0699999999999998 108.987 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -34.64 152.72 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.32 0 C-N-CA 122.552 2.168 . . . . 0.47999999999999998 112.66 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -145.98 132.39 19.66 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.125 -0.984 . . . . 0.27000000000000002 110.065 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.8 m -115.61 144.58 43.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.488 -0.758 . . . . 0.39000000000000001 109.828 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.1 t -85.14 126.36 67.76 Favored Pre-proline 0 C--N 1.299 -1.611 0 N-CA-C 108.159 -1.052 . . . . 0.41999999999999998 108.159 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.23 -1.34 11.52 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 120.814 1.009 . . . . 0.80000000000000004 112.59 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.3 mt -99.87 -40.42 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.187 -0.946 . . . . 0.53000000000000003 110.385 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.7 p -132.28 20.98 4.4 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.316 -0.865 . . . . 0.46999999999999997 109.796 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 48.43 20.97 0.34 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.601 -0.687 . . . . 0.66000000000000003 111.372 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.553 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -61.4 139.94 58.11 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.612 -1.625 . . . . 0.38 106.612 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.74 114.32 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.805 -1.184 . . . . 0.41999999999999998 110.143 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' ALA . 36.1 mm -109.63 127.46 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.594 -1.261 . . . . 0.26000000000000001 107.594 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -72.56 -59.66 2.61 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.179 -1.008 . . . . 2.0499999999999998 109.62 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -79.56 137.57 37.2 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.138 -1.025 . . . . 1.22 110.267 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 p -66.28 -39.24 89.27 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.458 0.647 . . . . 0.34999999999999998 109.683 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.451 HH21 ' HG3' ' A' ' 31' ' ' GLU . 10.1 ptp180 -54.94 -39.85 69.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.858 -1.151 . . . . 0.85999999999999999 109.678 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.5 m-20 -67.53 -29.7 69.17 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.225 -0.922 . . . . 0.33000000000000002 109.219 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.8 tp -57.4 -44.0 84.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.31 -0.869 . . . . 0.37 108.902 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -59.98 -39.43 85.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.101 -0.999 . . . . 3.2400000000000002 108.57 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 44.0 ttp180 -69.48 -36.54 76.62 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.485 -0.759 . . . . 0.45000000000000001 109.571 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -59.95 -39.66 86.34 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.932 . . . . 0.33000000000000002 109.16 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.98 -39.87 96.02 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.991 -1.068 . . . . 0.44 110.329 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.785 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 76.9 mm-40 -74.48 -26.95 60.34 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.548 -0.72 . . . . 2.0800000000000001 112.042 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.9 mt -95.51 -36.86 11.13 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.967 -1.083 . . . . 0.5 112.157 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.43 HH11 ' HG3' ' A' ' 56' ' ' ARG . 17.6 mmm-85 -105.47 8.29 33.42 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.78 -1.2 . . . . 2.21 113.02 -177.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -150.87 -69.26 0.18 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.116 -1.615 . . . . 0.67000000000000004 110.722 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -80.22 12.09 3.11 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.591 -0.693 . . . . 0.88 109.791 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.785 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -73.78 -5.93 43.83 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 119.682 -0.807 . . . . 1.0700000000000001 109.563 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -90.78 148.78 39.12 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 121.083 -1.011 . . . . 3.6499999999999999 109.399 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.437 ' O ' ' O ' ' A' ' 62' ' ' GLY . 73.0 Cg_endo -73.71 166.74 28.98 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.181 1.921 . . . . 2.3300000000000001 112.201 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 61' ' ' PRO . . . -61.67 -124.91 0.01 OUTLIER Glycine 0 N--CA 1.485 1.925 0 N-CA-C 109.754 -1.338 . . . . 3.27 109.754 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 117.734 -1.127 . . . . 5.1799999999999997 108.645 -179.849 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.592 0 O4'-C1'-N19 110.688 3.61 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.6 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.337 3.172 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.6 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.268 0 O4'-C1'-N19 110.957 3.947 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 0 O4'-C1'-N19 110.574 3.467 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.329 1 O4'-C1'-N19 111.199 4.248 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.2 0 O4'-C1'-N19 110.204 3.005 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.491 ' N3 ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.216 0 O4'-C1'-N19 110.698 3.622 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.486 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.989 1 O4'-C1'-N19 111.072 4.09 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.497 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.794 3.742 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.562 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.428 0 C3'-C2'-C1' 106.987 3.062 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.562 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.73 0 O4'-C1'-N19 110.599 3.499 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . 0.455 HO5' ' H8 ' ' C' ' 112' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.189 0 O4'-C1'-N19 110.432 3.29 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.484 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.621 0 O4'-C1'-N19 110.402 3.253 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.484 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.769 3.711 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.707 0 O4'-C1'-N19 110.43 3.287 . . . . 0.53000000000000003 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.923 0 O4'-C1'-N19 110.298 3.123 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.517 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.353 0 O4'-C1'-N19 110.975 3.969 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.517 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.175 1 O4'-C1'-N19 111.11 4.138 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.396 1 O4'-C1'-N19 111.5 4.625 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.522 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.401 1 O4'-C1'-N19 111.255 4.318 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.522 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.598 0 O4'-C1'-N19 110.784 3.729 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.09 0 C3'-C2'-C1' 107.108 3.149 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo . . . . . 0 N--CA 1.493 1.444 0 CA-C-O 121.066 0.361 . . . . 7.5599999999999996 112.551 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -77.4 139.78 39.77 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.166 -0.959 . . . . 7.46 110.173 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.07 174.08 5.83 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.323 -0.861 . . . . 4.04 110.492 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -140.93 154.53 46.13 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.437 -0.949 . . . . 4.4900000000000002 108.437 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.491 ' NH2' ' N3 ' ' B' ' 107' ' ' ' DA' . 28.9 mtp180 -88.19 93.47 9.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.083 -1.011 . . . . 0.79000000000000004 109.748 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.32 118.81 35.81 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.389 -0.82 . . . . 0.93000000000000005 110.386 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -89.66 8.93 29.01 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.409 -0.959 . . . . 2.1000000000000001 108.409 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.512 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 34.8 m80 -79.76 -47.99 1.43 Allowed Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.597 -0.69 . . . . 3.25 112.563 -178.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 17' ' ' HIS . 13.2 Cg_endo -55.79 151.69 39.0 Favored 'Trans proline' 0 N--CA 1.488 1.173 0 CA-C-N 120.441 1.193 . . . . 1.0 111.783 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.76 -178.53 0.74 Allowed 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.489 2.126 . . . . 1.3700000000000001 112.213 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.22 20.01 68.14 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 120.565 -0.826 . . . . 1.3 111.298 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.96 93.55 8.42 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.914 -1.345 . . . . 1.05 109.269 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -78.08 147.0 34.9 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.517 -0.74 . . . . 2.5899999999999999 109.359 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -106.9 74.04 0.36 Allowed Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.428 -0.795 . . . . 2.3199999999999998 109.942 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.03 135.82 30.76 Favored 'Trans proline' 0 N--CA 1.488 1.19 0 C-N-CA 121.083 1.189 . . . . 0.85999999999999999 109.785 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -69.49 -12.65 61.83 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.288 -0.882 . . . . 3.7400000000000002 109.903 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.5 m -68.41 -4.9 16.33 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.386 -0.821 . . . . 0.87 109.839 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.486 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 5.4 mmt-85 -101.52 -25.71 13.81 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.162 -0.961 . . . . 1.0600000000000001 110.327 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 p -108.17 -41.54 4.88 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.415 -0.803 . . . . 0.66000000000000003 109.587 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.98 -30.31 69.03 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.58 -0.7 . . . . 2.8199999999999998 109.676 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.6 m -61.22 -28.57 69.25 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.265 -0.897 . . . . 0.44 109.5 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' CD ' HH21 ' A' ' 47' ' ' ARG . 69.4 mm-40 -93.38 138.79 31.37 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.174 -0.954 . . . . 1.3 109.658 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -113.81 150.31 43.2 Favored Pre-proline 0 N--CA 1.5 2.047 0 N-CA-C 108.131 -1.063 . . . . 2.0699999999999998 108.131 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -38.3 156.31 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.351 2.034 . . . . 0.47999999999999998 113.153 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -147.58 131.08 16.72 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.284 -0.885 . . . . 0.27000000000000002 110.257 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 36' ' ' CYS . 49.4 m -110.81 164.53 12.68 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.319 -0.863 . . . . 0.39000000000000001 109.75 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.522 ' N ' HG22 ' A' ' 35' ' ' THR . 4.1 t -106.02 101.58 34.65 Favored Pre-proline 0 N--CA 1.499 1.994 0 N-CA-C 109.178 -0.675 . . . . 0.41999999999999998 109.178 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -56.3 0.46 0.17 Allowed 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.599 1.533 . . . . 0.80000000000000004 112.471 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.425 ' H ' ' C ' ' A' ' 36' ' ' CYS . 5.9 mt -97.72 -61.63 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 120.87 -1.143 . . . . 0.53000000000000003 109.926 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.9 p -113.11 13.59 19.36 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.461 -0.774 . . . . 0.46999999999999997 109.116 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 56.86 21.09 5.74 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.881 -0.512 . . . . 0.66000000000000003 110.885 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.536 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.06 137.06 58.18 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.07 -1.455 . . . . 0.38 107.07 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -95.54 114.89 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.17 -0.956 . . . . 0.41999999999999998 110.193 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' ALA . 38.3 mm -113.88 128.49 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 N-CA-C 108.287 -1.005 . . . . 0.26000000000000001 108.287 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' A' ' 44' ' ' ARG . 18.7 mtt-85 -70.67 -56.91 5.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.853 -1.155 . . . . 2.0499999999999998 110.883 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.4 ' OE1' ' ND2' ' A' ' 48' ' ' ASN . 33.5 mt-30 -82.49 133.89 35.2 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.052 -1.03 . . . . 1.22 111.074 -177.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.3 p -63.35 -37.33 86.85 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.364 -0.835 . . . . 0.34999999999999998 110.016 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.449 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.0 ptp180 -59.74 -41.94 92.08 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.971 -1.081 . . . . 0.85999999999999999 108.296 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.449 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.5 m-20 -63.0 -32.09 73.37 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.576 -0.703 . . . . 0.33000000000000002 109.577 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.6 tp -56.58 -45.46 81.33 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.545 -1.347 . . . . 0.37 109.149 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -58.21 -40.88 82.77 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 118.924 -1.11 . . . . 3.2400000000000002 108.103 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -60.98 -39.59 90.2 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.744 -0.836 . . . . 0.45000000000000001 108.744 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -62.61 -36.28 82.26 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.271 -0.893 . . . . 0.33000000000000002 110.13 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.89 -43.47 98.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.8 -1.188 . . . . 0.44 109.22 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.708 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 76.3 mt-10 -75.84 -19.01 59.24 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.05 -1.031 . . . . 2.0800000000000001 111.824 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.0 mt -91.31 -47.25 7.59 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.375 -1.453 . . . . 0.5 112.11 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.442 HH11 ' HG3' ' A' ' 56' ' ' ARG . 21.4 mmm-85 -107.03 15.81 24.89 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.935 -1.103 . . . . 2.21 112.514 -176.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.41 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 97.7 m-70 -150.76 -71.84 0.17 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.257 -1.527 . . . . 0.67000000000000004 110.867 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.501 ' C ' ' H ' ' A' ' 60' ' ' LYS . 85.8 m-85 -81.84 12.62 3.85 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.097 -1.002 . . . . 0.88 109.278 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -68.98 16.76 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.498 -0.751 . . . . 1.0700000000000001 110.158 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' A' ' 58' ' ' PHE . 42.7 mtmt -85.04 147.34 47.69 Favored Pre-proline 0 C--N 1.299 -1.602 0 O-C-N 121.035 -1.041 . . . . 3.6499999999999999 108.879 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.08 146.33 81.71 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 122.3 2.0 . . . . 2.3300000000000001 112.32 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -147.33 -72.1 0.01 OUTLIER Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.399 -1.48 . . . . 3.27 109.399 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.499 2.015 0 O-C-N 121.3 -1.118 . . . . 5.1799999999999997 108.728 179.712 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.605 0 C3'-C2'-C1' 107.215 3.225 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.588 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.027 0 C3'-C2'-C1' 107.005 3.075 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.548 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.117 0 O4'-C1'-N19 110.353 3.191 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.548 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.916 0 O4'-C1'-N19 110.639 3.548 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.539 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.703 0 O4'-C1'-N19 110.736 3.669 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.539 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.128 0 O4'-C1'-N19 110.574 3.467 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.528 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.703 0 O4'-C1'-N19 110.981 3.976 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.585 3.481 . . . . 0.66000000000000003 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.965 0 O4'-C1'-N19 110.207 3.008 . . . . 0.87 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.509 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.413 0 O4'-C1'-N19 110.328 3.16 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.509 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.857 0 O4'-C1'-N19 110.85 3.812 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 111.038 4.048 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.417 ' H71' ' OP2' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.334 0 C3'-C2'-C1' 106.871 2.979 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.529 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.944 0 O4'-C1'-N19 110.814 3.767 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.529 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.888 0 C3'-C2'-C1' 106.853 2.967 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.633 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.498 0 C3'-C2'-C1' 106.984 3.06 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.633 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.204 4.255 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.564 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.882 1 O4'-C1'-N19 111.875 5.093 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.432 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.006 1 O4'-C1'-N19 111.153 4.191 . . . . 0.64000000000000001 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.432 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.486 1 O4'-C1'-N19 111.171 4.214 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.242 0 O4'-C1'-N19 110.381 3.226 . . . . 0.73999999999999999 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.262 3.078 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo . . . . . 0 N--CA 1.491 1.359 0 CA-C-O 120.95 0.312 . . . . 7.5599999999999996 112.362 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -85.71 116.73 24.16 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.861 -1.149 . . . . 7.46 109.518 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.75 7.81 0.1 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.792 -1.192 . . . . 4.04 110.451 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -82.6 138.55 34.18 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.102 -0.999 . . . . 4.4900000000000002 110.032 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -88.14 104.38 16.64 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.216 -0.928 . . . . 0.79000000000000004 109.593 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.48 119.14 32.2 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.24 -0.913 . . . . 0.93000000000000005 109.92 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -96.61 4.38 51.98 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.355 -0.84 . . . . 2.1000000000000001 109.776 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.619 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 19.2 t-80 -78.7 -33.2 0.88 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.26 -0.9 . . . . 3.25 111.888 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.6 Cg_exo -51.69 155.45 7.81 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.705 1.603 . . . . 1.0 111.924 -178.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.21 178.55 3.53 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.579 2.186 . . . . 1.3700000000000001 112.123 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.2 19.64 78.22 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 110.773 -0.931 . . . . 1.3 110.773 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 21' ' ' THR . 3.3 t -91.22 95.73 10.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.935 -1.333 . . . . 1.05 108.849 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -76.68 151.65 36.05 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 109.047 -0.723 . . . . 2.5899999999999999 109.047 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -107.24 71.05 0.29 Allowed Pre-proline 0 N--CA 1.5 2.063 0 O-C-N 121.3 -0.875 . . . . 2.3199999999999998 111.545 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HG2' ' HE ' ' A' ' 27' ' ' ARG . 14.7 Cg_endo -61.18 143.84 98.76 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.374 1.383 . . . . 0.85999999999999999 111.589 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -68.11 -25.09 65.14 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.609 -0.682 . . . . 3.7400000000000002 111.657 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 m -67.18 1.61 2.0 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.947 -1.095 . . . . 0.87 111.638 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.404 ' HE ' ' HG2' ' A' ' 24' ' ' PRO . 27.9 mmt180 -94.02 -65.15 1.01 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.591 -1.318 . . . . 1.0600000000000001 112.078 -178.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.7 p -86.75 -30.99 21.19 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.048 -1.033 . . . . 0.66000000000000003 111.223 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -59.95 -39.78 86.75 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.836 -1.165 . . . . 2.8199999999999998 110.076 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 49.7 m -60.65 -28.46 68.6 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.18 -0.95 . . . . 0.44 109.824 -179.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.557 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 80.1 mm-40 -84.58 139.11 32.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.412 -0.805 . . . . 1.3 110.741 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.532 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 25.7 mp0 -115.2 150.67 44.77 Favored Pre-proline 0 N--CA 1.501 2.097 0 N-CA-C 108.439 -0.948 . . . . 2.0699999999999998 108.439 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.41 153.33 7.51 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.496 1.464 . . . . 0.47999999999999998 111.373 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.97 137.27 26.01 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.024 -1.048 . . . . 0.27000000000000002 110.796 -178.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -115.85 152.12 33.96 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.526 -0.734 . . . . 0.39000000000000001 110.281 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -87.75 129.71 49.63 Favored Pre-proline 0 N--CA 1.495 1.807 0 O-C-N 121.523 -0.736 . . . . 0.41999999999999998 109.149 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.58 -7.39 18.6 Favored 'Trans proline' 0 N--CA 1.49 1.305 0 C-N-CA 121.558 1.505 . . . . 0.80000000000000004 111.985 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.1 mt -97.95 -59.8 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.269 -0.894 . . . . 0.53000000000000003 111.135 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.0 p -111.62 19.48 18.06 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 121.274 -0.891 . . . . 0.46999999999999997 110.424 -178.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 51.14 20.17 0.83 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.194 -0.941 . . . . 0.66000000000000003 111.286 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.81 141.17 49.83 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.389 -1.337 . . . . 0.38 107.389 177.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.4 t -95.27 115.17 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.985 -1.072 . . . . 0.41999999999999998 109.819 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' ALA . 45.9 mm -111.71 128.03 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 107.351 -1.352 . . . . 0.26000000000000001 107.351 178.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -73.64 -57.18 4.17 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.796 -1.19 . . . . 2.0499999999999998 110.659 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.536 ' NE2' ' C8 ' ' B' ' 105' ' ' ' DA' . 96.3 mt-30 -79.43 136.55 36.97 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.975 -1.078 . . . . 1.22 110.374 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.3 p -66.58 -36.81 83.54 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.884 -1.135 . . . . 0.34999999999999998 109.642 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.557 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -57.57 -38.36 74.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.723 -1.236 . . . . 0.85999999999999999 108.984 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.37 -28.07 66.79 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.188 -0.945 . . . . 0.33000000000000002 109.255 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.2 tp -55.86 -48.09 76.15 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.078 -1.014 . . . . 0.37 108.973 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -59.7 -40.48 88.05 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.025 -1.07 . . . . 3.2400000000000002 108.451 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -62.15 -38.98 91.07 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.451 -0.781 . . . . 0.45000000000000001 109.562 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -60.77 -37.19 81.01 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.393 -0.817 . . . . 0.33000000000000002 109.655 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.05 -44.73 94.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.98 -1.075 . . . . 0.44 109.835 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.88 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 89.9 mt-10 -70.58 -27.7 64.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.237 -0.914 . . . . 2.0800000000000001 111.876 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.51 -44.41 11.31 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.525 -1.359 . . . . 0.5 112.258 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 3.3 mmp_? -107.93 19.36 20.14 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.908 -1.12 . . . . 2.21 113.161 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 97.7 m-70 -152.11 -70.3 0.16 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.03 -1.669 . . . . 0.67000000000000004 111.165 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -79.16 3.41 17.79 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.62 -1.3 . . . . 0.88 110.046 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.88 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -72.1 -4.85 31.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.439 -0.788 . . . . 1.0700000000000001 109.211 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -89.91 148.95 40.87 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.264 -0.897 . . . . 3.6499999999999999 109.015 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.59 161.34 45.65 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.873 1.715 . . . . 2.3300000000000001 112.049 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.12 153.49 52.93 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.584 -1.407 . . . . 3.27 109.584 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.498 1.948 0 O-C-N 121.336 -1.096 . . . . 5.1799999999999997 109.051 179.761 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.652 0 O4'-C1'-N19 110.663 3.578 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.407 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.382 0 O4'-C1'-N19 110.562 3.452 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.407 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.072 0 O4'-C1'-N19 110.459 3.323 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 0 O4'-C1'-N19 110.601 3.501 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.544 ' H2 ' ' O2 ' ' C' ' 119' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.548 4.654 1 O4'-C1'-N19 111.506 4.632 . . . . 0.40999999999999998 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.458 ' OP1' ' NZ ' ' A' ' 23' ' ' LYS . . . . . . . . 0 C5'--C4' 1.532 2.593 1 O4'-C1'-N19 111.289 4.362 . . . . 0.57999999999999996 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.47 H2'' " O5'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.409 3.261 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.539 ' N7 ' ' NH2' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.559 0 O4'-C1'-N19 110.885 3.856 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.531 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.568 0 O4'-C1'-N19 110.574 3.467 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.531 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.776 0 O4'-C1'-N19 110.478 3.348 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.506 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.528 1 O4'-C1'-N19 111.089 4.112 . . . . 0.95999999999999996 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.617 1 O4'-C1'-N19 111.473 4.592 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.563 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.592 0 O4'-C1'-N19 110.706 3.633 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.563 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.62 0 O4'-C1'-N19 110.607 3.509 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.465 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.361 0 O4'-C1'-N19 110.312 3.14 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.464 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.027 0 O4'-C1'-N19 110.694 3.617 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.492 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.157 0 O4'-C1'-N19 110.849 3.811 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.492 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 111.61 4.763 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.544 ' O2 ' ' H2 ' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.666 1 O4'-C1'-N19 111.464 4.58 . . . . 0.64000000000000001 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.027 1 O4'-C1'-N19 111.229 4.287 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.537 0 O4'-C1'-N19 110.857 3.821 . . . . 0.73999999999999999 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.481 3.351 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 N--CA 1.494 1.509 0 CA-C-O 121.155 0.398 . . . . 7.5599999999999996 111.842 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -79.52 147.83 32.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.998 -1.064 . . . . 7.46 109.786 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.08 111.16 2.41 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.373 -0.829 . . . . 4.04 109.14 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -83.38 149.43 26.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.354 -0.841 . . . . 4.4900000000000002 109.713 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -83.43 105.91 14.75 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.436 -0.79 . . . . 0.79000000000000004 109.228 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.74 127.58 38.29 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.367 -0.833 . . . . 0.93000000000000005 110.209 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -89.35 16.01 8.18 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.429 -0.794 . . . . 2.1000000000000001 109.012 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.596 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.8 t60 -79.53 -31.34 0.68 Allowed Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 113.048 0.759 . . . . 3.25 113.048 -177.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 69.4 Cg_exo -49.69 138.51 32.75 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 120.993 1.129 . . . . 1.0 111.996 -177.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.98 176.79 9.57 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.272 1.981 . . . . 1.3700000000000001 112.373 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.68 26.99 68.11 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.819 -1.312 . . . . 1.3 109.819 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 21' ' ' THR . 0.7 OUTLIER -97.87 84.78 3.39 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.298 -1.119 . . . . 1.05 110.206 -179.337 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -78.15 147.71 34.43 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.934 -1.104 . . . . 2.5899999999999999 109.21 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' NZ ' ' OP1' ' B' ' 106' ' ' ' DG' . 43.3 mtpt -95.11 109.21 43.33 Favored Pre-proline 0 N--CA 1.501 2.088 0 O-C-N 121.208 -0.933 . . . . 2.3199999999999998 110.772 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -84.17 149.34 11.99 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.19 1.926 . . . . 0.85999999999999999 110.622 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HG2' HH11 ' A' ' 25' ' ' ARG . 12.4 mtt-85 -69.67 -26.45 64.38 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.921 -1.112 . . . . 3.7400000000000002 110.563 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.8 m -68.99 -6.91 30.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.963 -1.085 . . . . 0.87 111.887 -177.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.539 ' NH2' ' N7 ' ' B' ' 108' ' ' ' DG' . 1.8 mmt-85 -99.3 -31.16 11.84 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.735 -1.228 . . . . 1.0600000000000001 110.45 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 p -110.12 -38.91 5.17 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.166 -0.958 . . . . 0.66000000000000003 109.817 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -60.65 -37.28 81.0 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.001 -1.062 . . . . 2.8199999999999998 110.27 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.3 m -56.7 -35.68 68.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.169 -0.957 . . . . 0.44 110.937 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.555 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 46.6 mm-40 -69.15 147.8 50.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.709 -1.244 . . . . 1.3 109.797 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -126.99 152.68 75.95 Favored Pre-proline 0 N--CA 1.496 1.866 0 N-CA-C 108.044 -1.095 . . . . 2.0699999999999998 108.044 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -44.52 153.56 0.36 Allowed 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 121.692 1.595 . . . . 0.47999999999999998 112.861 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -145.91 133.97 21.5 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.477 -0.764 . . . . 0.27000000000000002 109.566 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 36' ' ' CYS . 95.2 m -113.91 156.45 23.95 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 109.238 -0.653 . . . . 0.39000000000000001 109.238 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.427 ' N ' HG22 ' A' ' 35' ' ' THR . 3.8 t -95.06 125.39 50.79 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.35 -0.844 . . . . 0.41999999999999998 109.084 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -76.27 -1.04 11.01 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 121.556 1.504 . . . . 0.80000000000000004 112.436 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.2 mt -101.92 -49.75 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.238 -0.914 . . . . 0.53000000000000003 110.332 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.6 p -124.52 25.45 7.59 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.366 -0.834 . . . . 0.46999999999999997 109.841 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 46.5 20.14 0.09 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.345 -0.847 . . . . 0.66000000000000003 112.004 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.547 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.79 140.22 56.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.617 -1.302 . . . . 0.38 107.98 178.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.9 t -96.22 113.38 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.977 -1.077 . . . . 0.41999999999999998 109.976 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' ALA . 25.5 mm -110.92 132.14 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 107.412 -1.329 . . . . 0.26000000000000001 107.412 178.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.476 ' HG2' HH11 ' A' ' 44' ' ' ARG . 28.0 mtt-85 -75.49 -62.64 1.5 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.494 -1.379 . . . . 2.0499999999999998 110.509 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.563 ' OE1' ' NE ' ' A' ' 47' ' ' ARG . 83.6 mt-30 -78.89 140.7 38.06 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.092 -1.005 . . . . 1.22 110.994 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.9 p -66.37 -36.34 82.61 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.396 -0.815 . . . . 0.34999999999999998 109.966 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.563 ' NE ' ' OE1' ' A' ' 45' ' ' GLN . 2.3 ptt-85 -59.65 -41.07 89.7 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.952 -1.092 . . . . 0.85999999999999999 109.24 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.408 ' HA ' HH12 ' A' ' 51' ' ' ARG . 93.7 m-20 -62.67 -32.05 73.05 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.16 -0.962 . . . . 0.33000000000000002 110.019 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.2 tp -57.25 -42.34 81.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.031 -1.043 . . . . 0.37 108.43 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HG2' HH11 ' A' ' 50' ' ' ARG . 17.1 ttt-85 -58.04 -40.05 79.93 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.509 -0.923 . . . . 3.2400000000000002 108.509 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' NH1' ' CB ' ' A' ' 51' ' ' ARG . 12.4 ttp-105 -69.26 -36.02 76.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.221 -0.924 . . . . 0.45000000000000001 108.733 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -62.77 -41.38 99.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.421 -0.799 . . . . 0.33000000000000002 109.721 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.6 mt -60.07 -43.97 95.09 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.202 -0.936 . . . . 0.44 110.332 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.777 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 88.5 mt-10 -73.52 -21.65 60.33 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.333 -0.855 . . . . 2.0800000000000001 113.002 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.7 mt -99.03 -37.84 9.2 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.958 -1.089 . . . . 0.5 111.678 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.489 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.8 mmm180 -103.95 14.03 31.53 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.861 -1.15 . . . . 2.21 112.292 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.5 m-70 -153.5 -76.68 0.12 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.085 -1.635 . . . . 0.67000000000000004 111.12 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -76.39 8.57 3.31 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.32 -0.862 . . . . 0.88 109.348 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -68.75 -3.55 12.67 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.316 -0.994 . . . . 1.0700000000000001 108.316 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -87.6 149.22 45.86 Favored Pre-proline 0 N--CA 1.491 1.605 0 N-CA-C 108.586 -0.894 . . . . 3.6499999999999999 108.586 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -73.84 138.49 26.18 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.093 1.862 . . . . 2.3300000000000001 111.722 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -147.19 -104.09 0.36 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.242 -1.543 . . . . 3.27 109.242 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.3 t . . . . . 0 N--CA 1.496 1.862 0 O-C-N 121.238 -1.154 . . . . 5.1799999999999997 109.804 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.439 " O5'" ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.58 0 O4'-C1'-N19 110.404 3.255 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.642 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.036 0 O4'-C1'-N19 110.861 3.826 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.642 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.172 1 O4'-C1'-N19 111.351 4.439 . . . . 0.65000000000000002 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 1 O4'-C1'-N19 111.063 4.078 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.453 ' N7 ' ' NE2' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.533 2.698 1 O4'-C1'-N19 111.419 4.524 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.513 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.881 0 O4'-C1'-N19 110.248 3.06 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.513 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.33 0 O4'-C1'-N19 110.965 3.957 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.444 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.533 1 O4'-C1'-N19 111.508 4.635 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.568 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.087 0 O4'-C1'-N19 110.679 3.599 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.568 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.126 0 C3'-C2'-C1' 106.971 3.051 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.512 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.444 1 O4'-C1'-N19 111.161 4.202 . . . . 0.95999999999999996 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.289 0 O4'-C1'-N19 110.478 3.348 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.534 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.864 0 O4'-C1'-N19 110.459 3.324 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.534 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.273 0 O4'-C1'-N19 110.749 3.687 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.546 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.016 0 C3'-C2'-C1' 106.667 2.833 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.583 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.332 0 C3'-C2'-C1' 106.965 3.046 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.583 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.441 1.616 1 O4'-C1'-N19 111.207 4.258 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.476 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.882 3.852 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.813 1 O4'-C1'-N19 111.1 4.125 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.579 1 O4'-C1'-N19 111.173 4.216 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.333 0 O4'-C1'-N19 110.373 3.216 . . . . 0.73999999999999999 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.869 0 C3'-C2'-C1' 106.947 3.034 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo . . . . . 0 N--CA 1.497 1.722 0 CA-C-O 121.379 0.491 . . . . 7.5599999999999996 112.335 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -82.31 -73.85 0.37 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.277 -0.89 . . . . 7.46 109.279 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.53 139.29 55.62 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.168 -0.958 . . . . 4.04 109.785 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -88.67 -99.41 0.09 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.468 -0.77 . . . . 4.4900000000000002 109.775 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -91.1 110.11 21.38 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.347 -0.845 . . . . 0.79000000000000004 109.658 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.23 127.3 39.99 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.145 -0.972 . . . . 0.93000000000000005 111.356 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -93.44 4.23 54.29 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.088 -1.007 . . . . 2.1000000000000001 109.577 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.613 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.4 m-70 -81.12 -29.18 0.51 Allowed Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 121.409 -0.807 . . . . 3.25 113.108 -178.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 74.5 Cg_exo -50.14 152.51 7.81 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 121.781 1.654 . . . . 1.0 112.878 -178.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -73.11 164.77 34.52 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.79 2.327 . . . . 1.3700000000000001 112.312 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.84 18.78 78.51 Favored Glycine 0 N--CA 1.484 1.866 0 N-CA-C 110.415 -1.074 . . . . 1.3 110.415 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 21' ' ' THR . 8.7 t -95.52 83.84 3.87 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.854 -1.38 . . . . 1.05 108.517 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -76.09 157.7 32.6 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.437 -0.789 . . . . 2.5899999999999999 109.413 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -105.15 70.77 0.21 Allowed Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 121.372 -0.83 . . . . 2.3199999999999998 110.19 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.4 140.97 79.3 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.402 1.402 . . . . 0.85999999999999999 110.721 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -77.75 -1.04 29.33 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.485 -0.759 . . . . 3.7400000000000002 109.412 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -73.16 -5.66 40.65 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.019 -1.051 . . . . 0.87 109.511 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 24.5 mmt180 -99.06 -22.98 15.44 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.246 -1.02 . . . . 1.0600000000000001 108.246 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.3 p -105.95 -37.62 6.6 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.633 0.73 . . . . 0.66000000000000003 109.213 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -63.59 -36.25 83.19 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.158 -0.963 . . . . 2.8199999999999998 108.855 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.9 m -60.28 -29.01 68.54 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.135 -1.061 . . . . 0.44 108.135 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.592 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 56.1 mm-40 -89.29 138.07 31.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.919 -0.488 . . . . 1.3 110.004 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -117.44 149.9 45.6 Favored Pre-proline 0 N--CA 1.502 2.167 0 N-CA-C 107.778 -1.193 . . . . 2.0699999999999998 107.778 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -40.28 156.5 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.295 1.997 . . . . 0.47999999999999998 112.183 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.92 135.86 21.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.338 -0.851 . . . . 0.27000000000000002 110.244 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.2 m -116.87 146.1 43.14 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.606 -0.684 . . . . 0.39000000000000001 110.373 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.8 t -85.42 132.79 43.83 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.831 -0.543 . . . . 0.41999999999999998 109.615 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -79.89 -8.46 14.43 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 121.971 1.78 . . . . 0.80000000000000004 113.352 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.9 mt -96.33 -42.6 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.949 -1.094 . . . . 0.53000000000000003 110.496 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.6 p -127.84 19.26 6.64 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.181 -0.95 . . . . 0.46999999999999997 110.771 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 49.89 17.92 0.32 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.408 -0.807 . . . . 0.66000000000000003 111.328 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.575 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.55 139.98 56.69 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.553 -1.342 . . . . 0.38 107.798 178.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.58 113.85 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.926 -1.109 . . . . 0.41999999999999998 110.53 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.0 mm -109.24 127.01 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 N-CA-C 107.329 -1.36 . . . . 0.26000000000000001 107.329 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.452 ' HG2' HH11 ' A' ' 44' ' ' ARG . 17.6 mtt-85 -68.74 -57.73 5.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.545 -1.347 . . . . 2.0499999999999998 110.833 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' NE2' ' N7 ' ' B' ' 105' ' ' ' DA' . 25.7 mt-30 -80.26 135.34 36.22 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.279 -0.888 . . . . 1.22 110.935 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.4 p -66.19 -36.53 83.32 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.276 -0.89 . . . . 0.34999999999999998 109.532 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.592 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -57.73 -35.65 70.97 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.455 -1.403 . . . . 0.85999999999999999 109.625 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.407 HD22 ' H62' ' B' ' 105' ' ' ' DA' . 13.7 m120 -73.95 -25.52 60.0 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.066 -1.022 . . . . 0.33000000000000002 108.785 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.92 -46.19 88.53 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.226 -0.99 . . . . 0.37 108.513 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -60.25 -41.68 93.71 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.181 -1.044 . . . . 3.2400000000000002 108.181 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -63.95 -33.99 76.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.45000000000000001 110.021 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -64.49 -36.23 83.52 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.302 -0.874 . . . . 0.33000000000000002 109.59 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.01 -41.38 96.42 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.064 -1.023 . . . . 0.44 109.572 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 75.9 mt-10 -75.13 -15.03 60.62 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.681 -0.637 . . . . 2.0800000000000001 111.276 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.2 mt -102.1 -42.29 6.13 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.508 -1.37 . . . . 0.5 111.084 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.509 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.0 mmm180 -105.56 11.29 32.57 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.896 -1.127 . . . . 2.21 112.61 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.509 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 90.2 m-70 -152.49 -71.05 0.15 Allowed 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.107 -1.62 . . . . 0.67000000000000004 110.583 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -80.19 13.63 2.25 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.0 -1.062 . . . . 0.88 109.414 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -72.58 10.44 0.83 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.36 -0.838 . . . . 1.0700000000000001 109.992 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -88.93 150.34 45.29 Favored Pre-proline 0 C--N 1.299 -1.617 0 O-C-N 121.083 -1.011 . . . . 3.6499999999999999 108.33 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -47.47 163.92 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 121.285 1.323 . . . . 2.3300000000000001 111.42 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.421 ' H ' ' H ' ' A' ' 63' ' ' VAL . . . -176.99 -8.23 0.02 OUTLIER Glycine 0 N--CA 1.491 2.342 0 C-N-CA 119.52 -1.324 . . . . 3.27 110.021 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.421 ' H ' ' H ' ' A' ' 62' ' ' GLY . 37.2 t . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.203 -1.174 . . . . 5.1799999999999997 109.458 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.707 3.634 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.502 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.659 0 O4'-C1'-N19 110.626 3.532 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.502 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.336 0 O4'-C1'-N19 110.517 3.396 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.556 1 O4'-C1'-N19 111.177 4.222 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.447 ' C8 ' ' NE2' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.531 2.468 1 O4'-C1'-N19 111.02 4.026 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.535 " C1'" ' HZ2' ' A' ' 16' ' ' LYS . . . . . . . . 0 C5'--C4' 1.534 2.85 0 C3'-C2'-C1' 106.783 2.917 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.5 H2'' " O5'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.961 1 O4'-C1'-N19 111.228 4.284 . . . . 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.5 " O5'" H2'' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.508 0 O4'-C1'-N19 110.888 3.86 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.235 0 C3'-C2'-C1' 107.143 3.174 . . . . 0.87 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 0 O4'-C1'-N19 110.784 3.729 . . . . 0.85999999999999999 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.131 0 O4'-C1'-N19 110.745 3.682 . . . . 0.95999999999999996 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . 0.494 " H2'" ' H72' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.368 0 O4'-C1'-N19 110.862 3.827 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.494 ' H72' " H2'" ' C' ' 112' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.934 0 O4'-C1'-N19 110.261 3.076 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.409 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.147 0 O4'-C1'-N19 110.654 3.567 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C1'-N19 110.271 3.089 . . . . 0.53000000000000003 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.42 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.984 0 O4'-C1'-N19 110.367 3.209 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.527 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.022 1 O4'-C1'-N19 111.27 4.338 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.527 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.009 1 O4'-C1'-N19 111.648 4.81 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.426 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.722 0 O4'-C1'-N19 110.602 3.502 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.258 0 O4'-C1'-N19 110.994 3.993 . . . . 0.68000000000000005 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.543 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.913 0 O4'-C1'-N19 110.695 3.619 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . 0.543 " O5'" H2'' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.448 0 O4'-C1'-N19 110.729 3.662 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo . . . . . 0 N--CA 1.492 1.405 0 CA-C-O 121.437 0.515 . . . . 7.5599999999999996 112.08 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -76.3 161.24 28.91 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.999 -0.741 . . . . 7.46 108.999 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.74 22.5 0.39 Allowed 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.624 -0.88 . . . . 4.04 108.624 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -78.68 145.24 34.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.365 -0.834 . . . . 4.4900000000000002 109.183 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -85.75 106.66 17.16 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.864 0.84 . . . . 0.79000000000000004 109.073 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.58 109.36 21.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.467 -0.77 . . . . 0.93000000000000005 109.636 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HZ2' " C1'" ' B' ' 106' ' ' ' DG' . 0.2 OUTLIER -90.91 3.64 54.03 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.245 -0.91 . . . . 2.1000000000000001 109.061 179.446 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.51 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -82.71 -44.05 0.92 Allowed Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.253 -0.904 . . . . 3.25 112.357 -177.632 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 86.5 Cg_exo -48.06 150.95 4.43 Favored 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.564 2.176 . . . . 1.0 112.528 -177.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -57.3 175.41 0.36 Allowed 'Trans proline' 0 N--CA 1.504 2.103 0 C-N-CA 122.356 2.037 . . . . 1.3700000000000001 112.392 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.92 16.36 80.72 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.843 -1.303 . . . . 1.3 109.843 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.88 91.34 7.86 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.093 -1.24 . . . . 1.05 109.341 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -78.2 143.5 37.12 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.542 -0.724 . . . . 2.5899999999999999 109.329 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -106.66 68.99 0.23 Allowed Pre-proline 0 N--CA 1.5 2.038 0 O-C-N 121.597 -0.689 . . . . 2.3199999999999998 110.727 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.22 135.33 53.77 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.88 1.72 . . . . 0.85999999999999999 111.942 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -70.14 -11.06 60.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.491 -0.756 . . . . 3.7400000000000002 109.52 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.8 m -70.18 -9.36 55.49 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.449 -0.782 . . . . 0.87 110.627 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -105.12 -17.87 14.34 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.076 -1.015 . . . . 1.0600000000000001 109.335 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.7 p -107.68 -41.24 5.07 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.544 -0.723 . . . . 0.66000000000000003 109.812 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -26.92 66.38 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.268 -0.895 . . . . 2.8199999999999998 109.224 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.7 m -60.55 -28.57 68.54 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.244 -0.91 . . . . 0.44 109.093 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -94.31 145.09 24.99 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.278 -0.888 . . . . 1.3 110.124 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -114.76 152.63 46.54 Favored Pre-proline 0 N--CA 1.499 2.008 0 N-CA-C 107.887 -1.153 . . . . 2.0699999999999998 107.887 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -48.45 153.09 3.44 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.39 1.393 . . . . 0.47999999999999998 110.871 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -141.48 129.97 22.59 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.22 -0.925 . . . . 0.27000000000000002 110.248 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.0 m -111.61 148.03 34.2 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.564 0.697 . . . . 0.39000000000000001 109.998 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.1 t -85.9 130.09 51.83 Favored Pre-proline 0 N--CA 1.492 1.627 0 N-CA-C 109.091 -0.707 . . . . 0.41999999999999998 109.091 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.06 -6.28 17.17 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 121.772 1.648 . . . . 0.80000000000000004 113.77 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.1 mt -99.88 -52.71 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 120.905 -1.122 . . . . 0.53000000000000003 110.313 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.6 p -115.81 19.63 15.06 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.261 -0.9 . . . . 0.46999999999999997 110.288 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 49.14 17.4 0.18 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.38 -0.825 . . . . 0.66000000000000003 110.888 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.615 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.3 139.49 48.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.516 -1.365 . . . . 0.38 107.665 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.0 t -94.8 112.92 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.194 -0.941 . . . . 0.41999999999999998 110.733 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' ALA . 31.7 mm -110.2 131.37 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 107.818 -1.178 . . . . 0.26000000000000001 107.818 178.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.492 ' HG2' HH11 ' A' ' 44' ' ' ARG . 10.5 mtt-85 -75.39 -62.91 1.41 Allowed 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.933 -1.104 . . . . 2.0499999999999998 110.814 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.447 ' NE2' ' C8 ' ' B' ' 105' ' ' ' DA' . 87.7 mt-30 -79.04 136.99 37.35 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.111 -0.993 . . . . 1.22 110.584 -179.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -63.54 -33.93 76.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.274 -0.891 . . . . 0.34999999999999998 109.883 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.4 ptp180 -58.74 -40.01 82.55 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.208 -0.933 . . . . 0.85999999999999999 109.212 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.442 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.2 m-20 -69.7 -27.36 64.93 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.326 -0.859 . . . . 0.33000000000000002 109.868 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.37 -47.63 83.22 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.903 -1.123 . . . . 0.37 109.327 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.497 ' CG ' HH11 ' A' ' 50' ' ' ARG . 8.3 mtt-85 -58.83 -40.02 82.95 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.276 -1.379 . . . . 3.2400000000000002 107.276 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.445 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 45.2 ttp180 -62.89 -39.8 95.59 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 109.366 -0.605 . . . . 0.45000000000000001 109.366 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -61.41 -38.89 88.76 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.557 -0.714 . . . . 0.33000000000000002 110.111 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.19 -42.32 94.79 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.15 -0.969 . . . . 0.44 109.719 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.824 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 63.4 mm-40 -72.16 -24.14 61.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.445 -0.784 . . . . 2.0800000000000001 111.803 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.5 mt -93.95 -41.31 9.66 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.832 -1.168 . . . . 0.5 112.054 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.514 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 3.4 mmp_? -106.25 11.57 30.99 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.078 -1.014 . . . . 2.21 113.331 -176.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.0 m-70 -153.11 -65.94 0.15 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 119.916 -1.74 . . . . 0.67000000000000004 110.52 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -81.2 6.86 12.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.055 -1.028 . . . . 0.88 110.186 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.824 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.35 -0.76 10.89 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.778 -0.823 . . . . 1.0700000000000001 108.778 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.67 152.15 43.05 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.284 -0.885 . . . . 3.6499999999999999 109.303 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -75.65 154.18 39.32 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 122.336 2.024 . . . . 2.3300000000000001 110.882 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -170.87 -176.91 40.45 Favored Glycine 0 N--CA 1.485 1.953 0 N-CA-C 109.079 -1.608 . . . . 3.27 109.079 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.493 1.723 0 O-C-N 121.399 -1.06 . . . . 5.1799999999999997 109.183 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.56 HO5' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.462 0 O4'-C1'-N19 110.786 3.733 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.441 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.833 0 O4'-C1'-N19 110.68 3.601 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.497 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.538 0 C3'-C2'-C1' 106.994 3.067 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.497 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.16 0 O4'-C1'-N19 110.854 3.817 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.424 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.29 1 O4'-C1'-N19 111.639 4.799 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.972 0 C3'-C2'-C1' 106.983 3.059 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O4'-C1'-N19 110.881 3.851 . . . . 0.69999999999999996 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.496 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.339 1 O4'-C1'-N19 111.565 4.707 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.534 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.14 1 O4'-C1'-N19 111.181 4.226 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.534 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.979 0 O4'-C1'-N19 110.576 3.47 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.419 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.841 1 O4'-C1'-N19 111.151 4.189 . . . . 0.95999999999999996 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . 0.497 " H2'" ' H72' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.261 0 O4'-C1'-N19 110.906 3.883 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.497 ' H72' " H2'" ' C' ' 112' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.369 0 C3'-C2'-C1' 106.951 3.036 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.47 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.998 0 O4'-C1'-N19 110.804 3.755 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.47 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.324 0 O4'-C1'-N19 110.863 3.829 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.494 0 O4'-C1'-N19 110.588 3.485 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.51 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.402 1 O4'-C1'-N19 111.018 4.023 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.51 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.831 1 O4'-C1'-N19 111.653 4.816 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.774 1 O4'-C1'-N19 111.349 4.436 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.33 1 O4'-C1'-N19 111.181 4.227 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.626 0 O4'-C1'-N19 110.64 3.551 . . . . 0.73999999999999999 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.485 0 O4'-C1'-N19 110.485 3.357 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo . . . . . 0 N--CA 1.492 1.422 0 CA-C-O 121.488 0.537 . . . . 7.5599999999999996 112.219 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -85.01 120.17 26.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.518 -0.739 . . . . 7.46 109.397 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.32 -80.17 0.06 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.944 -1.097 . . . . 4.04 109.274 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.35 129.66 34.76 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.432 -0.793 . . . . 4.4900000000000002 109.173 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -85.49 98.7 10.76 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.02 -1.05 . . . . 0.79000000000000004 108.349 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.14 134.15 35.61 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.39 -0.819 . . . . 0.93000000000000005 110.48 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -89.08 17.2 6.07 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.327 -0.99 . . . . 2.1000000000000001 108.327 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.594 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -77.53 -30.0 0.73 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.281 -0.887 . . . . 3.25 112.847 -178.548 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 57.6 Cg_exo -49.98 141.61 29.04 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 121.531 1.487 . . . . 1.0 112.887 -178.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -74.02 172.26 16.29 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.333 2.022 . . . . 1.3700000000000001 111.466 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.69 17.05 79.05 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.92 -1.272 . . . . 1.3 109.92 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 21' ' ' THR . 5.2 t -90.54 86.84 6.53 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.043 -1.269 . . . . 1.05 110.217 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 1.1 mp0 -79.83 158.76 26.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.238 -0.914 . . . . 2.5899999999999999 109.037 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -105.84 73.97 0.29 Allowed Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.256 -0.902 . . . . 2.3199999999999998 110.236 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.86 143.38 91.49 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.035 1.157 . . . . 0.85999999999999999 111.757 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' A' ' 25' ' ' ARG . 45.9 mtt-85 -68.96 -14.31 62.96 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.275 -0.891 . . . . 3.7400000000000002 109.942 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -68.1 -6.28 22.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.083 -1.011 . . . . 0.87 109.824 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 30.0 mmt180 -100.58 -21.53 15.26 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.319 -0.863 . . . . 1.0600000000000001 110.645 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 p -107.35 -41.41 5.1 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.119 -0.988 . . . . 0.66000000000000003 110.476 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -61.39 -28.46 69.26 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.039 -1.038 . . . . 2.8199999999999998 110.192 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -53.54 -38.29 63.66 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.711 0.767 . . . . 0.44 109.267 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.545 ' CG ' HH21 ' A' ' 47' ' ' ARG . 74.0 mm-40 -91.55 148.88 21.97 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.409 -0.807 . . . . 1.3 109.084 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -114.82 149.92 43.21 Favored Pre-proline 0 N--CA 1.494 1.758 0 N-CA-C 108.921 -0.77 . . . . 2.0699999999999998 108.921 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -38.05 154.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.365 2.043 . . . . 0.47999999999999998 111.578 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.83 136.18 22.75 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.835 -1.166 . . . . 0.27000000000000002 110.476 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 36' ' ' CYS . 51.0 m -117.1 158.96 23.32 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.671 -0.862 . . . . 0.39000000000000001 108.671 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.421 ' N ' HG22 ' A' ' 35' ' ' THR . 1.8 t -105.07 103.66 42.91 Favored Pre-proline 0 N--CA 1.504 2.248 0 O-C-N 121.306 -0.871 . . . . 0.41999999999999998 108.925 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -53.69 -4.55 0.23 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.067 1.845 . . . . 0.80000000000000004 113.851 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.9 mt -96.29 -64.21 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 120.778 -1.201 . . . . 0.53000000000000003 109.863 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.4 p -106.93 11.32 30.02 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.978 -0.749 . . . . 0.46999999999999997 108.978 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' CYS . 90.9 m-85 55.46 25.45 7.78 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.842 -0.536 . . . . 0.66000000000000003 110.529 178.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.502 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.91 135.07 57.68 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.208 -1.404 . . . . 0.38 107.208 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.6 t -92.04 109.12 20.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 O-C-N 120.993 -1.067 . . . . 0.41999999999999998 109.806 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' ALA . 42.2 mm -109.12 129.54 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 N-CA-C 107.627 -1.249 . . . . 0.26000000000000001 107.627 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -71.94 -64.74 0.88 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.753 -1.217 . . . . 2.0499999999999998 110.437 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -78.96 140.54 38.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.36 -0.837 . . . . 1.22 110.664 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.9 p -67.69 -32.4 73.03 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.694 -0.629 . . . . 0.34999999999999998 110.917 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.545 HH21 ' CG ' ' A' ' 31' ' ' GLU . 13.9 ptp180 -59.41 -40.63 87.28 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.908 -1.12 . . . . 0.85999999999999999 109.442 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.408 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 97.6 m-20 -69.45 -29.4 67.08 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.536 -0.727 . . . . 0.33000000000000002 109.698 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.2 tp -60.0 -46.43 89.51 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.408 -0.807 . . . . 0.37 109.151 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -59.89 -40.22 87.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.842 -1.161 . . . . 3.2400000000000002 108.178 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -63.82 -36.77 84.99 Favored 'General case' 0 C--N 1.296 -1.733 0 C-N-CA 119.747 -0.781 . . . . 0.45000000000000001 109.353 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -63.22 -33.46 75.54 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.292 -0.88 . . . . 0.33000000000000002 110.011 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.78 -47.63 82.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.923 -1.111 . . . . 0.44 110.04 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.818 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 93.5 mt-10 -72.49 -21.5 61.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.272 -0.892 . . . . 2.0800000000000001 111.808 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.16 -35.97 12.27 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.556 -1.34 . . . . 0.5 112.075 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.518 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.1 mmm180 -110.48 13.75 22.67 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.909 -1.119 . . . . 2.21 112.025 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.518 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.8 m-70 -152.56 -72.1 0.15 Allowed 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.389 -1.444 . . . . 0.67000000000000004 111.444 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -80.47 9.82 5.46 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.753 -1.217 . . . . 0.88 110.672 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.818 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -66.34 -11.99 54.17 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.958 -1.089 . . . . 1.0700000000000001 109.489 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -90.38 154.64 46.61 Favored Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 121.043 -1.036 . . . . 3.6499999999999999 110.451 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 62' ' ' GLY . 60.4 Cg_exo -49.38 144.14 18.69 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.957 1.772 . . . . 2.3300000000000001 110.775 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 61' ' ' PRO . . . -47.85 -96.29 0.01 OUTLIER Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.775 -1.33 . . . . 3.27 109.775 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 N--CA 1.495 1.777 0 O-C-N 121.387 -1.066 . . . . 5.1799999999999997 109.968 -179.742 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C1'-N19 110.194 2.992 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.421 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.627 0 O4'-C1'-N19 110.401 3.252 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.421 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.19 4.237 . . . . 0.65000000000000002 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.461 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.248 1 O4'-C1'-N19 111.166 4.207 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.461 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.609 1 O4'-C1'-N19 111.902 5.127 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.478 0 O4'-C1'-N19 110.657 3.571 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.794 0 O4'-C1'-N19 110.194 2.992 . . . . 0.69999999999999996 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.527 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.174 0 O4'-C1'-N19 110.38 3.225 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.501 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.402 1 O4'-C1'-N19 111.554 4.693 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.6 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.017 0 C3'-C2'-C1' 107.041 3.101 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.6 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.303 0 O4'-C1'-N19 110.608 3.51 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . 0.424 " H2'" ' H72' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.149 0 O4'-C1'-N19 110.823 3.778 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.424 ' H72' " H2'" ' C' ' 112' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.688 3.61 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C1'-N19 110.637 3.546 . . . . 0.56999999999999995 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.384 0 O4'-C1'-N19 110.538 3.423 . . . . 0.53000000000000003 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.55 " H4'" ' OP1' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.607 0 O4'-C1'-N19 110.882 3.852 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.55 ' OP1' " H4'" ' C' ' 116' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.546 4.371 1 O4'-C1'-N19 111.877 5.096 . . . . 1.95 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.732 1 O4'-C1'-N19 111.286 4.357 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.109 0 O4'-C1'-N19 110.786 3.732 . . . . 0.64000000000000001 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.529 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.742 3.678 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.529 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.131 0 O4'-C1'-N19 110.946 3.933 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.545 0 O4'-C1'-N19 110.381 3.226 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo . . . . . 0 N--CA 1.496 1.626 0 CA-C-O 121.173 0.405 . . . . 7.5599999999999996 111.73 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -82.56 148.83 27.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.129 -0.982 . . . . 7.46 108.913 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.02 -152.43 0.32 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.889 -1.132 . . . . 4.04 110.234 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -150.37 -69.32 0.19 Allowed 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.336 -0.853 . . . . 4.4900000000000002 109.008 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -85.68 100.78 12.22 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.954 -1.091 . . . . 0.79000000000000004 109.93 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.0 132.36 45.4 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.574 -0.704 . . . . 0.93000000000000005 109.96 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -93.78 9.2 38.15 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.782 -0.821 . . . . 2.1000000000000001 108.782 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.629 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.0 m80 -78.91 -30.68 0.68 Allowed Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.337 -0.852 . . . . 3.25 112.403 -178.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.0 Cg_exo -54.21 143.75 62.51 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.963 1.775 . . . . 1.0 111.518 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -77.87 173.59 13.83 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.645 2.23 . . . . 1.3700000000000001 111.886 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.24 31.96 49.98 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.389 -1.484 . . . . 1.3 109.389 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 21' ' ' THR . 13.5 t -90.52 88.73 7.26 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.123 -1.222 . . . . 1.05 109.715 -179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -81.08 141.95 33.81 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.981 -1.074 . . . . 2.5899999999999999 108.667 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -106.54 72.94 0.3 Allowed Pre-proline 0 N--CA 1.504 2.235 0 O-C-N 121.115 -0.99 . . . . 2.3199999999999998 110.476 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -64.95 142.32 74.7 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.27 1.313 . . . . 0.85999999999999999 111.263 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' CD ' ' H ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -70.52 -6.72 38.34 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.27 -0.894 . . . . 3.7400000000000002 109.449 -179.19 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.3 m -70.29 -7.76 45.02 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.258 -0.901 . . . . 0.87 109.931 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.527 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 31.3 mmt180 -102.13 -23.3 14.07 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.005 -1.059 . . . . 1.0600000000000001 110.614 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 p -103.12 -36.31 8.18 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.969 -1.082 . . . . 0.66000000000000003 110.336 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.2 -30.07 69.13 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.009 -1.057 . . . . 2.8199999999999998 110.164 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.4 m -59.64 -30.57 68.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.263 -0.898 . . . . 0.44 109.476 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -84.35 143.37 29.53 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.153 -0.967 . . . . 1.3 110.412 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 44' ' ' ARG . 92.9 mt-30 -115.75 153.52 48.01 Favored Pre-proline 0 N--CA 1.501 2.117 0 N-CA-C 108.889 -0.782 . . . . 2.0699999999999998 108.889 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.09 154.55 17.62 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 122.291 1.994 . . . . 0.47999999999999998 111.726 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 43' ' ' ILE . . . -149.99 136.65 19.2 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.856 -1.153 . . . . 0.27000000000000002 111.104 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.508 HG22 ' N ' ' A' ' 36' ' ' CYS . 87.8 m -114.48 161.46 17.96 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.526 -0.734 . . . . 0.39000000000000001 109.371 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.508 ' N ' HG22 ' A' ' 35' ' ' THR . 6.3 t -106.36 100.45 29.72 Favored Pre-proline 0 N--CA 1.504 2.227 0 O-C-N 121.459 -0.776 . . . . 0.41999999999999998 109.664 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.74 -0.59 0.09 OUTLIER 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.246 1.964 . . . . 0.80000000000000004 113.35 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.424 ' H ' ' C ' ' A' ' 36' ' ' CYS . 17.3 mt -98.33 -63.95 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.896 -1.128 . . . . 0.53000000000000003 109.71 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.9 p -109.21 13.15 24.55 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.585 -0.895 . . . . 0.46999999999999997 108.585 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 55.44 19.04 2.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.835 -0.54 . . . . 0.66000000000000003 110.947 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.588 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.23 136.37 57.94 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.603 -1.258 . . . . 0.38 107.603 178.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -95.84 112.23 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 120.7 -1.25 . . . . 0.41999999999999998 110.449 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 34' ' ' ALA . 26.8 mm -109.29 129.91 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 107.026 -1.472 . . . . 0.26000000000000001 107.026 177.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HG2' HH11 ' A' ' 44' ' ' ARG . 17.9 mtt-85 -71.73 -61.76 1.66 Allowed 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.864 -1.148 . . . . 2.0499999999999998 110.329 -178.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.57 HE22 ' NH2' ' A' ' 47' ' ' ARG . 76.4 mt-30 -78.26 136.59 37.79 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.9 -1.125 . . . . 1.22 110.76 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.7 p -66.49 -38.96 88.4 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.317 -0.865 . . . . 0.34999999999999998 110.252 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.57 ' NH2' HE22 ' A' ' 45' ' ' GLN . 26.6 ptt180 -55.66 -38.78 70.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.963 -1.086 . . . . 0.85999999999999999 108.639 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.82 -27.56 64.98 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.231 -0.918 . . . . 0.33000000000000002 109.576 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.76 -46.67 88.44 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.701 -1.249 . . . . 0.37 108.991 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -55.64 -41.2 73.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.787 -1.196 . . . . 3.2400000000000002 107.964 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.41 ' NH1' ' C5 ' ' B' ' 103' ' ' ' DC' . 46.7 ttp180 -60.6 -42.08 96.05 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.464 -0.894 . . . . 0.45000000000000001 108.768 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.52 -39.16 86.78 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.485 -0.759 . . . . 0.33000000000000002 110.861 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.05 -41.77 83.99 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.955 -1.091 . . . . 0.44 109.588 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.821 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 94.0 mt-10 -73.44 -17.77 61.21 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.458 -0.776 . . . . 2.0800000000000001 111.767 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -93.89 -50.18 5.47 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 120.687 -1.258 . . . . 0.5 113.462 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 3.4 mmp_? -106.15 26.26 9.98 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.613 -1.304 . . . . 2.21 111.775 -177.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 97.8 m-70 -155.35 -76.9 0.1 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.474 -1.392 . . . . 0.67000000000000004 110.519 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.51 ' C ' ' H ' ' A' ' 60' ' ' LYS . 89.2 m-85 -78.58 6.25 9.14 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.457 -0.777 . . . . 0.88 109.651 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.821 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -72.27 20.09 0.07 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.553 -0.717 . . . . 1.0700000000000001 109.293 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.51 ' H ' ' C ' ' A' ' 58' ' ' PHE . 2.3 mmmm -87.62 150.4 48.41 Favored Pre-proline 0 N--CA 1.495 1.805 0 N-CA-C 108.496 -0.927 . . . . 3.6499999999999999 108.496 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -71.66 163.13 39.94 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.287 1.991 . . . . 2.3300000000000001 112.886 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -162.62 -130.68 1.14 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.132 -1.587 . . . . 3.27 109.132 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.355 -1.085 . . . . 5.1799999999999997 108.691 179.304 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.571 0 O4'-C1'-N19 110.395 3.243 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.576 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.467 0 O4'-C1'-N19 110.432 3.29 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.576 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.325 0 O4'-C1'-N19 110.768 3.71 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.508 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.791 0 O4'-C1'-N19 110.835 3.794 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.508 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.016 1 O4'-C1'-N19 111.115 4.144 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.429 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.454 0 O4'-C1'-N19 110.441 3.301 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.429 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.599 0 O4'-C1'-N19 110.68 3.6 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.601 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.455 1 O4'-C1'-N19 111.105 4.132 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.601 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.086 1 O4'-C1'-N19 111.395 4.493 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.544 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.052 0 C3'-C2'-C1' 107.112 3.152 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.544 0 O4'-C1'-N19 110.979 3.974 . . . . 0.95999999999999996 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.606 0 O4'-C1'-N19 110.81 3.762 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.501 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.009 0 O4'-C1'-N19 110.353 3.191 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.566 H2'' " O5'" ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.517 1 O4'-C1'-N19 111.111 4.138 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.566 " O5'" H2'' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.03 0 C3'-C2'-C1' 106.899 2.999 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 0 O4'-C1'-N19 110.334 3.168 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.511 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.678 1 O4'-C1'-N19 111.251 4.313 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.511 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.31 4.388 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.456 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.378 0 O4'-C1'-N19 110.682 3.602 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.456 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.405 1 O4'-C1'-N19 111.204 4.255 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.778 0 O4'-C1'-N19 110.587 3.484 . . . . 0.73999999999999999 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 0 O4'-C1'-N19 110.442 3.303 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo . . . . . 0 N--CA 1.492 1.44 0 CA-C-O 121.215 0.423 . . . . 7.5599999999999996 111.849 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -75.87 168.69 19.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.228 -0.92 . . . . 7.46 109.334 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.1 4.17 0.14 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.091 -1.005 . . . . 4.04 109.194 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -78.3 148.41 33.85 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.504 -0.748 . . . . 4.4900000000000002 109.03 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -89.35 97.78 11.39 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.301 -0.874 . . . . 0.79000000000000004 108.995 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.47 121.61 37.34 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.282 -0.886 . . . . 0.93000000000000005 110.746 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -94.11 8.59 41.02 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.418 -0.801 . . . . 2.1000000000000001 109.923 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.62 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 12.3 t-80 -82.37 -34.33 0.66 Allowed Pre-proline 0 N--CA 1.501 2.121 0 O-C-N 120.85 -1.156 . . . . 3.25 111.882 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 37.1 Cg_exo -58.8 139.29 90.15 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 122.079 1.853 . . . . 1.0 111.843 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 18' ' ' PRO . 84.7 Cg_exo -44.09 179.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.094 1.863 . . . . 1.3700000000000001 112.996 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.65 25.92 64.13 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 110.004 -1.238 . . . . 1.3 110.004 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 21' ' ' THR . 7.8 t -91.51 87.03 6.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.034 -1.274 . . . . 1.05 108.843 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -84.24 139.52 32.3 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.381 -0.825 . . . . 2.5899999999999999 109.255 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -108.04 80.46 1.06 Allowed Pre-proline 0 N--CA 1.499 2.023 0 O-C-N 121.518 -0.739 . . . . 2.3199999999999998 110.372 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.75 135.97 16.49 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 122.015 1.81 . . . . 0.85999999999999999 112.243 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.97 -4.78 30.45 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.276 -0.89 . . . . 3.7400000000000002 110.454 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -69.56 -14.45 62.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.043 -1.035 . . . . 0.87 110.009 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.547 ' NH1' ' N7 ' ' C' ' 114' ' ' ' DA' . 15.4 mmm180 -105.86 -23.34 12.71 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.179 -0.951 . . . . 1.0600000000000001 109.875 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 p -97.16 -29.74 13.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.077 -1.015 . . . . 0.66000000000000003 108.446 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -72.3 -40.23 67.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.304 -0.872 . . . . 2.8199999999999998 108.879 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -58.78 -29.98 67.22 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.43 -0.952 . . . . 0.44 108.43 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -80.59 138.87 36.49 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.516 -0.74 . . . . 1.3 109.358 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -123.87 152.63 66.57 Favored Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 121.561 -0.712 . . . . 2.0699999999999998 109.103 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -41.88 152.68 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.281 0 C-N-CA 121.734 1.623 . . . . 0.47999999999999998 112.168 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 43' ' ' ILE . . . -149.08 131.19 15.39 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.285 -0.884 . . . . 0.27000000000000002 109.736 -179.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 36' ' ' CYS . 35.2 m -116.17 160.78 19.91 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.478 -0.764 . . . . 0.39000000000000001 110.763 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.499 ' N ' HG22 ' A' ' 35' ' ' THR . 8.1 t -106.58 100.63 31.6 Favored Pre-proline 0 N--CA 1.5 2.027 0 O-C-N 121.752 -0.592 . . . . 0.41999999999999998 109.896 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.73 -2.1 0.18 Allowed 'Trans proline' 0 N--CA 1.502 2.019 0 C-N-CA 122.357 2.038 . . . . 0.80000000000000004 113.552 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.9 mt -97.45 -55.0 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 120.994 -1.066 . . . . 0.53000000000000003 109.507 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.677 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.8 p -117.95 15.18 14.26 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 108.571 -0.9 . . . . 0.46999999999999997 108.571 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 36' ' ' CYS . 94.3 m-85 52.72 17.45 0.83 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.783 -0.573 . . . . 0.66000000000000003 110.404 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.677 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.36 134.05 53.33 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.439 -1.319 . . . . 0.38 107.439 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.1 t -94.64 112.94 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.951 -1.093 . . . . 0.41999999999999998 110.892 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.539 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 30.2 mm -111.03 121.39 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.278 -1.378 . . . . 0.26000000000000001 107.278 178.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.445 ' HG2' HH11 ' A' ' 44' ' ' ARG . 14.6 mtt-85 -65.74 -52.65 49.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.791 -1.193 . . . . 2.0499999999999998 110.582 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.56 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 47.5 mt-30 -83.69 137.65 33.68 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.287 -0.883 . . . . 1.22 111.307 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.2 p -66.93 -39.82 87.43 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.258 -0.901 . . . . 0.34999999999999998 110.187 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.56 ' NH2' ' OE1' ' A' ' 45' ' ' GLN . 25.3 ptt180 -59.5 -39.41 83.71 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.07 -1.019 . . . . 0.85999999999999999 109.082 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -67.17 -30.86 70.94 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.146 -0.971 . . . . 0.33000000000000002 108.976 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.51 -45.5 93.57 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.05 -1.031 . . . . 0.37 109.746 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -56.85 -40.16 75.59 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.867 -1.145 . . . . 3.2400000000000002 107.968 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.412 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 44.0 ttp180 -65.61 -37.35 86.37 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.69 -0.856 . . . . 0.45000000000000001 108.69 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -61.61 -39.39 91.09 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.216 -0.928 . . . . 0.33000000000000002 109.87 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.14 -44.19 95.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.085 -1.01 . . . . 0.44 110.607 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.604 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.3 mm-40 -74.31 -14.25 60.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.23 -0.919 . . . . 2.0800000000000001 111.244 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 55' ' ' LEU . 84.2 mt -92.37 -51.95 4.9 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.472 -1.392 . . . . 0.5 112.437 -178.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.537 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 23.2 mmm180 -104.65 11.39 34.16 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.827 -1.17 . . . . 2.21 112.585 -177.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 65.2 m-70 -146.89 -77.96 0.17 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.247 -1.533 . . . . 0.67000000000000004 110.714 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -77.49 21.91 0.26 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.044 -1.035 . . . . 0.88 110.233 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -72.64 -6.7 46.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.472 -0.768 . . . . 1.0700000000000001 110.507 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.556 ' H ' ' CD ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -88.61 147.18 38.91 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 120.705 -1.247 . . . . 3.6499999999999999 109.368 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -72.57 144.57 40.34 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.267 1.978 . . . . 2.3300000000000001 112.497 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.34 -155.32 9.43 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.006 -1.238 . . . . 3.27 110.006 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.499 2.011 0 O-C-N 121.44 -1.035 . . . . 5.1799999999999997 109.326 -179.602 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.561 0 O4'-C1'-N19 110.996 3.995 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.597 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.537 3.422 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.597 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.542 3.842 0 O4'-C1'-N19 110.485 3.356 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.416 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.37 1 O4'-C1'-N19 111.031 4.038 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.416 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.634 1 O4'-C1'-N19 111.006 4.008 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.485 0 O4'-C1'-N19 110.669 3.587 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.574 ' N3 ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.825 3.781 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.471 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.854 0 O4'-C1'-N19 110.308 3.135 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.554 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.612 0 O4'-C1'-N19 110.687 3.609 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.554 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.057 0 O4'-C1'-N19 110.253 3.066 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 1 O4'-C1'-N19 111.012 4.015 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . 0.551 HO5' ' H8 ' ' C' ' 112' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.135 0 O4'-C1'-N19 110.51 3.387 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.469 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.157 0 O4'-C1'-N19 110.456 3.32 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.469 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.937 0 O4'-C1'-N19 110.928 3.91 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.542 0 O4'-C1'-N19 110.515 3.394 . . . . 0.53000000000000003 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.442 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O4'-C1'-N19 110.689 3.611 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.496 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.378 0 O4'-C1'-N19 110.671 3.588 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.496 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.17 1 O4'-C1'-N19 111.883 5.103 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.446 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.351 0 O4'-C1'-N19 110.799 3.749 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.518 ' C6 ' ' C6 ' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.718 1 O4'-C1'-N19 111.145 4.181 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.518 ' C6 ' ' C6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.045 1 O4'-C1'-N19 111.002 4.002 . . . . 0.73999999999999999 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.537 0 O4'-C1'-N19 110.288 3.111 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo . . . . . 0 N--CA 1.492 1.423 0 CA-C-O 121.621 0.592 . . . . 7.5599999999999996 111.755 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -78.45 143.73 36.45 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.397 -0.815 . . . . 7.46 109.584 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.46 52.98 0.51 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.201 -0.937 . . . . 4.04 109.756 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -81.07 100.87 9.24 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.806 -0.813 . . . . 4.4900000000000002 108.806 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.574 ' NH2' ' N3 ' ' B' ' 107' ' ' ' DA' . 60.3 mtp180 -89.02 102.03 14.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.116 -0.99 . . . . 0.79000000000000004 109.39 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.94 104.24 16.12 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.116 -0.99 . . . . 0.93000000000000005 110.836 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -95.65 7.59 45.85 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.146 -0.971 . . . . 2.1000000000000001 109.765 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.604 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 24.0 t-80 -80.02 -30.12 0.59 Allowed Pre-proline 0 N--CA 1.494 1.771 0 O-C-N 121.22 -0.925 . . . . 3.25 112.693 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 73.9 Cg_exo -51.52 156.05 6.6 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 121.791 1.661 . . . . 1.0 112.122 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.93 170.6 0.99 Allowed 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.444 2.096 . . . . 1.3700000000000001 111.829 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.98 24.27 72.29 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.996 -1.242 . . . . 1.3 109.996 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 21' ' ' THR . 7.8 t -93.67 88.54 5.87 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.103 -1.233 . . . . 1.05 109.565 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mp0 -79.71 150.48 30.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.181 -0.95 . . . . 2.5899999999999999 108.906 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -106.07 74.46 0.32 Allowed Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.268 -0.895 . . . . 2.3199999999999998 110.206 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.5 137.32 54.53 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 121.298 1.332 . . . . 0.85999999999999999 111.475 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.419 ' NH1' ' HG2' ' A' ' 25' ' ' ARG . 6.1 tpt180 -71.11 -18.72 62.51 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.35 -0.843 . . . . 3.7400000000000002 110.263 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -65.81 -4.29 6.42 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.02 -1.05 . . . . 0.87 112.218 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.471 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 24.6 mmt180 -104.74 -22.44 13.21 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.809 -1.182 . . . . 1.0600000000000001 109.237 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 p -100.93 -34.07 9.94 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.292 -0.88 . . . . 0.66000000000000003 109.461 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -60.03 -36.51 77.43 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.226 -0.921 . . . . 2.8199999999999998 109.611 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.9 m -56.24 -30.94 63.06 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.018 -1.051 . . . . 0.44 109.457 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.489 ' CG ' HH21 ' A' ' 47' ' ' ARG . 71.7 mm-40 -94.54 138.49 32.37 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.2 -0.937 . . . . 1.3 110.169 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -118.11 153.2 51.26 Favored Pre-proline 0 N--CA 1.494 1.772 0 N-CA-C 108.686 -0.857 . . . . 2.0699999999999998 108.686 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -42.1 154.14 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.851 1.7 . . . . 0.47999999999999998 111.378 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.95 141.83 25.81 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.999 -1.063 . . . . 0.27000000000000002 110.327 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.2 m -117.08 152.14 35.33 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.5 -0.75 . . . . 0.39000000000000001 109.921 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.7 t -88.77 131.08 42.67 Favored Pre-proline 0 N--CA 1.498 1.941 0 O-C-N 121.153 -0.967 . . . . 0.41999999999999998 108.999 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.53 -7.54 15.84 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 121.63 1.554 . . . . 0.80000000000000004 112.736 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 83.3 mt -98.81 -52.66 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.159 -0.963 . . . . 0.53000000000000003 110.052 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.694 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.1 p -118.32 27.0 9.22 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.286 -0.883 . . . . 0.46999999999999997 110.731 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 41.96 18.55 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.309 -0.869 . . . . 0.66000000000000003 111.252 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.694 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.52 136.91 57.66 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.281 -1.377 . . . . 0.38 107.281 178.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.24 114.27 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.009 -1.057 . . . . 0.41999999999999998 110.77 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.3 mm -110.03 129.69 64.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 N-CA-C 108.009 -1.108 . . . . 0.26000000000000001 108.009 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.43 ' HG2' HH11 ' A' ' 44' ' ' ARG . 36.4 mtt-85 -73.13 -65.14 0.84 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.889 -1.132 . . . . 2.0499999999999998 110.624 -178.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -77.62 137.71 38.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.085 -1.01 . . . . 1.22 110.517 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.8 p -65.15 -37.57 87.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.506 -0.747 . . . . 0.34999999999999998 109.642 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.489 HH21 ' CG ' ' A' ' 31' ' ' GLU . 12.7 ptp180 -54.6 -43.95 72.65 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.894 -1.129 . . . . 0.85999999999999999 109.088 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.42 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 83.8 m-20 -63.52 -32.41 73.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.136 -0.978 . . . . 0.33000000000000002 109.532 179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 tp -55.12 -44.05 74.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.893 -1.129 . . . . 0.37 108.992 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.549 ' CG ' HH11 ' A' ' 50' ' ' ARG . 0.0 OUTLIER -59.88 -40.67 89.47 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.089 -1.078 . . . . 3.2400000000000002 108.089 179.425 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -65.26 -35.06 79.87 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.607 0.717 . . . . 0.45000000000000001 109.58 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -63.62 -41.73 98.26 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.475 -0.766 . . . . 0.33000000000000002 109.518 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.01 -40.35 88.93 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.184 -0.947 . . . . 0.44 109.754 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.761 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 92.7 mt-10 -73.7 -27.74 61.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.382 -0.824 . . . . 2.0800000000000001 111.734 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -92.81 -42.05 9.76 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.761 -1.212 . . . . 0.5 112.081 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.53 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 24.4 mmm180 -106.36 17.79 22.9 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 120.729 -1.232 . . . . 2.21 112.761 -177.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.7 m-70 -155.83 -71.24 0.11 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.371 -1.455 . . . . 0.67000000000000004 110.424 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -81.91 14.73 2.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.635 -0.665 . . . . 0.88 110.603 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.761 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -72.23 -3.96 26.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.225 -0.922 . . . . 1.0700000000000001 108.958 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -88.82 147.79 39.91 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.272 -0.892 . . . . 3.6499999999999999 108.957 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.53 168.73 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.063 1.176 . . . . 2.3300000000000001 111.881 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -158.78 109.65 0.41 Allowed Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.672 -1.371 . . . . 3.27 109.672 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.501 2.085 0 CA-C-O 117.921 -1.038 . . . . 5.1799999999999997 109.752 -179.787 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.969 0 O4'-C1'-N19 110.317 3.146 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.639 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.037 0 O4'-C1'-N19 110.808 3.759 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.639 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.487 3.359 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.438 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.939 0 C3'-C2'-C1' 106.882 2.987 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.483 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.94 5.175 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.517 ' N2 ' ' C2 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.914 0 O4'-C1'-N19 110.371 3.213 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.517 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.502 3.378 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.267 1 O4'-C1'-N19 111.595 4.743 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.469 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.884 1 O4'-C1'-N19 111.372 4.465 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.469 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.467 0 O4'-C1'-N19 110.923 3.904 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.469 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.359 1 O4'-C1'-N19 111.299 4.373 . . . . 0.95999999999999996 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.476 0 O4'-C1'-N19 110.732 3.666 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.568 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.295 0 C3'-C2'-C1' 106.886 2.99 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.568 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.013 1 O4'-C1'-N19 111.41 4.512 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.559 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.119 0 O4'-C1'-N19 110.212 3.015 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.582 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.186 0 C3'-C2'-C1' 107.102 3.145 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.582 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.63 1 O4'-C1'-N19 111.06 4.075 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.541 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.896 1 O4'-C1'-N19 111.739 4.924 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.473 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.755 1 O4'-C1'-N19 111.187 4.233 . . . . 0.64000000000000001 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.568 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.599 0 O4'-C1'-N19 110.794 3.743 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.568 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.314 1 O4'-C1'-N19 111.016 4.02 . . . . 0.73999999999999999 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . 0.433 ' H6 ' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.319 0 C3'-C2'-C1' 107.142 3.173 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo . . . . . 0 N--CA 1.491 1.364 0 CA-C-O 121.198 0.416 . . . . 7.5599999999999996 111.687 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.445 ' CD ' ' H ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -79.89 148.99 31.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 7.46 108.757 179.172 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.71 12.51 0.16 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.976 -1.078 . . . . 4.04 110.41 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.31 112.38 21.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.732 -1.23 . . . . 4.4900000000000002 108.341 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -94.39 106.47 18.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.258 -0.901 . . . . 0.79000000000000004 109.062 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.24 124.52 34.94 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.962 -1.086 . . . . 0.93000000000000005 111.604 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' CB ' ' NZ ' ' A' ' 16' ' ' LYS . 7.8 mtpm? -92.81 12.25 24.21 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.756 -0.831 . . . . 2.1000000000000001 108.756 178.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 55.3 t-80 -82.31 -30.39 0.51 Allowed Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.164 -0.96 . . . . 3.25 112.589 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.2 Cg_exo -53.97 154.35 17.72 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 121.589 1.526 . . . . 1.0 111.964 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -76.78 -179.49 5.43 Favored 'Trans proline' 0 N--CA 1.502 1.992 0 C-N-CA 123.222 2.615 . . . . 1.3700000000000001 112.889 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.33 24.54 68.08 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.331 -1.108 . . . . 1.3 110.331 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 21' ' ' THR . 3.3 t -94.1 89.3 5.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.164 -1.198 . . . . 1.05 108.927 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -79.08 154.97 28.99 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.276 -0.89 . . . . 2.5899999999999999 108.864 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -108.05 75.97 0.57 Allowed Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.462 -0.774 . . . . 2.3199999999999998 110.242 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.78 142.85 32.62 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.357 1.372 . . . . 0.85999999999999999 111.031 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -70.95 -8.26 51.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.955 -1.091 . . . . 3.7400000000000002 110.862 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.8 m -70.3 -6.84 37.97 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.056 -1.027 . . . . 0.87 110.231 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -100.66 -24.85 14.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.327 -0.858 . . . . 1.0600000000000001 110.086 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.4 p -108.84 -30.98 7.87 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.271 -0.893 . . . . 0.66000000000000003 109.465 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -62.28 -38.48 89.51 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.05 -1.031 . . . . 2.8199999999999998 108.727 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.1 m -56.54 -32.97 65.63 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.504 0.669 . . . . 0.44 109.418 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -92.32 147.53 22.85 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.437 -0.789 . . . . 1.3 110.278 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -120.46 152.98 56.0 Favored Pre-proline 0 N--CA 1.498 1.959 0 N-CA-C 108.603 -0.888 . . . . 2.0699999999999998 108.603 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -48.1 149.93 5.49 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.452 2.101 . . . . 0.47999999999999998 111.904 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.11 135.14 26.97 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.571 -0.706 . . . . 0.27000000000000002 110.26 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -115.16 144.8 43.13 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.148 -0.97 . . . . 0.39000000000000001 110.226 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -77.73 130.83 72.3 Favored Pre-proline 0 C--N 1.303 -1.452 0 N-CA-C 108.701 -0.852 . . . . 0.41999999999999998 108.701 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.04 -7.11 16.22 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 121.841 1.694 . . . . 0.80000000000000004 112.1 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.4 mt -100.88 -58.49 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.276 -0.89 . . . . 0.53000000000000003 111.069 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.5 p -111.18 19.64 18.16 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.186 -0.946 . . . . 0.46999999999999997 110.759 -178.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 52.22 13.83 0.31 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.244 -0.91 . . . . 0.66000000000000003 111.591 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.588 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -54.05 134.75 43.77 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.465 -1.309 . . . . 0.38 107.465 178.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -93.41 109.79 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.756 -1.215 . . . . 0.41999999999999998 109.953 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.2 mm -104.77 128.7 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 107.662 -1.236 . . . . 0.26000000000000001 107.662 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.446 ' HG2' HH11 ' A' ' 44' ' ' ARG . 19.3 mtt-85 -73.81 -61.82 1.71 Allowed 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.919 -1.113 . . . . 2.0499999999999998 110.677 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.483 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 91.1 mt-30 -79.21 134.38 36.68 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.025 -1.047 . . . . 1.22 109.522 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -64.12 -30.54 71.6 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.587 -0.845 . . . . 0.34999999999999998 109.206 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 10.4 ptp180 -57.76 -44.45 86.15 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.828 -1.17 . . . . 0.85999999999999999 108.811 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.458 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 84.5 m-20 -64.84 -30.7 71.72 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.23 -0.919 . . . . 0.33000000000000002 109.386 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.7 tp -56.12 -46.64 79.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.037 -1.04 . . . . 0.37 108.693 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -59.87 -40.7 89.55 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.11 -1.071 . . . . 3.2400000000000002 108.11 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -66.63 -37.23 84.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.467 -0.771 . . . . 0.45000000000000001 108.976 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -60.13 -39.54 86.62 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 109.29 -0.633 . . . . 0.33000000000000002 109.29 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.67 -39.93 82.08 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.961 -1.087 . . . . 0.44 109.438 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.799 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 60.8 mm-40 -76.22 -22.18 55.52 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.155 -0.966 . . . . 2.0800000000000001 112.786 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -93.58 -42.18 9.35 Favored 'General case' 0 N--CA 1.509 2.475 0 O-C-N 120.451 -1.406 . . . . 0.5 112.157 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.535 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.6 mmm180 -106.56 16.44 24.6 Favored 'General case' 0 N--CA 1.507 2.396 0 O-C-N 120.921 -1.112 . . . . 2.21 112.318 -177.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 95.0 m-70 -155.26 -70.95 0.12 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.364 -1.46 . . . . 0.67000000000000004 111.002 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.439 ' C ' ' H ' ' A' ' 60' ' ' LYS . 57.3 m-85 -80.58 12.99 2.73 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.117 -0.989 . . . . 0.88 109.026 -179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.799 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -75.4 18.54 0.21 Allowed 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 109.179 -0.675 . . . . 1.0700000000000001 109.179 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -86.92 152.65 53.92 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.331 -0.856 . . . . 3.6499999999999999 109.162 -179.514 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -74.69 135.41 19.67 Favored 'Trans proline' 0 N--CA 1.489 1.232 0 C-N-CA 121.854 1.702 . . . . 2.3300000000000001 111.77 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.77 -2.99 89.0 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.831 -1.308 . . . . 3.27 109.831 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.495 1.825 0 O-C-N 121.289 -1.124 . . . . 5.1799999999999997 109.223 179.538 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.253 0 O4'-C1'-N19 110.466 3.333 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.643 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.874 0 C3'-C2'-C1' 107.256 3.254 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.643 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.222 0 O4'-C1'-N19 110.555 3.443 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.466 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.704 1 O4'-C1'-N19 111.216 4.27 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.456 " O4'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.444 1 O4'-C1'-N19 111.859 5.074 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.538 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.664 0 O4'-C1'-N19 110.419 3.274 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.538 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.018 0 O4'-C1'-N19 110.41 3.262 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.488 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.902 1 O4'-C1'-N19 111.453 4.566 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.517 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.168 0 C3'-C2'-C1' 106.905 3.003 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.517 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.268 0 O4'-C1'-N19 110.578 3.473 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.494 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.413 0 O4'-C1'-N19 110.71 3.637 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 0 O4'-C1'-N19 110.985 3.981 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.496 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.204 0 O4'-C1'-N19 110.59 3.487 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.496 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.46 0 O4'-C1'-N19 110.447 3.308 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.478 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.803 0 O4'-C1'-N19 110.133 2.916 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 0 O4'-C1'-N19 110.489 3.362 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.401 1 O4'-C1'-N19 111.366 4.458 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.508 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.742 1 O4'-C1'-N19 111.599 4.749 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.508 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.904 1 O4'-C1'-N19 111.522 4.652 . . . . 0.64000000000000001 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.42 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.425 1 O4'-C1'-N19 111.379 4.474 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.006 0 O4'-C1'-N19 110.345 3.182 . . . . 0.73999999999999999 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.651 0 O4'-C1'-N19 110.577 3.472 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo . . . . . 0 N--CA 1.492 1.43 0 CA-C-O 121.181 0.409 . . . . 7.5599999999999996 112.752 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.94 143.81 29.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.142 -0.974 . . . . 7.46 109.424 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.21 -112.87 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.085 -1.009 . . . . 4.04 109.036 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -74.55 160.39 30.95 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.036 -1.04 . . . . 4.4900000000000002 110.079 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -83.95 98.45 9.81 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.058 -1.026 . . . . 0.79000000000000004 109.693 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.95 110.2 21.44 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.277 -0.89 . . . . 0.93000000000000005 109.67 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -94.82 5.07 52.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.314 -0.867 . . . . 2.1000000000000001 110.03 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.595 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.3 t-160 -80.87 -36.7 0.91 Allowed Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.026 -1.046 . . . . 3.25 112.322 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 78.5 Cg_exo -50.41 138.93 38.06 Favored 'Trans proline' 0 N--CA 1.504 2.103 0 C-N-CA 122.692 2.262 . . . . 1.0 113.948 -177.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -47.5 179.23 0.01 OUTLIER 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.07 1.847 . . . . 1.3700000000000001 113.068 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.73 27.24 61.22 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.94 -1.264 . . . . 1.3 109.94 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.734 HG23 ' O ' ' A' ' 21' ' ' THR . 8.8 t -97.2 90.11 5.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.328 -1.101 . . . . 1.05 109.715 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -77.66 138.46 39.1 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.127 -1.434 . . . . 2.5899999999999999 107.127 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HA ' ' HZ3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -109.78 77.59 1.09 Allowed Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 121.536 -0.728 . . . . 2.3199999999999998 111.485 -178.531 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -52.61 145.03 39.8 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 N-CA-C 109.587 -0.967 . . . . 0.85999999999999999 109.587 177.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -67.58 -22.68 65.37 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.057 -1.027 . . . . 3.7400000000000002 109.511 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.6 m -68.71 -13.84 62.64 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.501 -0.749 . . . . 0.87 111.956 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.488 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 28.7 mmt180 -76.88 -49.57 15.38 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.535 -1.353 . . . . 1.0600000000000001 111.453 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -95.32 -30.84 13.73 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.721 -1.237 . . . . 0.66000000000000003 110.079 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -60.54 -36.0 77.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.831 -1.168 . . . . 2.8199999999999998 109.707 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 m -59.81 -30.37 68.87 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.261 -0.899 . . . . 0.44 110.029 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -86.79 137.75 32.16 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.943 -1.098 . . . . 1.3 109.989 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -119.37 152.17 52.3 Favored Pre-proline 0 N--CA 1.505 2.292 0 O-C-N 121.587 -0.696 . . . . 2.0699999999999998 109.644 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -42.61 152.82 0.17 Allowed 'Trans proline' 0 N--CA 1.488 1.196 0 C-N-CA 121.866 1.711 . . . . 0.47999999999999998 111.767 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.0 139.28 28.96 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.331 -0.856 . . . . 0.27000000000000002 109.97 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.2 m -117.92 145.58 44.56 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.596 -0.69 . . . . 0.39000000000000001 110.279 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.6 t -86.08 127.73 60.67 Favored Pre-proline 0 N--CA 1.492 1.651 0 N-CA-C 108.615 -0.883 . . . . 0.41999999999999998 108.615 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.67 -3.29 13.18 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.641 1.561 . . . . 0.80000000000000004 112.633 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 75.5 mt -98.39 -48.79 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.305 -0.872 . . . . 0.53000000000000003 109.957 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.629 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.4 p -124.23 24.62 8.04 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.391 -0.818 . . . . 0.46999999999999997 110.144 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 46.85 18.69 0.07 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.3 -0.875 . . . . 0.66000000000000003 111.299 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.629 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.63 138.99 57.56 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.351 -1.351 . . . . 0.38 107.351 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.7 t -99.78 110.87 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.044 -1.035 . . . . 0.41999999999999998 110.38 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.1 mm -107.03 131.76 56.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 N-CA-C 106.524 -1.658 . . . . 0.26000000000000001 106.524 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' HG2' HH11 ' A' ' 44' ' ' ARG . 30.2 mtt-85 -71.58 -63.4 1.13 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.658 -1.276 . . . . 2.0499999999999998 111.218 -177.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.532 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 92.5 mt-30 -78.73 137.2 37.66 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.23 -0.918 . . . . 1.22 110.614 -178.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.2 p -64.49 -37.35 87.22 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.82 -0.55 . . . . 0.34999999999999998 110.774 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.532 ' NH2' ' OE1' ' A' ' 45' ' ' GLN . 24.7 ptt180 -59.11 -36.01 74.42 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.479 -1.388 . . . . 0.85999999999999999 109.274 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -73.37 -23.16 60.15 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.104 -0.997 . . . . 0.33000000000000002 109.113 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.5 tp -59.78 -48.1 83.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.085 -1.009 . . . . 0.37 108.528 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -59.34 -40.2 85.59 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.644 -1.243 . . . . 3.2400000000000002 107.644 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -61.28 -36.63 80.58 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.521 0.676 . . . . 0.45000000000000001 109.682 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -64.67 -36.64 84.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.33000000000000002 109.472 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.51 -41.09 93.63 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.241 -0.912 . . . . 0.44 110.186 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.648 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 97.3 mt-10 -74.67 -16.18 60.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.293 -0.879 . . . . 2.0800000000000001 110.888 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.4 mt -95.92 -48.9 5.52 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.869 -1.145 . . . . 0.5 112.553 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.542 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 21.7 mmm180 -105.95 14.81 27.46 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 121.007 -1.058 . . . . 2.21 112.353 -177.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.542 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 84.9 m-70 -150.69 -73.87 0.16 Allowed 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.277 -1.514 . . . . 0.67000000000000004 111.188 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -79.42 13.01 2.13 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.383 -0.823 . . . . 0.88 109.141 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.47 4.44 3.02 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 109.492 -0.559 . . . . 1.0700000000000001 109.492 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.68 145.34 36.82 Favored Pre-proline 0 N--CA 1.491 1.595 0 N-CA-C 108.202 -1.036 . . . . 3.6499999999999999 108.202 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.55 158.55 56.61 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.002 1.801 . . . . 2.3300000000000001 111.816 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.55 109.7 2.89 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.155 -1.578 . . . . 3.27 109.155 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.501 2.106 0 O-C-N 121.365 -1.08 . . . . 5.1799999999999997 109.958 -179.537 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.585 HO5' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.941 0 O4'-C1'-N19 110.324 3.155 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.543 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.613 0 O4'-C1'-N19 110.846 3.807 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.543 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.708 0 O4'-C1'-N19 110.753 3.691 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.512 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.19 0 O4'-C1'-N19 110.55 3.438 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.941 1 O4'-C1'-N19 111.472 4.591 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.475 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.617 2.43 0 O4'-C1'-N19 110.563 3.454 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.475 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.762 1 O4'-C1'-N19 111.212 4.265 . . . . 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.476 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.165 1 O4'-C1'-N19 111.327 4.408 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.395 1 O4'-C1'-N19 111.231 4.289 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.445 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.61 0 O4'-C1'-N19 110.762 3.702 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.445 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.769 1 O4'-C1'-N19 111.39 4.487 . . . . 0.95999999999999996 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.952 0 O4'-C1'-N19 110.724 3.655 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.478 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.941 0 O4'-C1'-N19 110.281 3.102 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.478 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.967 0 O4'-C1'-N19 110.857 3.821 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.469 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.029 0 O4'-C1'-N19 110.694 3.618 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.622 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.311 0 O4'-C1'-N19 110.309 3.137 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.622 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.952 1 O4'-C1'-N19 111.375 4.469 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.533 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.118 1 O4'-C1'-N19 111.196 4.245 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.645 1 O4'-C1'-N19 111.144 4.18 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.649 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.527 0 O4'-C1'-N19 110.368 3.21 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.649 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.67 1 O4'-C1'-N19 111.069 4.086 . . . . 0.73999999999999999 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.996 0 O4'-C1'-N19 110.55 3.438 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo . . . . . 0 N--CA 1.488 1.151 0 CA-C-O 121.055 0.356 . . . . 7.5599999999999996 112.595 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -76.75 159.15 30.4 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.357 -0.84 . . . . 7.46 109.674 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.88 11.26 0.15 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.48 -0.762 . . . . 4.04 109.01 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -79.36 136.33 36.96 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.317 -0.864 . . . . 4.4900000000000002 109.639 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -87.23 109.28 19.38 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.705 -0.622 . . . . 0.79000000000000004 109.368 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.47 130.41 42.31 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.262 -0.899 . . . . 0.93000000000000005 110.277 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -94.8 1.26 55.38 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.439 -0.788 . . . . 2.1000000000000001 110.815 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.636 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 45.4 t-80 -83.54 -30.98 0.49 Allowed Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 120.897 -1.127 . . . . 3.25 112.746 -178.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 77.2 Cg_exo -49.24 153.09 4.78 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.223 1.949 . . . . 1.0 112.322 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -73.58 170.09 20.8 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.81 2.34 . . . . 1.3700000000000001 112.25 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.87 13.99 81.48 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 110.304 -1.119 . . . . 1.3 110.304 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 21' ' ' THR . 9.0 t -91.61 91.41 8.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.951 -1.323 . . . . 1.05 109.492 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -79.72 159.62 26.56 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.777 -0.823 . . . . 2.5899999999999999 108.777 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -106.37 69.02 0.22 Allowed Pre-proline 0 N--CA 1.499 1.987 0 O-C-N 121.46 -0.775 . . . . 2.3199999999999998 110.153 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -63.31 134.34 44.79 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 121.538 1.492 . . . . 0.85999999999999999 111.656 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' A' ' 25' ' ' ARG . 62.5 mtt-85 -75.01 -3.98 35.6 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.3 -0.875 . . . . 3.7400000000000002 110.212 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -69.97 -15.66 63.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.821 -1.175 . . . . 0.87 109.202 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.476 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 26.5 mmt180 -97.22 -18.08 19.46 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.245 -0.909 . . . . 1.0600000000000001 109.839 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.5 p -105.56 -30.13 9.71 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.106 -0.996 . . . . 0.66000000000000003 110.569 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -67.65 -29.63 68.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.898 -1.126 . . . . 2.8199999999999998 109.136 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 m -60.75 -32.33 71.63 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.797 0.808 . . . . 0.44 108.838 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -93.41 139.24 30.92 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 109.058 -0.719 . . . . 1.3 109.058 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.503 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 0.9 OUTLIER -116.1 150.72 45.65 Favored Pre-proline 0 N--CA 1.502 2.138 0 O-C-N 121.613 -0.679 . . . . 2.0699999999999998 109.694 -179.66 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -38.73 150.26 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.515 2.143 . . . . 0.47999999999999998 112.048 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -147.04 132.33 18.47 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.283 -0.886 . . . . 0.27000000000000002 110.646 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.5 HG22 ' N ' ' A' ' 36' ' ' CYS . 90.8 m -110.47 161.79 15.33 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.626 -0.671 . . . . 0.39000000000000001 109.282 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.554 ' O ' ' N ' ' A' ' 40' ' ' TYR . 18.0 t -105.86 103.17 42.89 Favored Pre-proline 0 N--CA 1.499 1.995 0 O-C-N 121.566 -0.709 . . . . 0.41999999999999998 109.472 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.53 -1.31 0.67 Allowed 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 121.812 1.674 . . . . 0.80000000000000004 113.125 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 75.7 mt -97.4 -46.95 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.027 -1.046 . . . . 0.53000000000000003 109.321 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 18.3 p -123.93 10.48 8.88 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.386 -0.821 . . . . 0.46999999999999997 109.05 178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.554 ' N ' ' O ' ' A' ' 36' ' ' CYS . 96.2 m-85 55.57 18.82 2.91 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.534 -0.729 . . . . 0.66000000000000003 110.361 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.627 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.95 140.03 56.99 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.663 -1.236 . . . . 0.38 107.663 178.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.4 t -95.44 110.03 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.055 -1.028 . . . . 0.41999999999999998 110.3 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 34' ' ' ALA . 39.1 mm -108.07 129.45 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 106.348 -1.723 . . . . 0.26000000000000001 106.348 177.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.467 ' HG2' HH11 ' A' ' 44' ' ' ARG . 10.3 mtt-85 -70.4 -61.23 1.85 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.625 -1.297 . . . . 2.0499999999999998 110.596 -177.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.716 HE22 ' NH2' ' A' ' 47' ' ' ARG . 98.3 mt-30 -77.45 139.7 39.7 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.169 -0.957 . . . . 1.22 109.921 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.5 p -70.35 -40.22 74.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.179 -0.951 . . . . 0.34999999999999998 109.836 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.716 ' NH2' HE22 ' A' ' 45' ' ' GLN . 27.0 ptt180 -55.3 -41.41 72.32 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.756 -1.215 . . . . 0.85999999999999999 108.745 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -66.08 -29.87 70.28 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.126 -0.984 . . . . 0.33000000000000002 109.73 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.458 HD22 ' HB1' ' A' ' 34' ' ' ALA . 60.2 tp -60.0 -44.11 94.75 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.025 -1.047 . . . . 0.37 109.688 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.459 ' HG2' HH11 ' A' ' 50' ' ' ARG . 16.9 ttt-85 -60.02 -41.13 91.52 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.943 -1.098 . . . . 3.2400000000000002 108.702 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.438 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 42.3 ttp180 -64.61 -34.53 78.48 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.578 -0.849 . . . . 0.45000000000000001 109.04 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -63.35 -35.59 80.89 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.212 -0.93 . . . . 0.33000000000000002 109.199 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.38 -48.72 80.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.933 . . . . 0.44 110.253 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.728 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 71.5 mt-10 -68.81 -20.91 64.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.124 -0.985 . . . . 2.0800000000000001 111.558 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.9 mt -93.17 -32.27 14.46 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.68 -1.263 . . . . 0.5 112.381 -178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.516 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 16.4 mmm-85 -115.53 0.78 13.44 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 120.927 -1.108 . . . . 2.21 112.859 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 60.9 m-70 -146.0 -68.22 0.28 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 120.324 -1.485 . . . . 0.67000000000000004 110.594 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.7 15.94 0.95 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.063 -1.023 . . . . 0.88 110.181 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.37 -6.4 39.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.287 -0.883 . . . . 1.0700000000000001 108.962 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -90.24 148.05 38.3 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.087 -1.008 . . . . 3.6499999999999999 108.726 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.84 128.92 12.88 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.328 2.019 . . . . 2.3300000000000001 110.826 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.62 -7.25 88.64 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.803 -1.319 . . . . 3.27 109.803 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 117.787 -1.101 . . . . 5.1799999999999997 109.059 179.748 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.963 0 O4'-C1'-N19 110.602 3.502 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.431 0 O4'-C1'-N19 110.491 3.364 . . . . 0.77000000000000002 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.552 0 O4'-C1'-N19 109.988 2.735 . . . . 0.65000000000000002 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.561 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.837 3.797 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.561 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.543 3.958 1 O4'-C1'-N19 111.198 4.247 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.651 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.74 0 C3'-C2'-C1' 107.033 3.095 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.651 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.038 0 O4'-C1'-N19 110.393 3.241 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.521 " O5'" H2'' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.116 0 O4'-C1'-N19 110.954 3.942 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.454 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.938 1 O4'-C1'-N19 111.266 4.333 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.505 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.961 0 C3'-C2'-C1' 107.129 3.164 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.505 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.365 1 O4'-C1'-N19 111.146 4.182 . . . . 0.95999999999999996 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.436 0 O4'-C1'-N19 110.637 3.546 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 0 C3'-C2'-C1' 106.694 2.853 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.547 H2'' " O5'" ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.016 0 O4'-C1'-N19 110.842 3.802 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.547 " O5'" H2'' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.401 0 O4'-C1'-N19 110.222 3.027 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.511 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.059 0 O4'-C1'-N19 110.858 3.823 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.512 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.347 0 O4'-C1'-N19 110.936 3.921 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.512 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.465 1 O4'-C1'-N19 111.653 4.817 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.331 1 O4'-C1'-N19 111.162 4.202 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.414 0 O4'-C1'-N19 110.659 3.574 . . . . 0.68000000000000005 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.683 0 O4'-C1'-N19 110.392 3.24 . . . . 0.73999999999999999 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.705 0 C3'-C2'-C1' 106.972 3.051 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo . . . . . 0 N--CA 1.492 1.43 0 CA-C-O 121.167 0.403 . . . . 7.5599999999999996 111.689 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -79.26 139.78 37.8 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.108 -0.995 . . . . 7.46 108.492 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.35 -72.99 0.1 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.175 -0.953 . . . . 4.04 109.278 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -155.73 109.93 2.85 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.011 -1.056 . . . . 4.4900000000000002 109.666 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -88.88 97.52 11.22 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.951 -1.093 . . . . 0.79000000000000004 108.721 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.41 137.11 36.88 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.214 -0.929 . . . . 0.93000000000000005 110.989 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -93.46 6.67 47.4 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.54 -0.725 . . . . 2.1000000000000001 109.343 178.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.594 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 65.5 t-80 -77.95 -30.91 0.76 Allowed Pre-proline 0 N--CA 1.495 1.812 0 O-C-N 121.181 -0.949 . . . . 3.25 112.699 -177.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.6 Cg_exo -53.51 152.31 21.38 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 121.722 1.615 . . . . 1.0 111.744 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -78.0 176.83 9.52 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.779 2.32 . . . . 1.3700000000000001 112.893 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.23 37.97 54.43 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.157 -1.177 . . . . 1.3 110.157 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 21' ' ' THR . 15.1 t -88.55 99.34 12.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.044 -1.268 . . . . 1.05 109.36 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -82.14 145.02 30.35 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.602 -0.888 . . . . 2.5899999999999999 108.602 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.508 ' HZ3' ' HB3' ' A' ' 23' ' ' LYS . 7.7 mmmm -106.77 72.36 0.3 Allowed Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 121.526 -0.734 . . . . 2.3199999999999998 111.22 -178.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.88 136.79 33.55 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.548 1.498 . . . . 0.85999999999999999 111.667 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.55 ' HG2' HH11 ' A' ' 25' ' ' ARG . 20.7 mtt-85 -72.51 -10.02 59.28 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.329 -0.857 . . . . 3.7400000000000002 110.096 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -72.01 1.06 7.89 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.093 -1.004 . . . . 0.87 111.054 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -101.1 -26.84 13.55 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.712 -1.243 . . . . 1.0600000000000001 109.503 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 p -111.07 -33.24 6.53 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.545 -0.722 . . . . 0.66000000000000003 110.089 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' OE1' ' O ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -61.13 -40.0 92.15 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.463 -0.773 . . . . 2.8199999999999998 110.133 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.3 m -60.6 -30.81 70.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.353 -0.842 . . . . 0.44 109.224 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -90.34 134.83 34.06 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.442 -0.786 . . . . 1.3 109.803 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -115.02 148.91 41.59 Favored Pre-proline 0 N--CA 1.503 2.18 0 N-CA-C 108.755 -0.832 . . . . 2.0699999999999998 108.755 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -37.38 155.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.242 0 C-N-CA 122.256 1.971 . . . . 0.47999999999999998 112.878 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -147.89 132.93 18.21 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.349 -0.844 . . . . 0.27000000000000002 110.149 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.0 m -112.4 145.61 39.82 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.579 -0.701 . . . . 0.39000000000000001 109.642 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.29 129.67 54.7 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.123 -0.986 . . . . 0.41999999999999998 108.522 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -78.58 -5.85 15.05 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 121.571 1.514 . . . . 0.80000000000000004 112.932 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 38' ' ' ILE . 49.1 mt -99.41 -43.71 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.225 -0.922 . . . . 0.53000000000000003 110.539 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.5 p -126.95 19.15 7.14 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.204 -0.935 . . . . 0.46999999999999997 110.33 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 52.93 14.48 0.45 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.465 -0.772 . . . . 0.66000000000000003 111.727 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.521 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.02 139.94 53.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.541 -1.349 . . . . 0.38 108.233 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.7 t -94.46 116.83 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.061 -1.024 . . . . 0.41999999999999998 109.993 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' ALA . 30.9 mm -111.92 129.99 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 106.777 -1.564 . . . . 0.26000000000000001 106.777 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -75.45 -62.6 1.52 Allowed 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.557 -1.34 . . . . 2.0499999999999998 109.935 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -80.97 133.16 35.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.908 -1.12 . . . . 1.22 110.603 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.8 p -63.99 -28.07 69.56 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.508 -0.745 . . . . 0.34999999999999998 110.265 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -59.69 -40.04 86.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.543 -1.348 . . . . 0.85999999999999999 108.358 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -70.8 -26.63 63.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.4 -0.813 . . . . 0.33000000000000002 109.389 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.7 tp -57.96 -47.33 83.24 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 119.183 -1.007 . . . . 0.37 108.339 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.54 ' HG2' HH11 ' A' ' 50' ' ' ARG . 7.4 mmt-85 -59.03 -40.89 86.39 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.05 -1.031 . . . . 3.2400000000000002 108.257 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -63.28 -39.27 94.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.444 -0.785 . . . . 0.45000000000000001 109.195 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -61.16 -36.82 80.83 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.519 -0.738 . . . . 0.33000000000000002 109.468 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.12 -44.68 96.97 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.929 -1.107 . . . . 0.44 109.447 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.757 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 92.3 mt-10 -70.85 -28.85 64.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.305 -0.872 . . . . 2.0800000000000001 112.033 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.1 mt -85.91 -48.9 8.3 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.692 -1.255 . . . . 0.5 112.73 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.5 mmm180 -103.37 18.3 22.12 Favored 'General case' 0 N--CA 1.507 2.421 0 O-C-N 120.798 -1.189 . . . . 2.21 112.261 -177.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.488 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 95.3 m-70 -153.6 -76.7 0.11 Allowed 'General case' 0 N--CA 1.502 2.162 0 O-C-N 119.978 -1.702 . . . . 0.67000000000000004 111.273 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -79.44 20.31 0.56 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.982 -1.074 . . . . 0.88 110.138 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -73.08 1.64 8.64 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 121.585 -0.697 . . . . 1.0700000000000001 109.54 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -86.86 134.66 36.73 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.044 -1.035 . . . . 3.6499999999999999 109.185 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -47.08 142.19 11.66 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 121.527 1.485 . . . . 2.3300000000000001 111.597 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.06 -149.31 0.04 OUTLIER Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.998 -1.641 . . . . 3.27 108.998 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.496 1.831 0 O-C-N 121.219 -1.165 . . . . 5.1799999999999997 109.904 -179.764 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.43 HO5' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.442 0 O4'-C1'-N19 110.462 3.327 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.543 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.689 0 O4'-C1'-N19 110.62 3.525 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.543 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.299 0 O4'-C1'-N19 110.884 3.855 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.481 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.569 0 O4'-C1'-N19 110.766 3.707 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.481 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.335 1 O4'-C1'-N19 111.739 4.923 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.417 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.331 0 O4'-C1'-N19 110.475 3.344 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.621 H2'' " O5'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.382 0 O4'-C1'-N19 110.465 3.332 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.621 " O5'" H2'' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.675 1 O4'-C1'-N19 111.4 4.5 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.545 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.533 0 C3'-C2'-C1' 106.801 2.929 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.545 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.401 0 O4'-C1'-N19 110.589 3.486 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.704 1 O4'-C1'-N19 111.44 4.549 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.464 0 O4'-C1'-N19 110.464 3.33 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.486 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.538 0 O4'-C1'-N19 110.77 3.713 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.514 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.941 0 O4'-C1'-N19 110.992 3.99 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.514 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.805 0 C3'-C2'-C1' 106.859 2.971 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.574 ' OP2' ' H71' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.945 3.931 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.512 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.932 1 O4'-C1'-N19 112.122 5.403 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.443 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.594 1 O4'-C1'-N19 111.371 4.464 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.443 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.061 0 O4'-C1'-N19 110.646 3.558 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.557 1 O4'-C1'-N19 111.788 4.985 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.233 0 C3'-C2'-C1' 107.084 3.131 . . . . 0.73999999999999999 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.391 0 O4'-C1'-N19 110.655 3.569 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo . . . . . 0 N--CA 1.492 1.389 0 CA-C-O 121.274 0.447 . . . . 7.5599999999999996 112.432 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -77.25 142.87 39.31 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.37 -0.831 . . . . 7.46 108.995 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.57 119.24 3.32 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.676 -0.861 . . . . 4.04 108.676 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -156.57 67.85 0.57 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.071 -1.018 . . . . 4.4900000000000002 110.112 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -83.52 100.59 10.87 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.555 -1.341 . . . . 0.79000000000000004 108.801 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.14 113.9 26.29 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.299 -0.876 . . . . 0.93000000000000005 110.293 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -95.97 10.93 35.74 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.395 -0.816 . . . . 2.1000000000000001 109.811 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.623 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 66.8 t-80 -81.38 -28.9 0.49 Allowed Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.226 -0.921 . . . . 3.25 112.466 -179.058 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 76.5 Cg_exo -50.36 155.91 4.49 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 121.406 1.404 . . . . 1.0 111.006 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.03 179.94 3.98 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.019 1.813 . . . . 1.3700000000000001 112.143 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.68 15.82 79.28 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.319 -1.512 . . . . 1.3 109.319 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 21' ' ' THR . 8.8 t -91.85 91.61 7.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.362 -1.081 . . . . 1.05 108.983 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -73.68 149.09 42.16 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.576 -0.702 . . . . 2.5899999999999999 109.475 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -106.66 72.96 0.31 Allowed Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.474 -0.767 . . . . 2.3199999999999998 110.464 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.25 141.73 63.92 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 121.775 1.65 . . . . 0.85999999999999999 111.953 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -73.49 -6.51 46.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.131 -0.981 . . . . 3.7400000000000002 110.113 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -72.02 -7.05 46.55 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.205 -0.935 . . . . 0.87 109.308 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.2 mmt-85 -104.29 -23.54 13.21 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.454 -0.779 . . . . 1.0600000000000001 109.943 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 p -107.9 -36.47 6.36 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.368 -0.832 . . . . 0.66000000000000003 109.182 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.97 -42.64 94.57 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.079 -1.013 . . . . 2.8199999999999998 109.818 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.2 m -55.25 -30.09 59.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.041 -1.037 . . . . 0.44 109.932 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -92.79 137.39 32.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.131 -0.981 . . . . 1.3 109.758 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -117.15 153.66 49.81 Favored Pre-proline 0 N--CA 1.497 1.91 0 N-CA-C 108.278 -1.008 . . . . 2.0699999999999998 108.278 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.08 153.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 121.414 1.409 . . . . 0.47999999999999998 112.188 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.51 133.5 22.68 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.511 -0.743 . . . . 0.27000000000000002 110.209 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 36' ' ' CYS . 38.7 m -111.08 161.46 15.88 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.907 -0.775 . . . . 0.39000000000000001 108.907 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.447 ' N ' HG22 ' A' ' 35' ' ' THR . 2.9 t -102.76 106.26 49.06 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.381 -0.825 . . . . 0.41999999999999998 109.179 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.66 -5.78 0.33 Allowed 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 121.607 1.538 . . . . 0.80000000000000004 112.793 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mt -97.9 -68.5 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 120.915 -1.116 . . . . 0.53000000000000003 110.243 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.639 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.9 p -104.47 21.45 16.69 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.32 -0.862 . . . . 0.46999999999999997 109.413 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 47.5 17.78 0.09 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.646 -0.659 . . . . 0.66000000000000003 111.429 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.639 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.59 141.57 47.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.965 -1.084 . . . . 0.38 108.277 178.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 t -96.41 115.41 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 120.853 -1.154 . . . . 0.41999999999999998 110.33 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' ALA . 33.1 mm -110.96 124.52 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 N-CA-C 107.235 -1.394 . . . . 0.26000000000000001 107.235 177.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -69.85 -56.81 6.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.635 -1.291 . . . . 2.0499999999999998 110.173 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.446 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 95.2 mt-30 -83.2 134.62 34.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.1 -1.0 . . . . 1.22 110.806 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.6 p -64.48 -40.17 95.18 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.437 -0.79 . . . . 0.34999999999999998 110.928 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -56.87 -36.79 70.48 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.56 -1.338 . . . . 0.85999999999999999 108.937 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -68.83 -28.11 66.44 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.206 -0.934 . . . . 0.33000000000000002 109.212 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.49 -46.55 88.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.937 -1.102 . . . . 0.37 109.138 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -57.36 -43.23 83.34 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.872 -1.158 . . . . 3.2400000000000002 107.872 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -60.41 -38.82 85.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.404 -0.81 . . . . 0.45000000000000001 109.424 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -60.63 -39.42 88.2 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.488 -0.758 . . . . 0.33000000000000002 109.911 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.44 -40.47 86.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.909 -1.12 . . . . 0.44 109.173 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.922 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 66.8 mm-40 -74.35 -26.77 60.33 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.612 -0.68 . . . . 2.0800000000000001 112.236 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.5 mt -92.69 -44.04 8.76 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.641 -1.287 . . . . 0.5 112.793 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 3.5 mmp_? -103.98 20.63 17.84 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 120.418 -1.426 . . . . 2.21 112.745 -178.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.5 m-70 -152.74 -69.36 0.15 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.052 -1.655 . . . . 0.67000000000000004 111.553 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -78.94 -2.36 39.64 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.51 -1.369 . . . . 0.88 108.599 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.922 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -73.73 -2.1 21.94 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 109.0 -0.741 . . . . 1.0700000000000001 109.0 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -89.0 136.08 30.97 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.091 -1.006 . . . . 3.6499999999999999 109.233 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -45.72 168.05 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.013 1.809 . . . . 2.3300000000000001 112.059 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -149.7 -71.14 0.01 OUTLIER Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.517 -1.433 . . . . 3.27 109.517 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.498 1.957 0 O-C-N 121.281 -1.129 . . . . 5.1799999999999997 109.343 179.834 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 0 O4'-C1'-N19 110.712 3.639 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.637 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.474 0 O4'-C1'-N19 110.48 3.35 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.637 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.596 0 O4'-C1'-N19 110.666 3.582 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.354 0 O4'-C1'-N19 110.991 3.988 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.413 ' C8 ' ' NE2' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.537 3.293 1 O4'-C1'-N19 111.333 4.416 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.247 0 O4'-C1'-N19 110.41 3.262 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.483 ' N7 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.819 3.773 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.513 ' N7 ' ' NH2' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.426 1 O4'-C1'-N19 111.459 4.574 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.537 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.531 0 O4'-C1'-N19 110.736 3.67 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.537 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.371 0 C3'-C2'-C1' 106.989 3.064 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.512 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.851 0 O4'-C1'-N19 110.479 3.348 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.965 0 O4'-C1'-N19 110.514 3.392 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.545 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.977 0 O4'-C1'-N19 110.285 3.106 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.545 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.729 1 O4'-C1'-N19 111.329 4.412 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.458 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.447 0 C3'-C2'-C1' 106.831 2.951 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.62 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.647 3.559 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.62 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.972 1 O4'-C1'-N19 111.085 4.107 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.607 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.214 1 O4'-C1'-N19 111.407 4.508 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.426 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.348 1 O4'-C1'-N19 111.108 4.135 . . . . 0.64000000000000001 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.549 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.98 1 O4'-C1'-N19 111.019 4.023 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.549 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.238 1 O4'-C1'-N19 111.397 4.496 . . . . 0.73999999999999999 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.06 0 O4'-C1'-N19 110.555 3.443 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo . . . . . 0 N--CA 1.491 1.38 0 CA-C-O 121.185 0.41 . . . . 7.5599999999999996 111.62 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -79.85 5.57 13.36 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.244 -0.91 . . . . 7.46 108.824 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.57 -169.19 2.65 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.429 -0.794 . . . . 4.04 109.68 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -80.61 -143.97 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.365 -0.834 . . . . 4.4900000000000002 110.093 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.7 mtt-85 -81.56 104.2 11.81 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.477 -0.764 . . . . 0.79000000000000004 109.96 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.89 111.7 22.83 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.464 -0.773 . . . . 0.93000000000000005 110.676 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -93.4 10.02 33.98 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.303 -0.873 . . . . 2.1000000000000001 108.968 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.625 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 9.8 m170 -82.96 -30.32 0.48 Allowed Pre-proline 0 N--CA 1.497 1.888 0 N-CA-C 113.48 0.919 . . . . 3.25 113.48 -177.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.2 Cg_exo -52.04 145.55 33.1 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 121.941 1.761 . . . . 1.0 112.924 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.57 167.7 26.5 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.327 2.018 . . . . 1.3700000000000001 112.025 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.28 28.7 61.46 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.612 -1.395 . . . . 1.3 109.612 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 21' ' ' THR . 9.2 t -91.65 87.2 6.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.936 -1.332 . . . . 1.05 109.572 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -84.34 139.16 32.47 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.19 -0.944 . . . . 2.5899999999999999 109.643 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -86.31 116.25 65.13 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.872 . . . . 2.3199999999999998 109.732 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -86.07 139.63 6.35 Favored 'Trans proline' 0 C--N 1.316 -1.174 0 C-N-CA 122.002 1.801 . . . . 0.85999999999999999 110.877 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' HG2' HH11 ' A' ' 25' ' ' ARG . 30.1 mtt-85 -67.32 -22.92 65.59 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 121.198 -0.939 . . . . 3.7400000000000002 109.978 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.2 m -66.44 -12.5 57.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.072 -1.017 . . . . 0.87 111.025 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.539 ' CG ' HH11 ' A' ' 27' ' ' ARG . 0.1 OUTLIER -93.35 -19.31 21.46 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.498 -1.377 . . . . 1.0600000000000001 110.853 -179.513 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.3 p -111.57 -40.32 4.38 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.008 -1.057 . . . . 0.66000000000000003 109.83 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -59.79 -33.24 71.46 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.027 -1.045 . . . . 2.8199999999999998 109.195 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.2 m -59.61 -37.76 79.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.336 -0.852 . . . . 0.44 109.964 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.538 ' OE2' ' NH2' ' A' ' 47' ' ' ARG . 67.3 mm-40 -86.86 137.3 32.52 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.905 -1.122 . . . . 1.3 109.029 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -110.26 149.67 40.47 Favored Pre-proline 0 N--CA 1.502 2.163 0 N-CA-C 108.235 -1.024 . . . . 2.0699999999999998 108.235 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -38.09 154.9 0.03 OUTLIER 'Trans proline' 0 N--CA 1.486 1.072 0 C-N-CA 122.087 1.858 . . . . 0.47999999999999998 111.527 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.96 128.82 16.35 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.161 -0.962 . . . . 0.27000000000000002 110.451 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.0 m -112.24 153.26 27.38 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.483 0.659 . . . . 0.39000000000000001 109.368 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.1 t -91.82 127.39 50.12 Favored Pre-proline 0 N--CA 1.492 1.657 0 N-CA-C 108.677 -0.86 . . . . 0.41999999999999998 108.677 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.16 -5.01 15.83 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 121.42 1.414 . . . . 0.80000000000000004 112.419 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -98.09 -42.07 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.179 -0.95 . . . . 0.53000000000000003 110.384 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.527 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.4 p -132.6 21.62 4.29 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.454 -0.779 . . . . 0.46999999999999997 110.669 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 51.43 18.01 0.61 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.249 -0.907 . . . . 0.66000000000000003 111.886 178.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.527 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.7 132.87 54.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.632 -1.292 . . . . 0.38 108.045 178.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.24 109.68 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 120.832 -1.168 . . . . 0.41999999999999998 110.364 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.9 mm -110.53 125.15 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 107.991 -1.114 . . . . 0.26000000000000001 107.991 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.543 ' HG2' HH11 ' A' ' 44' ' ' ARG . 22.0 mtt-85 -67.76 -57.3 6.58 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.084 -1.01 . . . . 2.0499999999999998 111.223 -178.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.413 ' NE2' ' C8 ' ' B' ' 105' ' ' ' DA' . 93.9 mt-30 -80.06 133.87 36.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.019 -1.05 . . . . 1.22 110.377 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.5 p -63.45 -36.9 85.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.192 -0.942 . . . . 0.34999999999999998 109.372 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.538 ' NH2' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.4 -40.28 86.1 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.013 -1.054 . . . . 0.85999999999999999 109.667 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -65.68 -30.37 71.05 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.086 -1.009 . . . . 0.33000000000000002 109.229 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.23 -47.16 87.16 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.119 -0.988 . . . . 0.37 110.195 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -56.98 -40.58 76.8 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.525 -1.36 . . . . 3.2400000000000002 108.146 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.41 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 39.2 ttp180 -60.79 -39.75 90.07 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.935 -0.765 . . . . 0.45000000000000001 108.935 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -62.11 -35.17 77.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.567 -0.708 . . . . 0.33000000000000002 109.793 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.79 -46.76 88.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.14 -0.975 . . . . 0.44 109.528 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.593 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 49.2 mt-10 -72.57 -17.13 61.73 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.277 -0.889 . . . . 2.0800000000000001 111.984 -179.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.16 -47.08 7.12 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.375 -1.453 . . . . 0.5 112.923 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.495 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 21.4 mmm180 -106.37 15.09 26.52 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 120.653 -1.28 . . . . 2.21 112.516 -177.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.495 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 87.5 m-70 -150.9 -74.25 0.15 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.281 -1.512 . . . . 0.67000000000000004 111.006 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -78.88 13.19 1.81 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.248 -0.907 . . . . 0.88 108.925 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -67.76 -3.06 8.23 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.385 -0.822 . . . . 1.0700000000000001 109.1 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -90.06 153.96 47.13 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 121.328 -0.858 . . . . 3.6499999999999999 109.141 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -49.37 152.05 6.18 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.438 1.425 . . . . 2.3300000000000001 111.881 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.29 179.18 12.14 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.688 -1.365 . . . . 3.27 109.688 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 117.76 -1.114 . . . . 5.1799999999999997 108.727 179.716 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.45 HO5' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.644 0 O4'-C1'-N19 110.367 3.208 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.429 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.335 0 C3'-C2'-C1' 107.018 3.084 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.572 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.101 0 O4'-C1'-N19 110.459 3.324 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.572 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.692 1 O4'-C1'-N19 111.446 4.558 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.402 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.404 1 O4'-C1'-N19 111.42 4.525 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.245 0 C3'-C2'-C1' 107.106 3.147 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.525 H2'' " O5'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.264 1 O4'-C1'-N19 111.332 4.415 . . . . 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.525 " O5'" H2'' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.763 1 O4'-C1'-N19 111.045 4.056 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.634 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.403 0 O4'-C1'-N19 110.382 3.227 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.634 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.773 0 C3'-C2'-C1' 106.884 2.989 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.551 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.833 0 O4'-C1'-N19 110.949 3.936 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.144 0 C3'-C2'-C1' 106.979 3.056 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.526 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.54 0 O4'-C1'-N19 110.268 3.085 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.526 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.937 1 O4'-C1'-N19 111.051 4.064 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.502 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.6 0 C3'-C2'-C1' 106.913 3.009 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.502 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.964 0 O4'-C1'-N19 110.637 3.547 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.462 ' OP1' " H4'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.26 1 O4'-C1'-N19 112.108 5.386 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.075 1 O4'-C1'-N19 111.011 4.014 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.504 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 111.015 4.019 . . . . 0.64000000000000001 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.504 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.996 1 O4'-C1'-N19 111.212 4.265 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.662 0 O4'-C1'-N19 110.592 3.489 . . . . 0.73999999999999999 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.465 0 O4'-C1'-N19 110.46 3.325 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 N--CA 1.494 1.509 0 CA-C-O 121.498 0.541 . . . . 7.5599999999999996 112.398 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -149.06 -48.73 0.15 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.571 -0.706 . . . . 7.46 109.244 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.86 111.96 2.57 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.45 -0.781 . . . . 4.04 109.375 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -154.03 17.11 0.5 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.053 -1.029 . . . . 4.4900000000000002 110.114 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.417 HH22 " H1'" ' B' ' 107' ' ' ' DA' . 19.4 mtt-85 -84.56 97.63 9.69 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.774 -1.204 . . . . 0.79000000000000004 108.895 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.36 122.47 40.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.602 -0.686 . . . . 0.93000000000000005 109.206 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -94.62 4.17 54.17 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.287 -0.883 . . . . 2.1000000000000001 109.816 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.608 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 55.0 t-80 -80.02 -32.75 0.73 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.379 -0.825 . . . . 3.25 112.575 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 50.8 Cg_exo -53.66 145.23 49.63 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 121.935 1.756 . . . . 1.0 112.487 -178.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -75.92 171.54 17.96 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.451 2.101 . . . . 1.3700000000000001 113.194 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.71 24.69 66.73 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.123 -1.191 . . . . 1.3 110.123 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 21' ' ' THR . 5.0 t -88.48 91.99 9.01 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.866 -1.373 . . . . 1.05 108.89 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -78.45 148.67 33.46 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.528 -0.733 . . . . 2.5899999999999999 110.27 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -106.3 75.9 0.38 Allowed Pre-proline 0 N--CA 1.501 2.12 0 O-C-N 121.367 -0.833 . . . . 2.3199999999999998 110.247 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -61.11 143.28 98.83 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.235 1.29 . . . . 0.85999999999999999 111.494 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.492 ' HG2' HH11 ' A' ' 25' ' ' ARG . 21.5 mtt-85 -71.84 -9.83 58.89 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.455 -0.778 . . . . 3.7400000000000002 109.766 -179.299 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 m -73.02 -6.21 43.98 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.171 -0.956 . . . . 0.87 110.019 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.513 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 23.7 mmt180 -109.99 -26.68 9.6 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.327 -0.858 . . . . 1.0600000000000001 110.753 -178.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 p -106.08 -33.82 7.75 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.208 -0.933 . . . . 0.66000000000000003 109.171 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -58.98 -39.58 82.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.027 -1.046 . . . . 2.8199999999999998 108.731 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.5 m -59.02 -20.26 51.48 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.036 -1.04 . . . . 0.44 109.662 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -88.02 134.33 33.76 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.116 -0.99 . . . . 1.3 110.732 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -116.19 152.87 48.34 Favored Pre-proline 0 N--CA 1.504 2.238 0 N-CA-C 108.937 -0.764 . . . . 2.0699999999999998 108.937 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.85 150.23 23.52 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 121.757 1.638 . . . . 0.47999999999999998 111.281 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -141.04 132.43 26.76 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.576 -0.703 . . . . 0.27000000000000002 110.019 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -115.72 141.36 48.19 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.558 -0.714 . . . . 0.39000000000000001 109.719 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.9 t -77.51 129.39 77.32 Favored Pre-proline 0 N--CA 1.493 1.701 0 N-CA-C 108.616 -0.883 . . . . 0.41999999999999998 108.616 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -79.85 -6.93 14.4 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.207 1.271 . . . . 0.80000000000000004 111.908 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.7 mt -97.3 -53.38 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.453 -0.779 . . . . 0.53000000000000003 110.39 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.4 p -117.59 21.68 12.85 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.494 -0.754 . . . . 0.46999999999999997 110.864 -178.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 48.6 16.0 0.1 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.197 -0.939 . . . . 0.66000000000000003 111.689 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.565 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.18 136.63 57.3 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.593 -1.317 . . . . 0.38 107.469 178.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.13 112.91 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.022 -1.049 . . . . 0.41999999999999998 110.413 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.8 mm -108.99 129.4 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 107.712 -1.218 . . . . 0.26000000000000001 107.712 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.443 ' HG2' HH11 ' A' ' 44' ' ' ARG . 21.0 mtt-85 -74.98 -56.82 4.36 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.629 -1.294 . . . . 2.0499999999999998 110.656 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.492 ' OE1' ' NE ' ' A' ' 47' ' ' ARG . 93.5 mt-30 -80.42 136.18 36.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.611 -1.305 . . . . 1.22 110.343 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.9 p -67.89 -36.61 80.54 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.361 -0.837 . . . . 0.34999999999999998 110.052 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.492 ' NE ' ' OE1' ' A' ' 45' ' ' GLN . 21.6 ptt180 -58.48 -38.56 77.88 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.618 -1.301 . . . . 0.85999999999999999 108.944 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.49 -35.83 81.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.155 -0.966 . . . . 0.33000000000000002 108.97 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.404 HD22 ' HB1' ' A' ' 34' ' ' ALA . 44.8 tp -52.2 -45.56 65.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.062 -1.024 . . . . 0.37 109.161 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -60.12 -40.32 89.32 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.671 -1.233 . . . . 3.2400000000000002 107.671 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -64.38 -36.41 84.06 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.415 0.626 . . . . 0.45000000000000001 109.529 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -62.41 -38.75 90.89 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.481 -0.762 . . . . 0.33000000000000002 109.958 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.74 -42.08 92.39 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.024 -1.048 . . . . 0.44 109.032 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.688 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 90.7 mt-10 -73.33 -20.48 60.78 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.888 -1.132 . . . . 2.0800000000000001 111.161 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.3 mt -84.37 -60.08 2.19 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.707 -1.246 . . . . 0.5 112.835 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.4 mmm180 -105.85 27.91 8.06 Favored 'General case' 0 N--CA 1.511 2.587 0 O-C-N 120.694 -1.254 . . . . 2.21 112.522 -176.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.9 m-70 -151.97 -75.86 0.13 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.139 -1.601 . . . . 0.67000000000000004 110.93 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -75.96 5.42 6.57 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.144 -0.972 . . . . 0.88 110.046 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -70.41 -3.77 19.23 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.315 -0.866 . . . . 1.0700000000000001 109.844 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -86.35 151.09 53.15 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.118 -0.989 . . . . 3.6499999999999999 108.471 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -73.72 142.79 32.74 Favored 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 121.531 1.487 . . . . 2.3300000000000001 110.802 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.6 147.51 42.95 Favored Glycine 0 N--CA 1.484 1.841 0 N-CA-C 109.72 -1.352 . . . . 3.27 109.72 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.498 1.931 0 O-C-N 121.363 -1.081 . . . . 5.1799999999999997 109.133 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.535 HO5' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.274 0 O4'-C1'-N19 110.663 3.578 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.532 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.309 0 O4'-C1'-N19 110.398 3.247 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.532 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.34 0 O4'-C1'-N19 110.157 2.946 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.448 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.006 1 O4'-C1'-N19 111.683 4.853 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.524 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.54 3.629 0 O4'-C1'-N19 110.81 3.763 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.545 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.808 0 C3'-C2'-C1' 106.928 3.02 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.545 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.261 0 O4'-C1'-N19 110.827 3.783 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.47 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.887 0 O4'-C1'-N19 110.639 3.548 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.579 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.687 0 O4'-C1'-N19 110.653 3.566 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.579 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.835 0 C3'-C2'-C1' 107.411 3.365 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.841 0 O4'-C1'-N19 110.969 3.961 . . . . 0.95999999999999996 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.898 1 O4'-C1'-N19 111.064 4.08 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.419 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.021 0 C3'-C2'-C1' 106.939 3.028 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.419 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C1'-N19 110.625 3.531 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.424 ' OP2' ' OE2' ' A' ' 31' ' ' GLU . . . . . . . . 1 C5'--C4' 1.544 4.109 0 O4'-C1'-N19 110.053 2.816 . . . . 0.53000000000000003 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.536 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.549 0 C3'-C2'-C1' 107.098 3.142 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.536 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.499 1 O4'-C1'-N19 111.185 4.231 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.452 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.251 1 O4'-C1'-N19 111.811 5.014 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.106 0 O4'-C1'-N19 110.204 3.004 . . . . 0.64000000000000001 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.513 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.138 1 O4'-C1'-N19 111.249 4.311 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.513 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.542 3.886 1 O4'-C1'-N19 111.279 4.349 . . . . 0.73999999999999999 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.814 0 O4'-C1'-N19 110.379 3.224 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo . . . . . 0 N--CA 1.49 1.273 0 CA-C-O 121.115 0.381 . . . . 7.5599999999999996 111.942 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -88.46 -72.78 0.52 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.603 -0.686 . . . . 7.46 109.941 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.93 12.33 0.15 Allowed 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.654 -0.869 . . . . 4.04 108.654 -179.607 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -80.5 161.55 24.79 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.641 -0.662 . . . . 4.4900000000000002 109.439 -179.536 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.471 ' NH1' ' N3 ' ' B' ' 107' ' ' ' DA' . 18.4 mtt-85 -83.53 103.51 12.93 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.217 -0.927 . . . . 0.79000000000000004 110.514 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.32 124.6 43.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.294 -0.879 . . . . 0.93000000000000005 109.586 178.745 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -93.85 5.41 51.74 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.427 -0.795 . . . . 2.1000000000000001 110.01 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.606 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 28.6 t-80 -78.85 -31.42 0.73 Allowed Pre-proline 0 C--N 1.3 -1.572 0 O-C-N 120.891 -1.131 . . . . 3.25 112.466 -178.272 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 71.7 Cg_exo -49.75 147.8 13.27 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 121.779 1.653 . . . . 1.0 111.458 -178.471 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.18 171.09 18.69 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.982 1.788 . . . . 1.3700000000000001 112.333 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.62 24.99 61.53 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 110.609 -0.996 . . . . 1.3 110.609 179.379 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.455 ' H ' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER -89.96 88.61 7.38 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.751 -1.441 . . . . 1.05 109.479 -179.711 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -77.76 150.39 34.37 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 121.148 -0.97 . . . . 2.5899999999999999 109.367 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -107.12 69.5 0.25 Allowed Pre-proline 0 N--CA 1.503 2.213 0 O-C-N 121.259 -0.9 . . . . 2.3199999999999998 110.692 179.19 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -65.13 141.77 71.11 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 121.289 1.326 . . . . 0.85999999999999999 110.696 178.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -71.77 -3.88 24.56 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.134 -0.979 . . . . 3.7400000000000002 109.861 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 m -70.16 -4.93 23.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.428 -0.795 . . . . 0.87 110.491 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.401 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 16.8 mmt180 -103.3 -26.63 12.87 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.873 -1.142 . . . . 1.0600000000000001 109.678 -179.09 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.3 p -101.87 -36.81 8.52 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.203 -0.935 . . . . 0.66000000000000003 110.022 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -60.87 -31.6 71.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.447 -0.783 . . . . 2.8199999999999998 110.086 -179.018 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.2 m -58.79 -32.97 69.81 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.319 -0.863 . . . . 0.44 108.845 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' OE2' ' OP2' ' C' ' 115' ' ' ' DC' . 76.7 mm-40 -89.72 151.57 21.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.176 -0.953 . . . . 1.3 110.595 -179.371 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.461 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 28.1 mp0 -118.04 156.06 50.67 Favored Pre-proline 0 N--CA 1.497 1.878 0 N-CA-C 108.022 -1.103 . . . . 2.0699999999999998 108.022 178.593 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -47.46 157.45 0.81 Allowed 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.527 1.485 . . . . 0.47999999999999998 111.635 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.25 136.16 26.15 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.987 -1.071 . . . . 0.27000000000000002 110.498 -179.435 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.7 m -117.77 146.94 43.45 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 108.719 -0.845 . . . . 0.39000000000000001 108.719 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -86.21 129.22 54.54 Favored Pre-proline 0 C--N 1.296 -1.721 0 O-C-N 121.382 -0.824 . . . . 0.41999999999999998 109.145 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.08 -2.55 12.64 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 120.938 1.092 . . . . 0.80000000000000004 112.488 -179.479 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.2 mt -99.75 -56.21 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.241 -0.912 . . . . 0.53000000000000003 110.386 -179.545 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.1 p -114.7 14.54 17.55 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.602 -0.686 . . . . 0.46999999999999997 110.243 -179.062 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 55.5 18.19 2.57 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.173 -0.954 . . . . 0.66000000000000003 110.936 179.284 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.638 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.39 141.02 43.66 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.634 -1.247 . . . . 0.38 107.634 178.376 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.7 t -96.79 112.78 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.68 -1.263 . . . . 0.41999999999999998 110.125 -178.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.1 mm -110.23 130.45 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 N-CA-C 108.17 -1.048 . . . . 0.26000000000000001 108.17 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -75.83 -63.4 1.31 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.67 -1.269 . . . . 2.0499999999999998 109.782 -178.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.524 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 98.4 mt-30 -77.86 133.05 38.22 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.33 -0.856 . . . . 1.22 111.042 -179.704 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.8 p -62.18 -35.81 79.96 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.551 -0.718 . . . . 0.34999999999999998 111.377 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.3 ptp180 -58.22 -39.61 79.51 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.546 -1.346 . . . . 0.85999999999999999 108.746 -179.376 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.404 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 88.4 m-20 -67.76 -30.09 69.46 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.499 -0.75 . . . . 0.33000000000000002 109.57 179.476 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.81 -44.75 86.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.048 -1.033 . . . . 0.37 109.15 -179.48 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -61.7 -39.18 90.58 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.752 -1.218 . . . . 3.2400000000000002 108.403 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -65.53 -36.33 83.5 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.693 0.759 . . . . 0.45000000000000001 109.466 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -63.32 -32.6 74.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.352 -0.843 . . . . 0.33000000000000002 110.14 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 58' ' ' PHE . 90.0 mt -65.72 -40.81 92.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.542 -1.349 . . . . 0.44 109.371 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 49.2 mt-10 -72.13 -27.85 62.88 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.419 -0.8 . . . . 2.0800000000000001 111.192 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.0 mt -91.05 -21.28 21.32 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.647 -1.283 . . . . 0.5 113.297 -177.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.536 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 24.6 mmm180 -127.01 -0.95 6.54 Favored 'General case' 0 N--CA 1.513 2.712 0 O-C-N 120.663 -1.273 . . . . 2.21 112.246 -178.15 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 53.0 m-70 -146.69 -63.33 0.3 Allowed 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.036 -1.665 . . . . 0.67000000000000004 110.237 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 53' ' ' LEU . 29.1 m-85 -78.37 17.15 0.68 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.185 -0.947 . . . . 0.88 108.642 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -70.61 -3.72 19.68 Favored 'General case' 0 C--N 1.297 -1.71 0 C-N-CA 119.827 -0.749 . . . . 1.0700000000000001 109.353 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -90.69 150.09 41.74 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.269 -0.894 . . . . 3.6499999999999999 109.503 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.54 161.15 39.64 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 121.894 1.729 . . . . 2.3300000000000001 112.254 179.617 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.51 -173.63 17.93 Favored Glycine 0 N--CA 1.488 2.112 0 N-CA-C 110.092 -1.203 . . . . 3.27 110.092 -179.432 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 N--CA 1.502 2.125 0 CA-C-O 117.931 -1.033 . . . . 5.1799999999999997 109.862 -179.929 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 0 O4'-C1'-N19 110.903 3.878 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.468 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.744 0 O4'-C1'-N19 110.917 3.896 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.468 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.363 0 O4'-C1'-N19 110.682 3.602 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.446 ' C2 ' ' C2 ' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.862 0 O4'-C1'-N19 110.897 3.872 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.446 ' C2 ' ' C2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 P--O5' 1.608 1.534 1 O4'-C1'-N19 111.3 4.375 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.432 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.297 0 C3'-C2'-C1' 107.206 3.219 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.541 ' N3 ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.25 1 O4'-C1'-N19 111.42 4.525 . . . . 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.507 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.781 0 O4'-C1'-N19 110.599 3.499 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.518 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.094 0 C3'-C2'-C1' 106.876 2.983 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.518 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.85 0 C3'-C2'-C1' 106.999 3.071 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.445 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.368 0 O4'-C1'-N19 110.577 3.471 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . 0.467 " H2'" ' H72' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.891 3.864 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.614 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.741 0 C3'-C2'-C1' 107.023 3.088 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.614 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.832 1 O4'-C1'-N19 111.043 4.054 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.465 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.856 0 C3'-C2'-C1' 106.806 2.933 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.506 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O4'-C1'-N19 110.426 3.282 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.506 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.735 1 O4'-C1'-N19 111.144 4.18 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.434 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.939 1 O4'-C1'-N19 111.158 4.198 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.418 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.506 1 O4'-C1'-N19 111.003 4.004 . . . . 0.64000000000000001 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.418 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.406 1 O4'-C1'-N19 111.472 4.59 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.41 ' C5 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.544 4.112 0 O4'-C1'-N19 110.889 3.861 . . . . 0.73999999999999999 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.866 0 O4'-C1'-N19 110.546 3.432 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo . . . . . 0 N--CA 1.493 1.457 0 CA-C-O 121.541 0.559 . . . . 7.5599999999999996 112.038 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -82.63 132.11 35.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.456 -0.777 . . . . 7.46 109.177 179.27 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.52 115.58 2.83 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.418 -0.801 . . . . 4.04 109.343 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.483 ' H ' ' CD ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -83.41 130.65 35.05 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.967 -1.083 . . . . 4.4900000000000002 108.522 179.189 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.541 ' NH2' ' N3 ' ' B' ' 107' ' ' ' DA' . 54.2 mtp180 -87.45 93.62 9.46 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.379 -0.971 . . . . 0.79000000000000004 108.379 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.62 133.68 34.94 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.462 -0.774 . . . . 0.93000000000000005 110.216 -179.287 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -89.0 16.18 7.44 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.978 -0.749 . . . . 2.1000000000000001 108.978 178.639 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 13.7 t60 -80.8 -31.43 0.61 Allowed Pre-proline 0 N--CA 1.495 1.804 0 O-C-N 121.226 -0.921 . . . . 3.25 112.383 -178.375 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 82.0 Cg_exo -51.24 141.69 38.63 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 121.963 1.775 . . . . 1.0 111.964 -178.85 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.5 174.86 12.15 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.256 1.971 . . . . 1.3700000000000001 111.423 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.57 25.38 63.15 Favored Glycine 0 N--CA 1.491 2.347 0 C-N-CA 119.909 -1.139 . . . . 1.3 110.533 179.034 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.34 93.12 8.9 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.25 -1.147 . . . . 1.05 108.568 179.135 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.98 154.59 39.24 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.533 -0.914 . . . . 2.5899999999999999 108.533 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -105.93 71.86 0.25 Allowed Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 121.405 -0.809 . . . . 2.3199999999999998 110.349 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -69.6 136.46 33.48 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.694 1.596 . . . . 0.85999999999999999 110.372 179.238 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.562 ' HG2' HH11 ' A' ' 25' ' ' ARG . 18.0 mtt-85 -73.84 -6.16 45.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.096 -1.003 . . . . 3.7400000000000002 110.619 -179.146 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -73.95 -7.64 53.11 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.334 -0.854 . . . . 0.87 111.412 -179.031 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.507 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 27.6 mmt180 -98.89 -26.94 14.12 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.865 -1.147 . . . . 1.0600000000000001 109.432 -179.377 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 p -105.27 -44.19 4.81 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.281 -0.887 . . . . 0.66000000000000003 109.511 179.406 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -57.12 -34.2 68.13 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.39 -0.819 . . . . 2.8199999999999998 109.891 -178.757 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.5 m -55.33 -29.99 59.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.916 -1.115 . . . . 0.44 109.606 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.539 ' CG ' HH21 ' A' ' 47' ' ' ARG . 72.8 mm-40 -93.73 143.77 26.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.901 -1.124 . . . . 1.3 110.604 -179.179 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -115.95 150.49 45.12 Favored Pre-proline 0 N--CA 1.501 2.08 0 N-CA-C 108.843 -0.799 . . . . 2.0699999999999998 108.843 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -37.23 157.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.445 2.096 . . . . 0.47999999999999998 112.4 -179.416 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.88 134.63 16.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.214 -0.929 . . . . 0.27000000000000002 110.964 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 36' ' ' CYS . 98.5 m -115.71 162.06 17.81 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.415 -0.803 . . . . 0.39000000000000001 110.089 179.222 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.583 ' N ' HG22 ' A' ' 35' ' ' THR . 7.8 t -105.22 102.9 39.35 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.547 -0.72 . . . . 0.41999999999999998 109.643 179.583 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -55.66 -2.94 0.34 Allowed 'Trans proline' 0 N--CA 1.504 2.136 0 C-N-CA 122.194 1.93 . . . . 0.80000000000000004 113.737 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 89.4 mt -98.01 -55.13 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.834 -1.166 . . . . 0.53000000000000003 110.278 -179.448 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.9 p -115.92 6.48 14.22 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.472 -0.768 . . . . 0.46999999999999997 109.506 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 61.78 22.99 13.42 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 122.069 -0.394 . . . . 0.66000000000000003 111.81 178.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.57 135.62 57.81 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.929 -1.137 . . . . 0.38 107.929 177.786 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.3 109.67 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.079 -1.013 . . . . 0.41999999999999998 109.613 -179.443 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mm -110.88 129.35 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 107.881 -1.155 . . . . 0.26000000000000001 107.881 178.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.533 ' HG2' HH11 ' A' ' 44' ' ' ARG . 25.3 mtt-85 -73.13 -61.8 1.69 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.944 -1.097 . . . . 2.0499999999999998 110.35 -178.78 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -76.34 135.65 39.54 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.647 -1.283 . . . . 1.22 110.181 -179.513 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.7 p -67.23 -36.78 82.38 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.605 -0.685 . . . . 0.34999999999999998 110.587 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.539 HH21 ' CG ' ' A' ' 31' ' ' GLU . 11.9 ptp180 -58.2 -37.65 75.22 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.094 -1.004 . . . . 0.85999999999999999 108.938 -179.17 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.25 -32.28 71.38 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.374 -0.829 . . . . 0.33000000000000002 110.215 179.531 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.0 tp -56.81 -46.37 81.65 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.767 -1.208 . . . . 0.37 109.185 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -56.84 -40.02 75.32 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 107.857 -1.164 . . . . 3.2400000000000002 107.857 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -63.74 -40.4 96.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.373 -0.829 . . . . 0.45000000000000001 108.907 178.635 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -59.47 -38.53 81.02 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.546 -0.721 . . . . 0.33000000000000002 109.102 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 58' ' ' PHE . 88.8 mt -57.6 -40.54 79.33 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.941 -1.099 . . . . 0.44 108.834 179.432 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.623 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 76.5 mm-40 -72.17 -19.74 61.71 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.314 -0.866 . . . . 2.0800000000000001 110.792 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.7 mt -83.88 -57.69 3.1 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.752 -1.218 . . . . 0.5 112.604 -178.11 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.593 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 22.7 mmm180 -105.81 9.64 32.85 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.827 -1.171 . . . . 2.21 112.638 -176.623 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 31.0 m-70 -143.72 -70.6 0.31 Allowed 'General case' 0 N--CA 1.511 2.613 0 O-C-N 120.571 -1.331 . . . . 0.67000000000000004 110.675 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 53' ' ' LEU . 31.6 m-85 -80.74 22.42 0.6 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.175 -0.953 . . . . 0.88 109.543 -179.458 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -74.26 14.28 0.46 Allowed 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.481 -0.762 . . . . 1.0700000000000001 110.213 -179.782 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -85.9 144.82 39.88 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.108 -0.995 . . . . 3.6499999999999999 109.258 -179.743 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -47.16 168.45 0.06 OUTLIER 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 121.53 1.487 . . . . 2.3300000000000001 111.727 178.796 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -122.93 140.04 12.85 Favored Glycine 0 N--CA 1.498 2.816 0 N-CA-C 109.561 -1.415 . . . . 3.27 109.561 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 N--CA 1.505 2.318 0 CA-C-O 117.694 -1.146 . . . . 5.1799999999999997 109.916 -179.972 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.403 HO5' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C1'-N19 110.295 3.119 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.434 3.292 . . . . 0.77000000000000002 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.42 ' C5 ' ' NH2' ' A' ' 51' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.488 0 O4'-C1'-N19 110.707 3.633 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.997 0 O4'-C1'-N19 110.686 3.607 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.898 1 O4'-C1'-N19 111.09 4.112 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.548 0 C3'-C2'-C1' 106.948 3.034 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 0 C3'-C2'-C1' 106.827 2.948 . . . . 0.69999999999999996 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.401 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.726 1 O4'-C1'-N19 111.07 4.088 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.708 0 O4'-C1'-N19 110.832 3.79 . . . . 0.87 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.549 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.774 0 O4'-C1'-N19 110.783 3.729 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.549 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.718 3.647 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 1 O4'-C1'-N19 111.337 4.421 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.501 ' H71' ' OP2' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.604 0 C3'-C2'-C1' 106.981 3.058 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.404 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.2 0 O4'-C1'-N19 110.829 3.787 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.741 0 C3'-C2'-C1' 106.709 2.863 . . . . 0.53000000000000003 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.99 3.988 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.512 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 111.019 4.023 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.512 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.308 1 O4'-C1'-N19 111.79 4.987 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.563 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.049 4.062 . . . . 0.64000000000000001 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.563 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.827 1 O4'-C1'-N19 111.253 4.316 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.511 0 O4'-C1'-N19 110.478 3.347 . . . . 0.73999999999999999 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 0 O4'-C1'-N19 110.345 3.181 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo . . . . . 0 N--CA 1.498 1.756 0 CA-C-O 121.432 0.513 . . . . 7.5599999999999996 111.723 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -79.5 145.8 33.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.571 -0.706 . . . . 7.46 109.62 179.585 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.9 -5.62 0.07 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.315 -0.866 . . . . 4.04 109.461 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -82.4 178.19 8.36 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.144 -0.973 . . . . 4.4900000000000002 108.947 179.602 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -80.99 97.8 7.64 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.323 -0.861 . . . . 0.79000000000000004 108.839 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.0 136.82 32.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.508 -0.745 . . . . 0.93000000000000005 110.341 -179.46 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -90.51 9.34 29.76 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.758 -0.83 . . . . 2.1000000000000001 108.758 179.106 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.61 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.5 t60 -81.22 -30.2 0.54 Allowed Pre-proline 0 N--CA 1.501 2.096 0 N-CA-C 113.484 0.92 . . . . 3.25 113.484 -177.519 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 56.8 Cg_exo -53.32 144.51 49.03 Favored 'Trans proline' 0 N--CA 1.501 1.942 0 C-N-CA 122.444 2.096 . . . . 1.0 113.056 -178.397 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.76 175.43 10.31 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.502 2.135 . . . . 1.3700000000000001 112.059 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.2 27.04 64.78 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.081 -1.207 . . . . 1.3 110.081 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -90.56 96.18 10.52 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.96 -1.318 . . . . 1.05 108.85 179.865 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -72.46 152.0 42.21 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.226 -0.921 . . . . 2.5899999999999999 109.26 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HA ' ' HZ3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -106.1 76.41 0.38 Allowed Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 121.488 -0.757 . . . . 2.3199999999999998 111.524 -178.459 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.76 132.98 17.88 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 121.143 1.229 . . . . 0.85999999999999999 111.084 178.725 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.481 ' HG2' HH11 ' A' ' 25' ' ' ARG . 5.2 mmt-85 -76.49 -6.61 52.52 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.328 -0.857 . . . . 3.7400000000000002 109.637 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.4 m -72.73 -7.51 50.9 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.136 -0.978 . . . . 0.87 109.905 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' A' ' 27' ' ' ARG . 7.6 mmt-85 -95.93 -29.18 14.31 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.123 -0.985 . . . . 1.0600000000000001 110.608 -179.259 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 p -107.2 -43.63 4.55 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.291 -0.881 . . . . 0.66000000000000003 109.775 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.95 -39.82 86.88 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.098 -1.001 . . . . 2.8199999999999998 109.243 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -56.59 -27.58 58.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.475 -0.765 . . . . 0.44 110.016 -179.609 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -89.31 146.99 24.34 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.054 -1.029 . . . . 1.3 109.52 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -121.61 151.92 57.72 Favored Pre-proline 0 N--CA 1.507 2.398 0 O-C-N 121.257 -0.902 . . . . 2.0699999999999998 109.4 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -43.91 153.42 0.29 Allowed 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.969 1.779 . . . . 0.47999999999999998 112.584 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -142.48 134.28 26.95 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.279 -0.888 . . . . 0.27000000000000002 110.271 179.779 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.9 m -115.55 142.33 46.86 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.677 0.751 . . . . 0.39000000000000001 109.605 179.373 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.5 t -79.69 132.82 60.26 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.403 -0.962 . . . . 0.41999999999999998 108.403 179.124 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.81 -8.34 15.68 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 121.537 1.492 . . . . 0.80000000000000004 111.953 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -96.63 -56.17 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.292 -0.88 . . . . 0.53000000000000003 110.995 -178.845 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.489 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.6 p -115.97 19.19 15.21 Favored 'General case' 0 N--CA 1.508 2.472 0 O-C-N 121.248 -0.907 . . . . 0.46999999999999997 111.274 -178.624 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 53.4 20.2 1.9 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.955 -1.09 . . . . 0.66000000000000003 111.453 178.549 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.489 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.5 141.2 55.32 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 106.66 -1.607 . . . . 0.38 106.66 177.873 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.3 t -97.42 115.87 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 120.837 -1.164 . . . . 0.41999999999999998 109.756 -179.336 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.537 ' O ' ' N ' ' A' ' 34' ' ' ALA . 38.8 mm -110.84 130.75 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 108.163 -1.051 . . . . 0.26000000000000001 108.163 179.033 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -75.78 -64.3 1.11 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.664 -1.273 . . . . 2.0499999999999998 110.662 -178.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -79.71 138.52 37.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.022 -1.049 . . . . 1.22 109.962 -179.514 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.5 p -63.01 -38.93 93.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.172 -0.955 . . . . 0.34999999999999998 109.895 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 12.2 ptp180 -51.39 -41.82 60.97 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.812 -1.18 . . . . 0.85999999999999999 109.525 -179.462 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.445 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 93.3 m-20 -67.29 -27.67 67.37 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.435 -0.791 . . . . 0.33000000000000002 110.022 179.586 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.22 -46.58 88.08 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.994 -1.066 . . . . 0.37 108.985 -179.104 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -59.95 -40.0 87.51 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 119.097 -1.041 . . . . 3.2400000000000002 108.809 179.685 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 45.0 ttp180 -65.91 -31.4 72.3 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.549 -0.861 . . . . 0.45000000000000001 109.779 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -65.86 -40.77 91.98 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.313 -0.867 . . . . 0.33000000000000002 109.704 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.09 -39.21 85.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.246 -0.909 . . . . 0.44 109.281 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.821 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 94.3 mt-10 -71.36 -28.71 64.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.511 -0.743 . . . . 2.0800000000000001 112.119 -178.919 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -91.69 -43.98 9.28 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.712 -1.242 . . . . 0.5 112.812 -177.671 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 20.6 mmm-85 -106.0 17.5 23.51 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 120.835 -1.165 . . . . 2.21 113.037 -177.118 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.0 m-70 -154.6 -68.54 0.13 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.138 -1.601 . . . . 0.67000000000000004 110.413 179.131 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -80.47 4.76 17.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.137 -0.977 . . . . 0.88 110.179 -179.127 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.821 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -68.7 -16.52 63.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.087 -1.008 . . . . 1.0700000000000001 108.671 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -88.47 148.93 43.4 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.378 -0.826 . . . . 3.6499999999999999 109.054 179.819 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.67 153.82 28.3 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.346 2.031 . . . . 2.3300000000000001 112.071 -179.505 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.68 -32.05 38.97 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.738 -1.345 . . . . 3.27 109.738 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.021 -1.282 . . . . 5.1799999999999997 109.187 179.596 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.488 3.359 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.485 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.525 0 C3'-C2'-C1' 106.96 3.043 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.545 ' C6 ' ' NH2' ' A' ' 51' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.103 0 O4'-C1'-N19 110.241 3.051 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.425 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.44 1.538 1 O4'-C1'-N19 111.216 4.27 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.425 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.709 1 O4'-C1'-N19 111.022 4.027 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.731 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.464 0 O4'-C1'-N19 110.771 3.714 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.731 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.838 0 O4'-C1'-N19 110.676 3.595 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.453 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.405 3.256 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 0 O4'-C1'-N19 110.642 3.553 . . . . 0.87 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.559 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.402 0 O4'-C1'-N19 110.445 3.306 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.559 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.306 0 O4'-C1'-N19 110.934 3.918 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.876 0 O4'-C1'-N19 110.738 3.673 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.527 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.64 3.55 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.527 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.98 1 O4'-C1'-N19 111.289 4.362 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.245 0 O4'-C1'-N19 110.636 3.544 . . . . 0.53000000000000003 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.649 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.937 0 O4'-C1'-N19 110.56 3.45 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.649 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.444 1 O4'-C1'-N19 111.474 4.593 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.518 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 P--O5' 1.612 1.876 1 O4'-C1'-N19 111.809 5.012 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.418 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.677 0 O4'-C1'-N19 110.598 3.497 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.404 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.075 1 O4'-C1'-N19 111.002 4.003 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.401 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.104 0 C3'-C2'-C1' 107.099 3.142 . . . . 0.73999999999999999 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . 0.401 " O5'" H2'' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.613 0 C3'-C2'-C1' 106.973 3.052 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 N--CA 1.5 1.875 0 CA-C-O 121.105 0.377 . . . . 7.5599999999999996 112.739 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -77.81 132.59 38.11 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.011 -1.055 . . . . 7.46 109.778 -179.098 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.66 149.83 49.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.369 -0.832 . . . . 4.04 110.104 -179.74 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -154.92 112.53 3.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.237 -0.915 . . . . 4.4900000000000002 109.473 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -88.91 105.06 17.51 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.05 -1.031 . . . . 0.79000000000000004 111.131 -179.656 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.59 132.31 36.97 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.308 -0.87 . . . . 0.93000000000000005 109.135 178.666 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -90.85 8.09 36.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.287 -0.883 . . . . 2.1000000000000001 109.777 179.57 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.612 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 23.7 m80 -82.64 -28.76 0.45 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.277 -0.889 . . . . 3.25 113.351 -177.717 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.3 Cg_exo -50.88 144.87 25.81 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.643 1.562 . . . . 1.0 112.583 -177.435 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.65 171.68 17.29 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.719 2.279 . . . . 1.3700000000000001 112.124 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.65 28.73 54.45 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.935 -1.266 . . . . 1.3 109.935 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.736 HG23 ' O ' ' A' ' 21' ' ' THR . 13.1 t -94.01 94.9 8.7 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.301 -1.117 . . . . 1.05 108.913 179.023 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -81.39 141.7 33.7 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.228 -1.027 . . . . 2.5899999999999999 108.228 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.58 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -106.38 76.04 0.39 Allowed Pre-proline 0 N--CA 1.496 1.825 0 O-C-N 121.433 -0.792 . . . . 2.3199999999999998 111.741 -178.653 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -69.62 149.08 67.31 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.047 1.832 . . . . 0.85999999999999999 109.295 177.406 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' NH1' ' HG2' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -74.31 -7.74 53.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.833 -1.167 . . . . 3.7400000000000002 109.953 -179.132 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -72.87 -0.94 14.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.222 -0.924 . . . . 0.87 111.633 -178.438 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.453 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 27.6 mmt180 -99.02 -28.49 13.38 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.701 -1.249 . . . . 1.0600000000000001 111.097 -179.328 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -112.77 -37.56 4.83 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.163 -0.961 . . . . 0.66000000000000003 109.856 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -59.83 -39.82 86.4 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.327 -0.858 . . . . 2.8199999999999998 110.2 -178.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -56.12 -30.09 61.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.51 -0.744 . . . . 0.44 110.842 -179.362 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.534 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 78.1 mm-40 -83.11 141.91 31.64 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.082 -1.011 . . . . 1.3 110.004 -179.614 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -118.35 149.5 46.04 Favored Pre-proline 0 N--CA 1.506 2.35 0 O-C-N 121.701 -0.624 . . . . 2.0699999999999998 109.971 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -39.72 153.93 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.974 1.783 . . . . 0.47999999999999998 113.088 178.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.62 137.09 21.27 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.29 -0.882 . . . . 0.27000000000000002 110.277 179.003 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.4 m -117.22 147.94 42.06 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.418 -0.801 . . . . 0.39000000000000001 109.923 179.278 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.1 t -83.79 125.5 73.08 Favored Pre-proline 0 N--CA 1.496 1.866 0 O-C-N 121.316 -0.865 . . . . 0.41999999999999998 108.686 179.321 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -78.95 4.72 6.26 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.242 1.295 . . . . 0.80000000000000004 111.774 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mt -106.39 -50.67 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.468 -0.77 . . . . 0.53000000000000003 110.729 -178.779 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.8 p -122.31 15.5 10.53 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.27 -0.894 . . . . 0.46999999999999997 109.532 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 55.62 17.07 2.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.703 -0.623 . . . . 0.66000000000000003 111.333 179.324 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.611 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.19 139.49 52.44 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.407 -1.331 . . . . 0.38 107.407 177.726 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.12 117.0 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 120.803 -1.185 . . . . 0.41999999999999998 109.971 -179.342 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.3 mm -113.91 131.35 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 N-CA-C 107.457 -1.312 . . . . 0.26000000000000001 107.457 178.72 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -75.0 -60.03 2.47 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.695 -1.253 . . . . 2.0499999999999998 110.309 -179.027 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -78.96 133.61 36.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.989 -1.07 . . . . 1.22 111.188 -178.658 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -62.96 -35.76 81.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.451 -0.781 . . . . 0.34999999999999998 109.647 179.212 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.534 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.71 -38.91 82.94 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.711 -1.243 . . . . 0.85999999999999999 108.553 179.713 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -71.22 -22.22 62.03 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.836 -1.165 . . . . 0.33000000000000002 109.823 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.34 -46.39 90.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.948 -1.095 . . . . 0.37 108.566 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.21 -39.96 92.19 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.095 -1.003 . . . . 3.2400000000000002 108.752 179.344 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.545 ' NH2' ' C6 ' ' B' ' 103' ' ' ' DC' . 43.8 ttp180 -59.99 -40.13 88.12 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.499 -0.926 . . . . 0.45000000000000001 108.499 178.87 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -61.18 -39.3 89.66 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.441 -0.787 . . . . 0.33000000000000002 109.434 179.323 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 58' ' ' PHE . 88.7 mt -60.01 -38.7 83.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.003 -1.061 . . . . 0.44 110.235 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.682 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -75.81 -27.95 58.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.926 -1.109 . . . . 2.0800000000000001 111.49 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.7 mt -88.48 -42.51 12.07 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.263 -1.523 . . . . 0.5 112.088 -177.413 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.433 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 18.2 mmm180 -108.83 14.26 24.37 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.828 -1.17 . . . . 2.21 112.986 -177.345 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.433 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.3 m-70 -152.7 -71.82 0.15 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 119.968 -1.707 . . . . 0.67000000000000004 110.758 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 53' ' ' LEU . 64.4 m-85 -80.7 17.54 1.13 Allowed 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.418 -0.801 . . . . 0.88 109.282 -179.438 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -70.84 -3.85 21.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.486 -0.759 . . . . 1.0700000000000001 109.231 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -90.26 155.5 46.67 Favored Pre-proline 0 N--CA 1.496 1.845 0 O-C-N 121.085 -1.009 . . . . 3.6499999999999999 108.696 179.306 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -46.77 148.74 3.57 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 121.397 1.398 . . . . 2.3300000000000001 112.626 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.27 29.38 0.19 Allowed Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.206 -1.558 . . . . 3.27 109.206 179.306 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.501 2.096 0 O-C-N 121.199 -1.177 . . . . 5.1799999999999997 109.226 -180.0 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 0 C3'-C2'-C1' 106.894 2.996 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.701 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.583 1 O4'-C1'-N19 111.046 4.057 . . . . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.701 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.26 0 O4'-C1'-N19 110.204 3.005 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.458 H2'' " O4'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.761 0 O4'-C1'-N19 110.392 3.24 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.473 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.546 4.435 0 O4'-C1'-N19 110.935 3.919 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.473 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.897 0 C3'-C2'-C1' 107.068 3.12 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.465 ' C6 ' ' O6 ' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.933 1 O4'-C1'-N19 111.29 4.363 . . . . 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.465 ' O6 ' ' C6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.601 0 O4'-C1'-N19 110.749 3.686 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.584 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.217 0 O4'-C1'-N19 110.322 3.152 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.584 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.932 0 O4'-C1'-N19 110.586 3.482 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.464 0 O4'-C1'-N19 110.995 3.993 . . . . 0.95999999999999996 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . 0.425 HO5' ' H8 ' ' C' ' 112' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.744 3.68 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.491 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.967 0 O4'-C1'-N19 110.367 3.208 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.491 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.163 0 O4'-C1'-N19 110.953 3.941 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.456 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.275 0 C3'-C2'-C1' 107.159 3.185 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.456 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 C3'-C2'-C1' 106.84 2.957 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.578 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.402 1 O4'-C1'-N19 111.328 4.41 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.578 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.098 1 O4'-C1'-N19 111.907 5.134 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.363 0 O4'-C1'-N19 110.73 3.663 . . . . 0.64000000000000001 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.46 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.624 1 O4'-C1'-N19 111.697 4.871 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.46 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.307 0 O4'-C1'-N19 110.371 3.214 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.979 0 C3'-C2'-C1' 106.922 3.016 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.494 1.526 0 CA-C-O 121.048 0.353 . . . . 7.5599999999999996 112.219 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -83.24 137.1 34.16 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.002 -1.061 . . . . 7.46 109.858 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.15 4.67 8.13 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.231 -0.918 . . . . 4.04 110.328 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -80.57 141.9 34.61 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.074 -1.016 . . . . 4.4900000000000002 110.073 -179.4 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -87.19 108.05 18.74 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.288 -0.883 . . . . 0.79000000000000004 109.163 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.46 132.56 40.42 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.164 -0.96 . . . . 0.93000000000000005 110.642 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -86.5 14.68 6.4 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.453 -0.78 . . . . 2.1000000000000001 110.438 179.515 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.616 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 16.3 m-70 -81.97 -25.59 0.4 Allowed Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 120.985 -1.072 . . . . 3.25 113.557 -177.848 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 88.1 Cg_exo -50.56 136.98 41.28 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.291 1.327 . . . . 1.0 111.968 -179.041 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -79.37 178.23 7.66 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 123.258 2.639 . . . . 1.3700000000000001 111.947 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.43 30.0 63.1 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 120.029 -1.081 . . . . 1.3 110.47 179.002 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.38 93.69 9.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -1.182 . . . . 1.05 109.886 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mp0 -77.77 158.33 29.62 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.097 -1.002 . . . . 2.5899999999999999 108.628 178.917 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -108.68 65.47 0.29 Allowed Pre-proline 0 N--CA 1.502 2.131 0 O-C-N 121.304 -0.873 . . . . 2.3199999999999998 112.145 -179.122 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -45.3 132.37 11.96 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.076 1.184 . . . . 0.85999999999999999 111.782 179.361 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -63.45 -33.81 76.37 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.451 -0.781 . . . . 3.7400000000000002 110.931 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.6 m -71.56 -1.98 15.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.038 -1.039 . . . . 0.87 111.819 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -97.94 -26.43 14.65 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.654 -1.278 . . . . 1.0600000000000001 110.998 -179.073 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 p -109.71 -35.98 6.05 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.239 -1.023 . . . . 0.66000000000000003 108.239 179.032 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -60.37 -38.42 83.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.297 -0.877 . . . . 2.8199999999999998 109.297 179.104 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.0 m -50.87 -23.54 2.89 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.291 -0.881 . . . . 0.44 109.638 -179.208 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -82.51 149.83 27.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.889 -1.132 . . . . 1.3 109.748 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.437 ' O ' ' O ' ' A' ' 44' ' ' ARG . 22.9 mm100 -121.31 151.89 56.7 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 121.501 -0.749 . . . . 2.0699999999999998 109.031 179.886 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.29 151.7 42.8 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.985 1.79 . . . . 0.47999999999999998 111.06 178.86 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.68 139.67 25.39 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.092 -1.005 . . . . 0.27000000000000002 111.391 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.501 HG22 ' N ' ' A' ' 36' ' ' CYS . 68.3 m -116.22 160.69 20.07 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 109.071 -0.715 . . . . 0.39000000000000001 109.071 178.656 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.501 ' N ' HG22 ' A' ' 35' ' ' THR . 2.2 t -104.9 104.66 47.61 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.336 -0.853 . . . . 0.41999999999999998 109.063 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.84 -4.41 0.24 Allowed 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 122.079 1.853 . . . . 0.80000000000000004 113.438 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -97.01 -64.46 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.043 -1.035 . . . . 0.53000000000000003 110.02 -179.09 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 18.7 p -105.99 10.27 32.31 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.417 -0.802 . . . . 0.46999999999999997 108.952 179.533 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' CYS . 77.9 m-85 58.48 17.38 4.84 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.664 -0.647 . . . . 0.66000000000000003 110.58 179.541 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.556 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.13 139.87 45.92 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.546 -1.347 . . . . 0.38 108.02 178.872 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.61 110.71 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.147 -0.97 . . . . 0.41999999999999998 109.972 -179.372 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' ALA . 28.5 mm -108.01 130.29 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 107.739 -1.208 . . . . 0.26000000000000001 107.739 178.858 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 32' ' ' GLN . 70.9 mtt180 -73.78 -60.98 2.0 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.611 -0.836 . . . . 2.0499999999999998 110.48 -178.567 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.684 HE22 ' NH2' ' A' ' 47' ' ' ARG . 89.9 mt-30 -80.22 132.94 35.96 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.959 -1.088 . . . . 1.22 110.014 -179.36 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.3 p -63.08 -33.12 74.76 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.057 -1.027 . . . . 0.34999999999999998 109.758 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.684 ' NH2' HE22 ' A' ' 45' ' ' GLN . 27.6 ptt180 -60.27 -42.51 95.54 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.889 -1.132 . . . . 0.85999999999999999 108.758 179.297 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -64.91 -27.9 69.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.269 -0.895 . . . . 0.33000000000000002 108.941 178.588 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.33 -42.8 96.38 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.402 -1.436 . . . . 0.37 109.367 179.775 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HG2' HH11 ' A' ' 50' ' ' ARG . 52.3 mtt-85 -59.96 -41.95 93.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.049 -1.032 . . . . 3.2400000000000002 109.113 -179.294 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -64.88 -34.66 78.93 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.388 -0.82 . . . . 0.45000000000000001 109.472 178.757 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -63.36 -36.64 84.39 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.276 -0.89 . . . . 0.33000000000000002 110.252 -179.6 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.12 -45.95 91.25 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.268 -0.895 . . . . 0.44 109.296 -179.818 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.914 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 86.8 mt-10 -72.06 -27.21 62.53 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.168 -0.958 . . . . 2.0800000000000001 113.073 -178.636 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.8 mt -92.82 -35.09 13.58 Favored 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.267 -1.52 . . . . 0.5 112.514 -177.448 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.55 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.1 mmm180 -109.21 20.09 18.71 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 120.612 -1.305 . . . . 2.21 112.334 -177.275 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.5 m-70 -156.09 -69.19 0.11 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.176 -1.578 . . . . 0.67000000000000004 110.835 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -78.15 -2.38 37.25 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.922 -1.112 . . . . 0.88 109.621 -179.375 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.914 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -74.8 2.17 10.78 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.212 -0.93 . . . . 1.0700000000000001 108.545 178.839 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -89.91 135.88 29.8 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.194 -0.941 . . . . 3.6499999999999999 109.606 -179.495 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.88 145.79 51.58 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.528 1.485 . . . . 2.3300000000000001 111.841 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.0 4.36 31.67 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.886 -1.286 . . . . 3.27 109.886 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.495 1.818 0 O-C-N 120.935 -1.333 . . . . 5.1799999999999997 109.454 -179.85 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.185 0 O4'-C1'-N19 110.682 3.602 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.505 3.381 . . . . 0.77000000000000002 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.515 ' C6 ' ' NH2' ' A' ' 51' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.586 0 O4'-C1'-N19 110.993 3.991 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.537 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.314 0 O4'-C1'-N19 110.883 3.853 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.537 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.124 4.155 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.4 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.22 0 O4'-C1'-N19 110.331 3.164 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.502 ' N3 ' ' NH1' ' A' ' 14' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.593 0 O4'-C1'-N19 110.422 3.277 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.489 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.438 1 O4'-C1'-N19 111.313 4.391 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.528 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.064 0 O4'-C1'-N19 110.569 3.461 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.528 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.5 0 O4'-C1'-N19 110.432 3.29 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.48 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.015 1 O4'-C1'-N19 111.139 4.174 . . . . 0.95999999999999996 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.802 0 O4'-C1'-N19 110.154 2.943 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.445 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.866 0 O4'-C1'-N19 110.906 3.883 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.466 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.635 0 O4'-C1'-N19 110.707 3.633 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.466 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.948 0 O4'-C1'-N19 110.373 3.216 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.662 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.003 0 O4'-C1'-N19 110.724 3.656 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.662 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 4.0 1 O4'-C1'-N19 111.683 4.853 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.439 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.169 0 O4'-C1'-N19 110.783 3.728 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.472 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.004 0 O4'-C1'-N19 110.574 3.467 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.472 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.548 0 O4'-C1'-N19 110.814 3.768 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.454 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.159 0 O4'-C1'-N19 110.55 3.437 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.655 0 C3'-C2'-C1' 106.964 3.046 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 N--CA 1.493 1.48 0 CA-C-O 121.333 0.472 . . . . 7.5599999999999996 112.14 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -78.62 143.41 36.42 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.139 -0.976 . . . . 7.46 109.433 -179.819 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.67 17.8 0.2 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.982 -1.074 . . . . 4.04 110.064 179.426 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' H ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -84.16 118.0 23.84 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.052 -1.03 . . . . 4.4900000000000002 109.705 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.502 ' NH1' ' N3 ' ' B' ' 107' ' ' ' DA' . 39.7 mtt-85 -90.82 91.4 8.34 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.115 -0.99 . . . . 0.79000000000000004 109.666 179.631 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.22 123.72 36.7 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.434 -0.791 . . . . 0.93000000000000005 110.218 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -89.97 13.95 13.43 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.27 -0.894 . . . . 2.1000000000000001 109.321 178.833 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.622 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 42.1 m80 -80.45 -30.69 0.6 Allowed Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.112 -0.992 . . . . 3.25 112.394 -178.42 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 48.4 Cg_exo -57.36 146.43 82.84 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 121.89 1.726 . . . . 1.0 112.32 -179.328 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.29 178.48 7.45 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.401 2.067 . . . . 1.3700000000000001 111.945 178.779 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.3 26.86 62.85 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.516 -1.033 . . . . 1.3 110.516 178.793 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 21' ' ' THR . 9.0 t -89.28 94.74 10.02 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.014 -1.286 . . . . 1.05 109.576 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -84.27 145.01 28.53 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.207 -1.034 . . . . 2.5899999999999999 108.207 179.152 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -105.22 76.8 0.33 Allowed Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.418 -0.801 . . . . 2.3199999999999998 110.319 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.24 144.13 45.55 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.435 1.423 . . . . 0.85999999999999999 111.556 179.07 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.523 ' HG2' HH11 ' A' ' 25' ' ' ARG . 29.6 mtt-85 -69.84 -9.44 54.77 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.375 -0.828 . . . . 3.7400000000000002 109.829 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -71.23 -9.67 58.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.328 -0.858 . . . . 0.87 110.429 -179.424 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.489 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 22.1 mmt180 -102.8 -25.3 13.56 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.951 -1.093 . . . . 1.0600000000000001 110.206 -179.377 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 p -105.41 -33.03 8.29 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.094 -1.004 . . . . 0.66000000000000003 109.557 -179.664 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -64.31 -31.08 72.15 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.072 -1.017 . . . . 2.8199999999999998 109.418 179.663 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -58.06 -29.73 65.63 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.563 -0.711 . . . . 0.44 109.661 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.588 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 62.2 mm-40 -95.34 139.73 31.23 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.32 -0.863 . . . . 1.3 109.925 -179.246 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.501 ' N ' ' NE2' ' A' ' 32' ' ' GLN . 3.1 mp0 -114.22 152.21 45.71 Favored Pre-proline 0 N--CA 1.5 2.061 0 N-CA-C 108.378 -0.971 . . . . 2.0699999999999998 108.378 178.868 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -42.03 156.2 0.08 OUTLIER 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.4 2.066 . . . . 0.47999999999999998 112.376 179.609 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -146.04 139.63 26.21 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.065 -1.022 . . . . 0.27000000000000002 110.535 179.425 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 36' ' ' CYS . 85.0 m -117.69 158.56 24.47 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 115.926 -0.579 . . . . 0.39000000000000001 109.523 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 40' ' ' TYR . 5.9 t -104.6 103.39 39.74 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.513 -0.742 . . . . 0.41999999999999998 109.622 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.02 -4.79 0.4 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 121.816 1.677 . . . . 0.80000000000000004 113.219 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.0 mt -95.8 -50.03 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 120.884 -1.135 . . . . 0.53000000000000003 110.153 -179.025 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.4 p -123.32 14.28 9.64 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 108.602 -0.888 . . . . 0.46999999999999997 108.602 179.664 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' CYS . 80.6 m-85 53.65 15.1 0.7 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.832 -0.543 . . . . 0.66000000000000003 110.961 178.793 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.615 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -54.61 139.44 38.45 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.67 -1.233 . . . . 0.38 107.67 178.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -94.3 109.3 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.137 -0.977 . . . . 0.41999999999999998 110.915 -178.168 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 34' ' ' ALA . 47.1 mm -106.0 130.12 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 108.421 -0.955 . . . . 0.26000000000000001 108.421 178.676 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -75.2 -61.85 1.76 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.802 -1.186 . . . . 2.0499999999999998 110.92 -178.638 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.468 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 90.9 mt-30 -80.12 130.25 35.1 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.078 -1.014 . . . . 1.22 110.686 -179.301 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -60.77 -33.27 72.7 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.328 -0.857 . . . . 0.34999999999999998 109.678 179.792 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.588 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.96 -37.88 80.87 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.945 -1.102 . . . . 0.85999999999999999 108.509 179.61 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -69.92 -30.3 67.67 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.324 -0.86 . . . . 0.33000000000000002 109.768 178.894 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.7 tp -56.36 -46.7 79.9 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.751 -1.218 . . . . 0.37 108.807 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -58.0 -39.9 79.39 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.669 -1.234 . . . . 3.2400000000000002 107.669 179.398 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' NH2' ' C6 ' ' B' ' 103' ' ' ' DC' . 49.3 ttp180 -63.85 -40.51 96.73 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.793 0.806 . . . . 0.45000000000000001 109.325 179.346 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -60.23 -38.3 83.0 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.639 -0.663 . . . . 0.33000000000000002 109.244 -179.621 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.7 -41.95 91.9 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.901 -1.125 . . . . 0.44 109.878 -179.473 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.631 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 95.3 mt-10 -75.62 -16.75 60.18 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.486 -0.759 . . . . 2.0800000000000001 112.958 -178.766 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.5 mt -95.7 -44.15 7.58 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.326 -1.484 . . . . 0.5 112.035 -177.722 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 23.3 mmm180 -108.89 16.28 22.82 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 121.099 -1.001 . . . . 2.21 111.938 -178.087 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.3 m-70 -150.67 -75.64 0.15 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.253 -1.529 . . . . 0.67000000000000004 110.133 -179.853 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -80.88 16.51 1.43 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.205 -0.934 . . . . 0.88 110.266 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -69.48 -12.0 61.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.202 -0.936 . . . . 1.0700000000000001 109.936 -179.739 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -91.64 153.24 43.92 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.165 -0.96 . . . . 3.6499999999999999 108.796 179.732 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -48.99 153.94 3.59 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.25 1.3 . . . . 2.3300000000000001 111.345 178.936 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.77 -162.79 24.62 Favored Glycine 0 N--CA 1.492 2.372 0 C-N-CA 119.445 -1.359 . . . . 3.27 110.197 -179.407 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.498 1.938 0 O-C-N 121.302 -1.117 . . . . 5.1799999999999997 109.356 179.953 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.417 H2'' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.251 0 C3'-C2'-C1' 107.024 3.089 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.457 ' OP1' ' NH2' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.881 0 C3'-C2'-C1' 106.964 3.046 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.62 3.524 . . . . 0.65000000000000002 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.414 ' C2 ' ' C2 ' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.448 0 O4'-C1'-N19 110.823 3.778 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.506 ' N3 ' ' N7 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.314 1 O4'-C1'-N19 111.544 4.68 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.506 ' N7 ' ' N3 ' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.511 0 O4'-C1'-N19 110.762 3.702 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.415 ' N7 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-N19 110.483 3.354 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.447 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.773 0 C3'-C2'-C1' 106.902 3.001 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.447 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.877 0 O4'-C1'-N19 110.527 3.409 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.538 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.811 0 O4'-C1'-N19 110.464 3.329 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.538 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.08 0 O4'-C1'-N19 110.179 2.974 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.971 3.964 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.668 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.73 0 C3'-C2'-C1' 106.905 3.003 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.668 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.616 1 O4'-C1'-N19 111.249 4.311 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.485 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.662 0 C3'-C2'-C1' 106.857 2.969 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.553 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.868 0 C3'-C2'-C1' 106.94 3.028 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.553 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.952 1 O4'-C1'-N19 111.843 5.053 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.433 1 O4'-C1'-N19 111.61 4.762 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.783 1 O4'-C1'-N19 111.018 4.023 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.608 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.112 0 O4'-C1'-N19 110.395 3.244 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.608 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.779 1 O4'-C1'-N19 111.608 4.76 . . . . 0.73999999999999999 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.901 0 C3'-C2'-C1' 106.917 3.012 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo . . . . . 0 N--CA 1.492 1.433 0 CA-C-O 121.017 0.34 . . . . 7.5599999999999996 112.198 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -82.49 146.1 29.43 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.133 -0.979 . . . . 7.46 109.765 179.346 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.07 -107.74 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.532 -0.914 . . . . 4.04 108.532 179.087 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.87 -138.35 0.08 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.293 -1.003 . . . . 4.4900000000000002 108.293 179.417 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -85.3 97.32 9.88 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.121 -0.987 . . . . 0.79000000000000004 108.776 179.491 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.61 132.73 41.95 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.7 -0.625 . . . . 0.93000000000000005 110.584 -179.15 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -90.46 7.86 36.71 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.361 -0.837 . . . . 2.1000000000000001 109.184 178.29 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.597 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.5 m80 -78.76 -27.79 0.54 Allowed Pre-proline 0 N--CA 1.505 2.292 0 N-CA-C 113.69 0.996 . . . . 3.25 113.69 -177.717 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 75.6 Cg_exo -52.0 146.34 29.98 Favored 'Trans proline' 0 N--CA 1.5 1.909 0 C-N-CA 121.186 1.257 . . . . 1.0 112.114 -178.308 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.51 168.26 21.6 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.22 1.946 . . . . 1.3700000000000001 112.557 -179.353 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.45 29.15 60.35 Favored Glycine 0 N--CA 1.496 2.634 0 C-N-CA 120.235 -0.983 . . . . 1.3 111.112 178.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.403 ' H ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -97.07 84.15 3.48 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.914 -1.345 . . . . 1.05 109.49 179.803 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -78.26 145.84 35.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.947 -1.096 . . . . 2.5899999999999999 109.011 179.76 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -90.52 110.94 44.62 Favored Pre-proline 0 N--CA 1.499 1.994 0 O-C-N 121.121 -0.987 . . . . 2.3199999999999998 110.399 -179.502 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -84.24 140.16 8.52 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 121.66 1.574 . . . . 0.85999999999999999 111.051 178.598 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.497 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 6.5 mpt_? -70.28 -14.46 62.6 Favored 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 119.01 -1.076 . . . . 3.7400000000000002 109.123 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -69.98 -10.3 58.12 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.356 -0.84 . . . . 0.87 111.219 -179.228 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 27' ' ' ARG . 6.7 mmt-85 -99.95 -17.7 17.43 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.823 -1.173 . . . . 1.0600000000000001 110.423 -179.579 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 p -109.88 -44.12 3.87 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.069 -1.02 . . . . 0.66000000000000003 110.257 -179.795 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -61.82 -23.08 66.01 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.337 -0.852 . . . . 2.8199999999999998 109.773 -179.23 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.3 m -58.81 -39.03 79.94 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.524 -0.735 . . . . 0.44 109.942 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.578 ' CG ' HH21 ' A' ' 47' ' ' ARG . 80.5 mm-40 -96.68 148.32 22.99 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.273 -0.892 . . . . 1.3 109.661 -179.772 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -113.13 150.37 42.86 Favored Pre-proline 0 N--CA 1.503 2.191 0 N-CA-C 108.349 -0.982 . . . . 2.0699999999999998 108.349 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -39.07 154.81 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.189 0 C-N-CA 121.779 1.653 . . . . 0.47999999999999998 111.762 -179.713 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.46 139.26 28.2 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.295 -0.878 . . . . 0.27000000000000002 110.18 -179.337 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 36' ' ' CYS . 52.2 m -117.07 159.55 22.38 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 109.134 -0.691 . . . . 0.39000000000000001 109.134 178.633 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.472 ' N ' HG22 ' A' ' 35' ' ' THR . 3.8 t -101.97 106.43 47.46 Favored Pre-proline 0 N--CA 1.499 2.018 0 O-C-N 121.602 -0.686 . . . . 0.41999999999999998 109.959 179.844 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -55.57 -7.11 1.22 Allowed 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 121.715 1.61 . . . . 0.80000000000000004 113.47 179.163 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.9 mt -97.01 -51.02 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 120.741 -1.224 . . . . 0.53000000000000003 110.478 -178.36 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.4 p -123.74 22.14 9.05 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.531 -0.731 . . . . 0.46999999999999997 109.365 179.642 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 36' ' ' CYS . 80.4 m-85 48.7 17.93 0.17 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.636 -0.665 . . . . 0.66000000000000003 112.175 178.516 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.3 136.59 56.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.486 -1.383 . . . . 0.38 108.454 178.628 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.6 t -92.17 116.22 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.057 -1.027 . . . . 0.41999999999999998 110.115 -179.115 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ALA . 28.8 mm -114.05 129.79 69.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 108.036 -1.098 . . . . 0.26000000000000001 108.036 178.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -73.64 -65.09 0.87 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.956 -1.09 . . . . 2.0499999999999998 111.22 -179.448 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -79.98 137.9 36.94 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.209 -1.557 . . . . 1.22 111.417 -178.545 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.3 p -62.49 -34.2 76.39 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.454 -0.779 . . . . 0.34999999999999998 109.865 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.578 HH21 ' CG ' ' A' ' 31' ' ' GLU . 12.2 ptp180 -60.05 -38.57 83.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.991 -1.068 . . . . 0.85999999999999999 108.585 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -68.18 -31.04 70.29 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.585 -0.697 . . . . 0.33000000000000002 109.16 179.128 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.81 -42.2 92.93 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 118.884 -1.126 . . . . 0.37 108.841 -179.09 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -59.95 -41.46 91.93 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.998 -1.064 . . . . 3.2400000000000002 108.298 179.442 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -64.56 -37.18 86.67 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.469 -0.769 . . . . 0.45000000000000001 109.629 179.211 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -61.28 -40.77 95.36 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.306 -0.871 . . . . 0.33000000000000002 109.356 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.84 -40.66 89.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.383 -0.823 . . . . 0.44 110.081 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.718 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 81.0 mm-40 -74.47 -24.77 59.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.198 -0.939 . . . . 2.0800000000000001 112.262 -179.21 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.58 ' C ' ' HE ' ' A' ' 56' ' ' ARG . 94.5 mt -93.23 -41.64 9.78 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.576 -1.327 . . . . 0.5 112.333 -177.92 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.58 ' HE ' ' C ' ' A' ' 55' ' ' LEU . 4.0 mmp_? -104.25 14.26 30.65 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.729 -1.232 . . . . 2.21 111.968 -177.533 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.7 m-70 -153.59 -70.9 0.14 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 119.996 -1.69 . . . . 0.67000000000000004 111.069 179.861 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -81.96 14.79 2.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.964 -1.085 . . . . 0.88 109.511 -179.803 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.27 -1.63 13.39 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.426 -0.796 . . . . 1.0700000000000001 109.34 179.534 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -85.23 150.45 54.8 Favored Pre-proline 0 N--CA 1.495 1.812 0 O-C-N 120.658 -1.276 . . . . 3.6499999999999999 108.491 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.93 163.72 37.93 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 121.67 1.58 . . . . 2.3300000000000001 111.948 -179.613 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.11 136.95 20.55 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 109.773 -1.331 . . . . 3.27 109.773 179.715 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.502 2.149 0 O-C-N 121.359 -1.083 . . . . 5.1799999999999997 109.48 179.785 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.494 " O5'" ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.404 0 O4'-C1'-N19 110.737 3.671 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.426 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.519 0 O4'-C1'-N19 110.477 3.346 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.453 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.324 1 O4'-C1'-N19 111.061 4.076 . . . . 0.65000000000000002 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.453 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.588 0 O4'-C1'-N19 110.861 3.826 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.414 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.401 1 O4'-C1'-N19 111.902 5.128 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.546 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.63 0 C3'-C2'-C1' 107.078 3.127 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.546 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.164 1 O4'-C1'-N19 111.235 4.294 . . . . 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.473 ' O6 ' ' C6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.979 0 O4'-C1'-N19 110.802 3.753 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.541 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.197 0 O4'-C1'-N19 110.449 3.311 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.541 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.566 3.457 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.476 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.15 0 O4'-C1'-N19 110.303 3.128 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.487 1 O4'-C1'-N19 111.144 4.181 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.957 0 C3'-C2'-C1' 106.992 3.066 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 0 O4'-C1'-N19 110.615 3.519 . . . . 0.56999999999999995 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.169 0 O4'-C1'-N19 110.532 3.415 . . . . 0.53000000000000003 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.578 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.318 0 O4'-C1'-N19 110.651 3.563 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.609 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.021 1 O4'-C1'-N19 111.767 4.959 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.609 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.955 0 O4'-C1'-N19 110.951 3.938 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.449 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.362 1 O4'-C1'-N19 111.985 5.231 . . . . 0.64000000000000001 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.439 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.91 1 O4'-C1'-N19 111.886 5.107 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.386 0 O4'-C1'-N19 110.387 3.234 . . . . 0.73999999999999999 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . 0.44 ' H6 ' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.765 0 C3'-C2'-C1' 106.963 3.045 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo . . . . . 0 N--CA 1.494 1.508 0 CA-C-O 121.393 0.497 . . . . 7.5599999999999996 111.96 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' H ' ' HD2' ' A' ' 11' ' ' LYS . 2.5 mptp? -84.62 139.44 32.07 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.261 -0.9 . . . . 7.46 109.653 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.69 121.15 3.24 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.448 -0.783 . . . . 4.04 109.7 -179.595 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -152.57 -101.26 0.05 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.678 -1.264 . . . . 4.4900000000000002 110.097 179.375 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.439 HH12 " H1'" ' C' ' 117' ' ' ' DC' . 97.3 mtt180 -84.36 97.52 9.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.812 -1.18 . . . . 0.79000000000000004 110.359 -179.003 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.3 104.19 14.28 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.595 -0.691 . . . . 0.93000000000000005 109.646 179.123 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -88.01 5.27 41.65 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.878 -1.139 . . . . 2.1000000000000001 109.257 179.121 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.531 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 13.4 t-80 -78.33 -47.06 2.05 Favored Pre-proline 0 N--CA 1.499 2.016 0 O-C-N 121.41 -0.806 . . . . 3.25 111.804 -179.359 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 17' ' ' HIS . 24.9 Cg_endo -59.71 161.53 17.83 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 CA-C-N 120.503 1.215 . . . . 1.0 111.648 -179.828 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -57.34 178.11 0.18 Allowed 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.862 2.375 . . . . 1.3700000000000001 112.818 -179.079 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.64 21.33 78.84 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.907 -1.277 . . . . 1.3 109.907 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 21' ' ' THR . 9.7 t -93.0 90.65 7.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.284 -1.127 . . . . 1.05 109.658 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -80.73 138.23 36.31 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.133 -0.979 . . . . 2.5899999999999999 108.796 179.149 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -107.22 70.69 0.28 Allowed Pre-proline 0 N--CA 1.503 2.184 0 O-C-N 121.355 -0.841 . . . . 2.3199999999999998 111.008 -179.336 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.78 142.0 67.97 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 121.389 1.393 . . . . 0.85999999999999999 111.289 179.158 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -72.6 -3.12 22.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.163 -0.961 . . . . 3.7400000000000002 110.262 -179.337 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.4 m -70.07 -4.88 23.13 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.142 -0.974 . . . . 0.87 108.742 179.655 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -101.39 -26.47 13.58 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.202 -0.666 . . . . 1.0600000000000001 109.202 -178.631 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 p -108.19 -36.62 6.25 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.88 -0.785 . . . . 0.66000000000000003 108.88 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -59.87 -34.75 73.56 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.526 -0.87 . . . . 2.8199999999999998 108.839 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.402 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 9.0 m -70.82 -22.94 62.28 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.91 -1.119 . . . . 0.44 108.727 178.807 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -87.36 135.47 33.31 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.384 -0.969 . . . . 1.3 108.384 179.732 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 3.9 mp0 -113.07 152.62 45.14 Favored Pre-proline 0 N--CA 1.492 1.665 0 N-CA-C 108.319 -0.993 . . . . 2.0699999999999998 108.319 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -52.67 154.22 12.74 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 121.094 1.196 . . . . 0.47999999999999998 111.209 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -142.63 136.33 29.03 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.216 -0.927 . . . . 0.27000000000000002 110.689 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.7 m -116.63 148.75 40.69 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.388 -0.82 . . . . 0.39000000000000001 109.951 179.153 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.9 t -88.35 131.67 41.61 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.252 -0.905 . . . . 0.41999999999999998 108.954 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -79.12 -4.86 14.14 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.65 1.566 . . . . 0.80000000000000004 112.362 -179.615 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.8 mt -99.34 -54.58 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.139 -0.976 . . . . 0.53000000000000003 109.971 -179.694 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.6 p -118.68 27.68 8.76 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.471 -0.768 . . . . 0.46999999999999997 110.691 -179.256 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 42.83 15.96 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.359 -0.838 . . . . 0.66000000000000003 111.081 179.186 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.71 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.45 133.19 52.98 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 106.997 -1.483 . . . . 0.38 106.997 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.1 t -92.33 116.98 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.76 -1.212 . . . . 0.41999999999999998 110.513 -178.487 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' ALA . 27.3 mm -111.89 129.8 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 N-CA-C 107.089 -1.449 . . . . 0.26000000000000001 107.089 178.186 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.489 ' HG2' HH11 ' A' ' 44' ' ' ARG . 9.6 mtt-85 -72.31 -61.27 1.86 Allowed 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.681 -1.262 . . . . 2.0499999999999998 110.64 -178.286 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.555 ' NE2' HH21 ' A' ' 47' ' ' ARG . 89.2 mt-30 -77.98 135.89 37.88 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.265 -0.897 . . . . 1.22 110.642 -178.94 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -65.13 -38.87 92.02 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.466 -0.772 . . . . 0.34999999999999998 110.631 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.555 HH21 ' NE2' ' A' ' 45' ' ' GLN . 24.6 ptt180 -58.58 -39.38 80.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.727 -1.233 . . . . 0.85999999999999999 109.06 -179.818 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.45 -31.9 72.94 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.213 -0.929 . . . . 0.33000000000000002 109.853 179.521 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.29 -41.76 85.1 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.655 -1.278 . . . . 0.37 108.701 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -57.49 -40.04 77.75 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.513 -1.367 . . . . 3.2400000000000002 107.748 179.727 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -68.14 -35.18 77.68 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 109.467 -0.568 . . . . 0.45000000000000001 109.467 179.216 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -60.32 -37.09 79.53 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.068 -1.02 . . . . 0.33000000000000002 108.717 178.828 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.27 -46.73 89.13 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -0.869 . . . . 0.44 110.415 -179.56 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.783 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.2 mm-40 -70.26 -25.26 63.28 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.971 -1.081 . . . . 2.0800000000000001 112.511 -179.223 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.8 mt -94.01 -38.44 11.15 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.769 -1.207 . . . . 0.5 112.602 -177.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.52 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 19.8 mmm-85 -106.5 13.89 27.84 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 120.583 -1.323 . . . . 2.21 112.215 -177.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.52 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 93.1 m-70 -153.82 -71.68 0.13 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.287 -1.508 . . . . 0.67000000000000004 111.042 179.526 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -79.81 12.78 2.46 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.855 -1.153 . . . . 0.88 110.238 -179.15 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.783 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.33 -0.36 9.91 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.193 -0.942 . . . . 1.0700000000000001 109.437 179.686 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -84.15 148.92 54.54 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 121.294 -0.879 . . . . 3.6499999999999999 108.867 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.43 160.98 46.87 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 122.03 1.82 . . . . 2.3300000000000001 112.418 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -44.26 140.04 3.93 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.568 -1.413 . . . . 3.27 109.568 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 68.0 t . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 117.787 -1.102 . . . . 5.1799999999999997 109.451 -179.68 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.676 HO5' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.764 0 C3'-C2'-C1' 106.85 2.964 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.704 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.287 0 O4'-C1'-N19 110.359 3.199 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.704 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.322 0 O4'-C1'-N19 110.686 3.607 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.432 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.253 0 O4'-C1'-N19 110.764 3.705 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.522 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.534 2.901 1 O4'-C1'-N19 111.564 4.705 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.608 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.997 0 O4'-C1'-N19 110.348 3.185 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.608 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.87 3.838 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.7 0 O4'-C1'-N19 110.737 3.672 . . . . 0.66000000000000003 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.546 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.045 0 O4'-C1'-N19 110.885 3.856 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.546 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.553 0 O4'-C1'-N19 110.34 3.175 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.49 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.056 0 O4'-C1'-N19 110.856 3.82 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.729 0 O4'-C1'-N19 110.889 3.862 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.879 0 O4'-C1'-N19 110.373 3.217 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.433 ' C8 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.233 1 O4'-C1'-N19 112.15 5.438 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.435 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.764 0 C3'-C2'-C1' 107.008 3.077 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.435 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.757 0 C3'-C2'-C1' 107.11 3.15 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.488 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.743 1 O4'-C1'-N19 111.269 4.336 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.488 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.865 1 O4'-C1'-N19 111.464 4.58 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.45 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.778 0 O4'-C1'-N19 110.514 3.393 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.529 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.44 1 O4'-C1'-N19 111.078 4.098 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.529 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.344 1 O4'-C1'-N19 111.152 4.19 . . . . 0.73999999999999999 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.164 0 O4'-C1'-N19 110.666 3.582 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.417 ' C ' ' H ' ' A' ' 12' ' ' ALA . 27.7 Cg_exo . . . . . 0 N--CA 1.495 1.563 0 CA-C-O 121.458 0.524 . . . . 7.5599999999999996 111.729 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -80.03 21.83 0.55 Allowed 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.33 -0.856 . . . . 7.46 109.129 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 10' ' ' PRO . . . -159.05 124.3 4.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.652 -0.655 . . . . 4.04 110.117 -179.71 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -77.89 170.05 17.25 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.357 -0.839 . . . . 4.4900000000000002 109.706 179.55 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -81.03 91.15 6.04 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.023 -1.048 . . . . 0.79000000000000004 109.512 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.49 130.49 44.57 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.412 -0.805 . . . . 0.93000000000000005 111.038 -179.812 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -93.83 4.65 53.61 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.418 -0.801 . . . . 2.1000000000000001 110.106 178.538 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.595 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 8.5 t-80 -81.14 -33.76 0.7 Allowed Pre-proline 0 N--CA 1.503 2.215 0 O-C-N 120.918 -1.113 . . . . 3.25 112.467 -177.862 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.6 Cg_exo -53.04 152.24 18.82 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 121.329 1.352 . . . . 1.0 111.106 -178.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -74.5 179.88 5.48 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.305 2.003 . . . . 1.3700000000000001 112.427 -178.595 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.87 29.98 58.34 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 110.237 -1.145 . . . . 1.3 110.237 179.572 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 21' ' ' THR . 14.3 t -88.17 96.58 10.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.976 -1.308 . . . . 1.05 109.057 -179.864 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -78.19 146.08 35.2 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.164 -0.96 . . . . 2.5899999999999999 109.256 -179.791 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' CD ' ' OP1' ' B' ' 106' ' ' ' DG' . 25.7 mmtm -108.46 94.05 12.93 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 121.564 -0.71 . . . . 2.3199999999999998 110.323 179.581 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -84.48 132.58 5.08 Favored 'Trans proline' 0 N--CA 1.487 1.092 0 C-N-CA 121.887 1.724 . . . . 0.85999999999999999 110.935 179.297 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -74.64 -12.94 60.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.095 -1.003 . . . . 3.7400000000000002 109.171 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 30' ' ' SER . 70.3 m -70.93 -3.67 20.53 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.336 -0.853 . . . . 0.87 110.424 -179.323 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.433 ' NH1' ' C8 ' ' C' ' 114' ' ' ' DA' . 14.9 mmm180 -111.66 -17.69 12.95 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.236 -0.915 . . . . 1.0600000000000001 110.758 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.6 p -104.88 -35.83 7.58 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.729 -1.232 . . . . 0.66000000000000003 109.187 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -73.47 -30.33 63.09 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.334 -0.854 . . . . 2.8199999999999998 109.509 178.791 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 26' ' ' SER . 26.7 m -56.43 -36.4 68.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.508 -0.745 . . . . 0.44 109.729 -179.456 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -92.55 139.0 31.03 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.008 -1.058 . . . . 1.3 109.116 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -112.74 150.35 42.61 Favored Pre-proline 0 N--CA 1.495 1.789 0 N-CA-C 108.167 -1.049 . . . . 2.0699999999999998 108.167 179.691 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -39.01 157.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.229 0 C-N-CA 122.08 1.854 . . . . 0.47999999999999998 112.153 -179.313 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.59 137.91 21.85 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.044 -1.035 . . . . 0.27000000000000002 110.958 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.5 m -115.42 146.59 41.46 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.413 -0.804 . . . . 0.39000000000000001 109.557 179.115 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.7 t -85.75 126.92 64.67 Favored Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.083 -1.011 . . . . 0.41999999999999998 108.488 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -77.02 -3.14 13.43 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 121.429 1.419 . . . . 0.80000000000000004 112.743 -179.174 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.5 mt -99.99 -48.06 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.085 -1.009 . . . . 0.53000000000000003 110.521 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.1 p -123.38 16.82 9.76 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.432 -0.793 . . . . 0.46999999999999997 110.297 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 54.91 17.48 1.83 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.299 -0.875 . . . . 0.66000000000000003 111.569 178.823 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.533 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.44 134.57 56.77 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.556 -1.34 . . . . 0.38 107.645 178.542 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.2 t -92.73 112.51 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.997 -1.065 . . . . 0.41999999999999998 109.834 -179.034 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.2 mm -108.14 128.23 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 107.582 -1.266 . . . . 0.26000000000000001 107.582 179.102 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.547 ' HG2' HH11 ' A' ' 44' ' ' ARG . 18.6 mtt-85 -71.22 -64.16 0.97 Allowed 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 118.661 -1.216 . . . . 2.0499999999999998 110.201 -179.065 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.522 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 87.0 mt-30 -77.2 140.68 40.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.13 -0.981 . . . . 1.22 110.997 -179.026 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.52 -38.43 87.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.466 -0.771 . . . . 0.34999999999999998 109.911 179.43 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.415 HH22 HH21 ' A' ' 27' ' ' ARG . 11.9 ptp180 -56.01 -41.28 74.67 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.828 -1.17 . . . . 0.85999999999999999 108.618 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.415 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 94.4 m-20 -64.55 -29.95 70.97 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.327 -0.858 . . . . 0.33000000000000002 109.853 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.8 tp -59.37 -46.33 88.96 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.985 -1.072 . . . . 0.37 109.641 -179.583 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -58.88 -40.03 83.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.907 -1.121 . . . . 3.2400000000000002 108.028 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -63.59 -39.84 95.41 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.563 0.697 . . . . 0.45000000000000001 109.275 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -60.56 -39.28 87.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.535 -0.728 . . . . 0.33000000000000002 109.972 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.2 -41.5 93.12 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.947 -1.095 . . . . 0.44 109.766 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.747 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 98.6 mt-10 -72.9 -26.15 61.32 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.205 -0.934 . . . . 2.0800000000000001 111.362 -179.349 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.0 mt -88.59 -51.53 5.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.981 -1.074 . . . . 0.5 112.775 -177.636 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.548 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 24.1 mmm180 -103.18 21.2 16.25 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 120.701 -1.249 . . . . 2.21 111.915 -177.283 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.7 m-70 -155.75 -76.29 0.1 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.188 -1.57 . . . . 0.67000000000000004 111.344 179.75 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.88 14.78 1.25 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.018 -1.051 . . . . 0.88 110.143 -178.433 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -68.47 -5.28 18.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.131 -0.981 . . . . 1.0700000000000001 108.44 179.351 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -91.46 146.41 33.25 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.223 -0.923 . . . . 3.6499999999999999 108.934 178.863 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -64.88 137.14 51.97 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.151 1.901 . . . . 2.3300000000000001 112.301 179.853 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -113.14 -82.6 1.16 Allowed Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.148 -1.581 . . . . 3.27 109.148 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.1 m . . . . . 0 N--CA 1.495 1.822 0 O-C-N 121.388 -1.066 . . . . 5.1799999999999997 108.959 179.496 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.661 3.576 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.539 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.791 0 C3'-C2'-C1' 107.033 3.095 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.539 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.524 0 O4'-C1'-N19 110.833 3.791 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.493 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.035 1 O4'-C1'-N19 111.168 4.21 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.493 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.735 1 O4'-C1'-N19 111.2 4.25 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.538 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.508 0 O4'-C1'-N19 110.575 3.468 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.542 ' N7 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.672 3.59 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.554 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.78 1 O4'-C1'-N19 111.049 4.061 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.423 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.714 0 O4'-C1'-N19 110.841 3.801 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.551 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.649 0 O4'-C1'-N19 110.529 3.411 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.551 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.447 0 O4'-C1'-N19 110.755 3.694 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.347 0 O4'-C1'-N19 110.363 3.204 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.592 0 C3'-C2'-C1' 106.915 3.011 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.419 ' C5 ' ' C4 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.48 1 O4'-C1'-N19 111.232 4.29 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.419 ' C4 ' ' C5 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.464 0 C3'-C2'-C1' 106.712 2.865 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.577 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.592 3.49 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.577 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.858 1 O4'-C1'-N19 111.135 4.169 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.571 1 O4'-C1'-N19 111.8 5.0 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.469 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.73 0 O4'-C1'-N19 110.806 3.758 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.469 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.62 0 O4'-C1'-N19 110.965 3.956 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 0 C3'-C2'-C1' 106.965 3.047 . . . . 0.73999999999999999 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . 0.444 ' H6 ' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.465 0 O4'-C1'-N19 110.462 3.327 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 N--CA 1.492 1.411 0 CA-C-O 121.461 0.525 . . . . 7.5599999999999996 112.161 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -155.54 -14.94 0.11 Allowed 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.45 -0.781 . . . . 7.46 109.803 -179.14 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.99 108.91 2.2 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 4.04 109.739 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -156.87 -167.85 2.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.217 -0.927 . . . . 4.4900000000000002 108.593 179.468 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -86.66 96.98 10.31 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.931 -1.106 . . . . 0.79000000000000004 109.877 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.29 112.5 24.84 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.437 -0.789 . . . . 0.93000000000000005 109.866 179.398 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -95.6 1.82 53.88 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.28 -0.888 . . . . 2.1000000000000001 109.279 178.931 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.616 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 25.2 t-80 -81.59 -32.66 0.63 Allowed Pre-proline 0 N--CA 1.499 1.987 0 O-C-N 121.18 -0.95 . . . . 3.25 112.437 -178.363 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.4 Cg_exo -54.86 158.7 10.53 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 122.165 1.91 . . . . 1.0 111.715 -179.505 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -67.86 172.96 9.89 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.346 2.031 . . . . 1.3700000000000001 111.956 -179.434 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.62 23.11 76.1 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.734 -1.346 . . . . 1.3 109.734 -179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 21' ' ' THR . 13.8 t -89.3 94.98 10.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.137 -1.213 . . . . 1.05 108.765 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -77.66 148.77 34.86 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.142 -0.974 . . . . 2.5899999999999999 109.119 -179.625 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -107.0 77.21 0.49 Allowed Pre-proline 0 N--CA 1.499 2.001 0 O-C-N 121.432 -0.793 . . . . 2.3199999999999998 111.019 -179.26 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -71.09 134.19 24.68 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.657 1.571 . . . . 0.85999999999999999 111.438 178.847 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -72.54 -11.05 60.5 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.274 -0.891 . . . . 3.7400000000000002 110.177 -179.093 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.4 m -72.0 -3.13 21.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.1 -1.0 . . . . 0.87 109.963 -179.5 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.554 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 0.4 OUTLIER -101.33 -26.37 13.64 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.206 -0.934 . . . . 1.0600000000000001 109.982 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 p -106.29 -32.26 8.25 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.37 -0.832 . . . . 0.66000000000000003 109.461 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -64.26 -37.24 86.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.222 -0.924 . . . . 2.8199999999999998 109.207 179.422 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -59.98 -30.43 69.11 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.535 -0.728 . . . . 0.44 109.332 -179.621 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -85.51 138.01 32.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.379 -0.826 . . . . 1.3 109.572 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -119.22 151.03 50.37 Favored Pre-proline 0 N--CA 1.504 2.24 0 O-C-N 121.515 -0.741 . . . . 2.0699999999999998 109.347 -179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -42.35 154.64 0.12 Allowed 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.893 1.729 . . . . 0.47999999999999998 112.18 179.274 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.92 136.95 23.38 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.059 -1.026 . . . . 0.27000000000000002 110.519 179.816 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.9 m -115.42 145.22 42.77 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.358 -0.839 . . . . 0.39000000000000001 109.271 178.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.9 t -80.4 128.74 71.71 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.527 -0.733 . . . . 0.41999999999999998 109.036 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -77.25 -2.79 13.01 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 121.372 1.382 . . . . 0.80000000000000004 111.592 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.4 mt -103.9 -56.38 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.493 -0.754 . . . . 0.53000000000000003 110.945 -179.203 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.605 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.4 p -112.81 18.47 18.19 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.281 -0.887 . . . . 0.46999999999999997 109.887 -179.253 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 50.27 17.13 0.31 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.385 -0.822 . . . . 0.66000000000000003 111.233 178.379 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.43 143.03 50.98 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.873 -1.142 . . . . 0.38 108.024 178.301 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.0 t -95.45 111.28 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.071 -1.018 . . . . 0.41999999999999998 110.425 -178.752 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 34' ' ' ALA . 26.5 mm -105.87 129.74 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 107.295 -1.372 . . . . 0.26000000000000001 107.295 178.312 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -74.28 -60.06 2.44 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 119.13 -1.028 . . . . 2.0499999999999998 110.278 -178.674 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.662 ' NE2' HH21 ' A' ' 47' ' ' ARG . 94.9 mt-30 -82.07 136.11 35.24 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.987 -1.07 . . . . 1.22 110.054 -179.759 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.3 p -66.85 -42.79 85.15 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.376 -0.827 . . . . 0.34999999999999998 110.144 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.662 HH21 ' NE2' ' A' ' 45' ' ' GLN . 21.7 ptt180 -55.14 -35.37 64.64 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.794 -1.191 . . . . 0.85999999999999999 108.827 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.498 ' CB ' HH12 ' A' ' 51' ' ' ARG . 84.5 m-20 -70.01 -29.02 65.98 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.998 -1.064 . . . . 0.33000000000000002 109.108 178.77 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.6 tp -54.95 -44.47 74.35 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 107.991 -1.115 . . . . 0.37 107.991 179.446 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' A' ' 50' ' ' ARG . 17.4 ttt-85 -57.74 -40.08 78.83 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.654 -1.239 . . . . 3.2400000000000002 107.654 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.498 HH12 ' CB ' ' A' ' 48' ' ' ASN . 12.2 ttp-105 -65.31 -39.26 92.26 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.515 -0.874 . . . . 0.45000000000000001 109.534 178.712 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -60.4 -39.59 87.91 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.346 -0.847 . . . . 0.33000000000000002 109.604 -179.759 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.63 -40.7 92.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.119 -0.988 . . . . 0.44 110.353 -179.676 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.797 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 66.5 mm-40 -74.31 -24.34 59.21 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.293 -0.879 . . . . 2.0800000000000001 111.914 -178.719 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.8 mt -94.55 -43.38 8.35 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 120.695 -1.253 . . . . 0.5 112.024 -178.466 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.1 mmm180 -104.04 16.93 25.17 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.924 -1.11 . . . . 2.21 112.462 -177.807 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 96.8 m-70 -153.96 -72.99 0.13 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.003 -1.686 . . . . 0.67000000000000004 110.941 179.502 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -78.89 8.6 5.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.866 -1.146 . . . . 0.88 109.52 -179.415 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.797 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.15 -0.82 10.55 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.327 -0.858 . . . . 1.0700000000000001 108.815 179.511 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -86.58 149.91 49.9 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.441 -0.787 . . . . 3.6499999999999999 109.2 -179.741 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.62 154.6 59.71 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.234 1.956 . . . . 2.3300000000000001 112.202 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.54 160.46 54.06 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.028 -1.629 . . . . 3.27 109.028 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.496 1.85 0 O-C-N 121.504 -0.998 . . . . 5.1799999999999997 109.602 -179.477 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.887 HO5' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.422 0 O4'-C1'-N19 110.335 3.168 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.553 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.762 0 O4'-C1'-N19 110.453 3.317 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.553 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.884 0 C3'-C2'-C1' 106.778 2.913 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.196 1 O4'-C1'-N19 111.743 4.929 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.421 ' C8 ' ' NE2' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.536 3.144 1 O4'-C1'-N19 111.294 4.368 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.505 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.363 0 O4'-C1'-N19 110.383 3.229 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.507 ' N3 ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.454 0 O4'-C1'-N19 110.727 3.659 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.852 1 O4'-C1'-N19 111.368 4.46 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.787 0 O4'-C1'-N19 110.902 3.877 . . . . 0.87 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.627 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.168 0 C3'-C2'-C1' 107.171 3.194 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.627 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.289 0 O4'-C1'-N19 110.239 3.049 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . 0.407 H2'' " O5'" ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.216 0 O4'-C1'-N19 110.845 3.806 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.407 " O5'" H2'' ' C' ' 112' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.769 0 O4'-C1'-N19 110.277 3.096 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.535 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.046 1 O4'-C1'-N19 111.445 4.556 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.535 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.7 0 C3'-C2'-C1' 107.03 3.093 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.641 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.702 0 O4'-C1'-N19 110.438 3.297 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.641 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.924 0 O4'-C1'-N19 110.682 3.602 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.428 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.062 1 O4'-C1'-N19 111.371 4.464 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.428 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O4'-C1'-N19 110.443 3.304 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.49 ' N2 ' ' C2 ' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.112 0 O4'-C1'-N19 110.677 3.596 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.49 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.722 0 O4'-C1'-N19 110.708 3.635 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.464 3.33 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo . . . . . 0 N--CA 1.494 1.508 0 CA-C-O 121.237 0.432 . . . . 7.5599999999999996 112.441 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -78.36 -168.7 1.41 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.213 -0.93 . . . . 7.46 109.865 -179.431 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.69 12.57 0.21 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.096 -1.003 . . . . 4.04 109.606 179.846 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -82.81 127.95 33.94 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.038 -1.039 . . . . 4.4900000000000002 108.926 179.403 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.507 ' NH2' ' N3 ' ' B' ' 107' ' ' ' DA' . 42.7 mtp180 -86.2 103.55 14.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.231 -0.918 . . . . 0.79000000000000004 109.018 -179.728 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.66 104.26 16.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.107 -0.995 . . . . 0.93000000000000005 110.856 -179.077 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -98.2 0.79 46.49 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.478 -0.764 . . . . 2.1000000000000001 109.069 178.708 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.639 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 26.3 t-80 -83.71 -29.11 0.44 Allowed Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.285 -0.885 . . . . 3.25 112.339 -179.129 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 50.2 Cg_exo -51.96 156.04 7.72 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 121.628 1.552 . . . . 1.0 112.125 -178.239 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.3 170.11 14.04 Favored 'Trans proline' 0 N--CA 1.507 2.275 0 C-N-CA 123.418 2.745 . . . . 1.3700000000000001 113.285 -179.315 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.86 28.58 60.57 Favored Glycine 0 N--CA 1.495 2.58 0 N-CA-C 110.153 -1.179 . . . . 1.3 110.153 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 21' ' ' THR . 7.1 t -94.45 89.71 5.95 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.204 -1.174 . . . . 1.05 109.451 179.595 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -83.31 140.63 32.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.455 -0.778 . . . . 2.5899999999999999 108.906 179.043 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -109.13 78.69 1.04 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.749 -0.594 . . . . 2.3199999999999998 109.923 179.76 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -43.1 159.11 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.906 1.737 . . . . 0.85999999999999999 112.57 179.378 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -68.97 -39.82 79.21 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.351 -0.843 . . . . 3.7400000000000002 111.449 -179.531 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -69.93 11.94 0.25 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.652 -1.28 . . . . 0.87 111.489 -178.324 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -92.95 -69.49 0.74 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.828 -1.17 . . . . 1.0600000000000001 112.204 -178.659 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.7 p -87.6 -29.41 21.26 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.94 -1.1 . . . . 0.66000000000000003 110.678 -177.872 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.11 -35.08 79.58 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.989 -1.069 . . . . 2.8199999999999998 109.052 179.035 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.6 m -60.06 -31.0 69.58 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.421 -0.799 . . . . 0.44 109.739 -179.543 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 76.5 mm-40 -68.31 140.28 55.94 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 119.657 -0.817 . . . . 1.3 109.303 -179.841 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -113.16 151.88 44.61 Favored Pre-proline 0 N--CA 1.493 1.717 0 N-CA-C 107.845 -1.168 . . . . 2.0699999999999998 107.845 -179.786 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.38 154.35 30.02 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 121.205 1.27 . . . . 0.47999999999999998 111.261 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.89 133.68 22.34 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.402 -0.811 . . . . 0.27000000000000002 109.972 -179.257 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.526 HG22 ' N ' ' A' ' 36' ' ' CYS . 90.5 m -114.33 162.07 17.08 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.758 0.789 . . . . 0.39000000000000001 109.724 -179.786 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.526 ' N ' HG22 ' A' ' 35' ' ' THR . 2.0 t -104.91 105.21 50.31 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.696 -0.627 . . . . 0.41999999999999998 109.408 -179.53 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.27 -5.2 0.35 Allowed 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.879 1.719 . . . . 0.80000000000000004 113.353 179.641 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.409 HD12 ' CD2' ' A' ' 57' ' ' HIS . 52.8 mt -96.22 -61.36 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 120.643 -1.286 . . . . 0.53000000000000003 109.872 179.813 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.8 p -110.63 17.34 20.78 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.228 -0.92 . . . . 0.46999999999999997 109.62 179.901 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 51.61 24.68 2.43 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.58 -0.7 . . . . 0.66000000000000003 110.654 179.128 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.538 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -61.12 140.44 57.89 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.638 -1.289 . . . . 0.38 107.566 178.317 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 t -95.19 110.8 24.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 121.357 -0.84 . . . . 0.41999999999999998 109.644 -179.537 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 34' ' ' ALA . 46.4 mm -108.99 129.59 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 107.898 -1.149 . . . . 0.26000000000000001 107.898 179.06 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -74.48 -58.8 3.06 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.369 -0.832 . . . . 2.0499999999999998 110.606 -178.639 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.421 ' NE2' ' C8 ' ' B' ' 105' ' ' ' DA' . 93.5 mt-30 -78.71 136.12 37.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.291 -0.88 . . . . 1.22 110.338 -179.03 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 99.8 p -65.89 -38.09 87.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.959 -1.088 . . . . 0.34999999999999998 109.25 179.138 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.432 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -56.69 -39.63 74.14 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.462 -0.94 . . . . 0.85999999999999999 108.462 179.838 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 99.5 m-20 -66.08 -31.4 72.25 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.26 -0.9 . . . . 0.33000000000000002 109.966 179.371 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.2 tp -55.49 -44.84 76.91 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.716 -1.193 . . . . 0.37 108.698 -179.223 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.453 ' HG2' HH11 ' A' ' 50' ' ' ARG . 6.8 mmt-85 -59.73 -41.79 91.7 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 119.355 -0.938 . . . . 3.2400000000000002 108.542 179.363 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -63.23 -39.84 95.74 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.438 0.637 . . . . 0.45000000000000001 109.715 -179.514 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -60.56 -40.06 90.22 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.735 -0.603 . . . . 0.33000000000000002 110.15 -179.267 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.23 -39.95 94.54 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.26 -0.9 . . . . 0.44 110.256 -179.605 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.744 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 85.5 mt-10 -71.81 -25.0 61.82 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.663 -1.273 . . . . 2.0800000000000001 111.736 -179.238 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.4 mt -97.98 -36.7 10.05 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.989 -1.069 . . . . 0.5 113.113 -177.391 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.564 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 25.6 mmm180 -105.44 7.79 33.28 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 120.677 -1.264 . . . . 2.21 111.907 -177.946 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.564 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 85.3 m-70 -153.1 -67.78 0.15 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.148 -1.595 . . . . 0.67000000000000004 110.953 179.36 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.467 ' C ' ' H ' ' A' ' 60' ' ' LYS . 45.9 m-85 -77.57 8.03 4.84 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.507 -1.371 . . . . 0.88 109.924 -179.146 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -69.82 21.04 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.761 -0.587 . . . . 1.0700000000000001 110.512 179.64 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 58' ' ' PHE . 22.2 pttp -84.95 151.08 56.97 Favored Pre-proline 0 N--CA 1.502 2.168 0 O-C-N 121.018 -1.051 . . . . 3.6499999999999999 108.707 179.87 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -48.72 157.9 1.36 Allowed 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.632 1.555 . . . . 2.3300000000000001 112.989 -179.394 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.02 174.44 44.78 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 108.825 -1.71 . . . . 3.27 108.825 179.892 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.498 1.95 0 O-C-N 121.195 -1.18 . . . . 5.1799999999999997 109.707 179.91 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.898 0 O4'-C1'-N19 110.446 3.308 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.481 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.466 0 O4'-C1'-N19 110.473 3.341 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.481 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.907 3.884 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.576 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.029 0 C3'-C2'-C1' 107.042 3.101 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.576 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.439 1 O4'-C1'-N19 111.583 4.729 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.45 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.656 0 C3'-C2'-C1' 107.171 3.194 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.592 ' N3 ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 3.029 1 O4'-C1'-N19 111.108 4.135 . . . . 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.482 " O5'" H2'' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.242 0 O4'-C1'-N19 110.856 3.82 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.582 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.03 0 C3'-C2'-C1' 106.84 2.957 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.582 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.502 3.378 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.411 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.258 1 O4'-C1'-N19 111.086 4.107 . . . . 0.95999999999999996 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.783 0 O4'-C1'-N19 110.829 3.786 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.414 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.235 3.043 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.517 ' C2 ' ' N3 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.74 0 O4'-C1'-N19 110.452 3.315 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.517 ' N3 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.734 0 C3'-C2'-C1' 106.545 2.746 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.829 0 O4'-C1'-N19 110.513 3.391 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.486 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.015 1 O4'-C1'-N19 112.195 5.494 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.486 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.306 4.382 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.432 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 P--O5' 1.612 1.865 0 O4'-C1'-N19 110.85 3.812 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.061 1 O4'-C1'-N19 111.301 4.377 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.455 ' N2 ' ' O2 ' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.452 0 O4'-C1'-N19 110.688 3.61 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 1.555 0 O4'-C1'-N19 110.387 3.234 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo . . . . . 0 N--CA 1.495 1.612 0 CA-C-O 121.3 0.458 . . . . 7.5599999999999996 112.211 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -82.69 129.08 34.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.937 -1.102 . . . . 7.46 109.399 179.74 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.33 141.57 58.53 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.447 -0.945 . . . . 4.04 108.447 -179.851 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -153.89 75.04 1.01 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.135 -0.978 . . . . 4.4900000000000002 109.877 -179.12 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.592 ' NH2' ' N3 ' ' B' ' 107' ' ' ' DA' . 61.3 mtp180 -86.6 98.78 11.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.012 -1.055 . . . . 0.79000000000000004 109.382 179.716 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.43 119.1 32.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.404 -0.81 . . . . 0.93000000000000005 109.597 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -97.87 9.56 42.39 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.027 -1.046 . . . . 2.1000000000000001 109.707 179.663 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.614 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 6.7 t-80 -83.79 -28.49 0.42 Allowed Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 121.196 -0.94 . . . . 3.25 111.759 -178.888 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 80.3 Cg_exo -48.95 155.5 2.61 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.549 1.499 . . . . 1.0 111.829 -179.555 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.2 168.22 16.41 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.471 2.114 . . . . 1.3700000000000001 111.52 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.23 27.18 66.57 Favored Glycine 0 N--CA 1.487 2.093 0 N-CA-C 108.684 -1.767 . . . . 1.3 108.684 -179.555 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 21' ' ' THR . 4.1 t -94.24 91.36 6.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -1.09 . . . . 1.05 108.353 179.543 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -78.07 141.32 38.9 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.095 -0.706 . . . . 2.5899999999999999 109.095 179.819 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -107.67 77.24 0.6 Allowed Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.569 -0.707 . . . . 2.3199999999999998 110.223 -179.61 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -69.91 141.88 45.77 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 121.2 1.267 . . . . 0.85999999999999999 111.255 179.42 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HG2' HH11 ' A' ' 25' ' ' ARG . 23.2 mtt-85 -74.45 -6.85 50.63 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.17 -0.957 . . . . 3.7400000000000002 110.048 -179.377 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 m -69.86 -9.26 54.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.048 -1.032 . . . . 0.87 109.988 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' NH1' ' N7 ' ' B' ' 108' ' ' ' DG' . 28.2 mmt180 -100.42 -24.29 14.53 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.152 -0.968 . . . . 1.0600000000000001 109.261 -179.634 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.5 p -107.68 -31.46 8.06 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.522 -0.736 . . . . 0.66000000000000003 109.456 179.641 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -61.12 -39.89 91.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 2.8199999999999998 109.831 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 m -58.56 -26.16 63.28 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.745 0.783 . . . . 0.44 109.501 -179.472 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.578 ' CD ' HH21 ' A' ' 47' ' ' ARG . 75.7 mm-40 -87.45 137.78 32.04 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.586 -0.696 . . . . 1.3 110.431 -178.878 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.615 ' N ' ' NE2' ' A' ' 32' ' ' GLN . 2.7 mp0 -113.58 150.28 43.0 Favored Pre-proline 0 N--CA 1.501 2.093 0 N-CA-C 107.606 -1.257 . . . . 2.0699999999999998 107.606 178.331 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -50.36 157.03 3.45 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 121.171 1.247 . . . . 0.47999999999999998 111.033 -179.173 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -141.93 137.02 30.99 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.331 -0.856 . . . . 0.27000000000000002 109.171 179.736 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.3 m -117.03 142.78 46.53 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 109.084 -0.71 . . . . 0.39000000000000001 109.084 -179.777 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.9 t -82.63 129.56 62.0 Favored Pre-proline 0 C--N 1.301 -1.533 0 N-CA-C 108.735 -0.839 . . . . 0.41999999999999998 108.735 179.499 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -77.46 -4.74 14.98 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 121.949 1.766 . . . . 0.80000000000000004 112.615 -179.431 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.7 mt -100.32 -54.99 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.356 -0.84 . . . . 0.53000000000000003 110.041 -178.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.635 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.0 p -116.53 22.74 12.55 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.49 -0.756 . . . . 0.46999999999999997 110.829 -179.512 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 49.18 13.66 0.07 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.917 -1.114 . . . . 0.66000000000000003 111.097 178.695 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.635 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -54.39 133.36 45.42 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 106.944 -1.502 . . . . 0.38 106.944 178.601 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 t -92.44 110.09 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.203 -0.936 . . . . 0.41999999999999998 110.114 -177.804 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 34' ' ' ALA . 31.8 mm -105.19 127.9 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 107.764 -1.199 . . . . 0.26000000000000001 107.764 179.165 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.503 ' HG2' HH11 ' A' ' 44' ' ' ARG . 13.8 mtt-85 -74.52 -60.02 2.47 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.863 -1.148 . . . . 2.0499999999999998 110.241 -178.866 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -79.65 137.54 37.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.224 -0.922 . . . . 1.22 109.967 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.1 p -66.3 -33.87 76.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.34999999999999998 109.732 -179.681 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.578 HH21 ' CD ' ' A' ' 31' ' ' GLU . 10.0 ptp180 -57.52 -41.76 81.47 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.123 -0.986 . . . . 0.85999999999999999 109.62 -179.781 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.483 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.2 m-20 -68.65 -25.55 64.88 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 109.009 -0.738 . . . . 0.33000000000000002 109.009 -179.271 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.65 -49.79 76.36 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.974 -1.079 . . . . 0.37 108.624 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -57.9 -42.12 84.05 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.157 -1.423 . . . . 3.2400000000000002 107.157 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -61.68 -36.11 79.93 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.328 0.585 . . . . 0.45000000000000001 109.839 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -65.74 -39.49 91.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.178 -0.951 . . . . 0.33000000000000002 109.696 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.01 -45.05 94.04 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.101 -1.0 . . . . 0.44 110.231 -179.164 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.794 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 89.3 mt-10 -70.91 -24.33 62.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.276 -0.89 . . . . 2.0800000000000001 113.127 -178.712 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 59' ' ' ALA . 83.3 mt -99.85 -34.09 10.28 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.652 -1.28 . . . . 0.5 111.205 -178.19 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.479 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 17.3 mmm180 -104.18 6.61 35.77 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.082 -1.011 . . . . 2.21 112.644 -177.798 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 93.7 m-70 -153.1 -70.37 0.15 Allowed 'General case' 0 N--CA 1.506 2.352 0 O-C-N 119.99 -1.694 . . . . 0.67000000000000004 111.13 -179.644 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -76.83 7.44 4.74 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.848 -1.158 . . . . 0.88 109.198 -179.236 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.794 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -70.05 -14.51 62.71 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.987 -1.071 . . . . 1.0700000000000001 109.659 179.806 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 pttm -90.77 154.67 45.71 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 120.881 -1.137 . . . . 3.6499999999999999 108.887 179.815 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.11 170.22 20.63 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.166 1.911 . . . . 2.3300000000000001 111.942 179.499 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.69 -169.94 35.11 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 108.705 -1.758 . . . . 3.27 108.705 -179.791 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.7 t . . . . . 0 N--CA 1.502 2.133 0 N-CA-C 108.056 -1.09 . . . . 5.1799999999999997 108.056 178.437 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.243 1 O4'-C1'-N19 111.111 4.138 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.552 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.833 0 C3'-C2'-C1' 106.991 3.065 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.552 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.634 0 O4'-C1'-N19 110.717 3.647 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.508 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.767 0 O4'-C1'-N19 110.559 3.449 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.508 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.566 1 O4'-C1'-N19 111.373 4.467 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.474 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.54 0 O4'-C1'-N19 110.417 3.271 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.45 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.249 0 O4'-C1'-N19 110.296 3.12 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.533 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.469 1 O4'-C1'-N19 111.314 4.393 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.638 0 O4'-C1'-N19 110.984 3.98 . . . . 0.87 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.416 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.556 0 C3'-C2'-C1' 107.027 3.091 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.416 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.982 0 O4'-C1'-N19 110.468 3.335 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.419 0 O4'-C1'-N19 110.652 3.565 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.62 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.005 0 O4'-C1'-N19 110.426 3.283 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.62 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.681 1 O4'-C1'-N19 111.012 4.014 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.297 0 C3'-C2'-C1' 106.877 2.983 . . . . 0.53000000000000003 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.564 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.688 1 O4'-C1'-N19 111.012 4.015 . . . . 0.5 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.564 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.545 4.291 1 O4'-C1'-N19 111.851 5.064 . . . . 1.95 . . . . . . . . . . 3 2 . 1 . 033 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.4 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.633 1 O4'-C1'-N19 111.597 4.747 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.4 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.444 1 O4'-C1'-N19 111.019 4.024 . . . . 0.64000000000000001 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.587 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.441 1 O4'-C1'-N19 111.263 4.329 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.587 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.298 0 O4'-C1'-N19 110.988 3.985 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.42 3.276 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo . . . . . 0 N--CA 1.493 1.461 0 CA-C-O 121.072 0.364 . . . . 7.5599999999999996 111.79 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -76.49 153.35 35.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.047 -1.033 . . . . 7.46 109.261 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.3 178.34 1.98 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.35 -0.844 . . . . 4.04 109.098 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -143.99 -51.31 0.31 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.171 -0.955 . . . . 4.4900000000000002 109.502 179.852 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -88.44 91.65 8.88 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.47 -1.393 . . . . 0.79000000000000004 109.625 179.849 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.03 107.96 20.59 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.395 -0.816 . . . . 0.93000000000000005 109.863 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -96.51 8.15 44.8 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.299 -0.875 . . . . 2.1000000000000001 109.697 179.246 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.632 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 35.7 t-80 -83.96 -31.49 0.49 Allowed Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.19 -0.944 . . . . 3.25 112.233 -178.832 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 78.3 Cg_exo -47.06 155.91 0.85 Allowed 'Trans proline' 0 N--CA 1.503 2.083 0 C-N-CA 122.909 2.406 . . . . 1.0 113.234 -179.078 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -68.09 162.93 37.93 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 123.093 2.528 . . . . 1.3700000000000001 112.743 -178.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.96 12.72 83.84 Favored Glycine 0 N--CA 1.484 1.865 0 N-CA-C 109.16 -1.576 . . . . 1.3 109.16 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 21' ' ' THR . 10.0 t -89.89 90.26 8.1 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.463 -1.022 . . . . 1.05 108.507 179.738 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -82.57 142.51 31.73 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.065 -1.022 . . . . 2.5899999999999999 109.132 -179.522 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -89.12 111.12 43.15 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.347 -0.846 . . . . 2.3199999999999998 109.766 -179.862 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -82.58 134.53 7.6 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.933 1.755 . . . . 0.85999999999999999 111.077 179.201 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -69.07 -18.15 63.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.134 -0.979 . . . . 3.7400000000000002 111.136 -178.729 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -71.3 -5.36 31.7 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.903 -1.123 . . . . 0.87 110.668 -178.441 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.533 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 13.3 mmt-85 -102.56 -26.24 13.3 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.046 -1.034 . . . . 1.0600000000000001 110.622 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.3 p -101.94 -39.48 7.33 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 120.96 -1.088 . . . . 0.66000000000000003 110.669 -178.826 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -63.6 -31.15 72.23 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.829 -1.169 . . . . 2.8199999999999998 109.315 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.6 m -55.89 -35.64 66.76 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.455 -0.778 . . . . 0.44 109.23 179.895 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -89.89 143.36 26.86 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.286 -0.884 . . . . 1.3 110.387 -179.38 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -117.16 154.66 50.05 Favored Pre-proline 0 N--CA 1.498 1.968 0 N-CA-C 108.112 -1.07 . . . . 2.0699999999999998 108.112 179.164 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -44.22 153.0 0.35 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.922 1.748 . . . . 0.47999999999999998 112.281 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.44 133.84 23.22 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.197 -0.939 . . . . 0.27000000000000002 110.685 -179.253 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 36' ' ' CYS . 63.7 m -114.22 162.42 16.57 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.576 -0.702 . . . . 0.39000000000000001 109.501 179.174 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.512 ' N ' HG22 ' A' ' 35' ' ' THR . 6.7 t -105.89 105.81 54.56 Favored Pre-proline 0 N--CA 1.5 2.064 0 O-C-N 121.23 -0.919 . . . . 0.41999999999999998 109.968 -179.674 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.56 -7.5 0.87 Allowed 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.223 1.949 . . . . 0.80000000000000004 113.158 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.452 HD12 ' CD2' ' A' ' 57' ' ' HIS . 53.0 mt -95.71 -63.53 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.93 -1.106 . . . . 0.53000000000000003 110.116 -178.889 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.578 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.7 p -108.0 14.37 25.29 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.157 -0.965 . . . . 0.46999999999999997 109.636 -179.892 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 55.38 19.93 3.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.495 -0.753 . . . . 0.66000000000000003 110.801 179.48 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.578 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.82 138.3 57.83 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.683 -1.261 . . . . 0.38 107.731 178.677 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.4 t -94.27 113.88 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.144 -0.972 . . . . 0.41999999999999998 109.361 -179.467 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' ALA . 24.4 mm -110.33 126.15 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 107.749 -1.204 . . . . 0.26000000000000001 107.749 179.066 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.577 ' HG2' HH11 ' A' ' 44' ' ' ARG . 6.4 mtt-85 -74.22 -60.44 2.26 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.843 -1.161 . . . . 2.0499999999999998 109.826 -179.348 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.461 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 96.5 mt-30 -76.97 132.3 38.94 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.856 -1.152 . . . . 1.22 109.495 179.579 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.6 p -64.58 -40.42 95.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 0.34999999999999998 110.377 -179.423 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.0 ptp180 -54.32 -42.18 69.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.74 -1.225 . . . . 0.85999999999999999 108.753 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.473 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 99.1 m-20 -60.16 -31.98 70.62 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.811 -0.756 . . . . 0.33000000000000002 109.443 179.296 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.1 tp -57.32 -44.45 84.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.007 -1.058 . . . . 0.37 108.841 -179.645 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -59.69 -39.8 85.77 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.93 -1.137 . . . . 3.2400000000000002 107.93 179.304 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -64.12 -37.55 87.86 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 109.031 -0.729 . . . . 0.45000000000000001 109.031 178.967 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -64.19 -44.59 91.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.679 -0.638 . . . . 0.33000000000000002 110.318 -179.48 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 58' ' ' PHE . 91.6 mt -55.42 -43.3 75.19 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.876 -1.14 . . . . 0.44 110.096 -179.773 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.627 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 41.3 mt-10 -71.31 -28.77 64.34 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.404 -0.81 . . . . 2.0800000000000001 111.787 -179.257 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -87.7 -40.44 14.13 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.612 -1.305 . . . . 0.5 112.412 -177.842 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.54 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 19.9 mmm180 -106.09 1.0 25.96 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.843 -1.161 . . . . 2.21 113.392 -176.691 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 72.3 m-70 -148.23 -65.18 0.25 Allowed 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.146 -1.597 . . . . 0.67000000000000004 111.41 -178.55 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' LEU . 35.1 m-85 -79.96 17.5 0.96 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.381 -0.825 . . . . 0.88 110.556 -178.547 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -69.61 -6.0 28.36 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.118 -0.988 . . . . 1.0700000000000001 108.756 179.783 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -91.57 150.05 40.42 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 121.463 -0.773 . . . . 3.6499999999999999 108.918 179.283 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.42 150.39 88.67 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.252 1.968 . . . . 2.3300000000000001 111.564 179.794 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -175.77 -60.52 0.06 OUTLIER Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.806 -1.318 . . . . 3.27 109.806 -179.661 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.496 1.852 0 O-C-N 121.216 -1.167 . . . . 5.1799999999999997 108.753 179.557 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.603 HO5' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.449 3.311 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.649 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.568 0 O4'-C1'-N19 110.456 3.32 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.649 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.77 0 O4'-C1'-N19 110.377 3.221 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.986 0 O4'-C1'-N19 110.453 3.317 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.813 5.016 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.533 ' N2 ' ' C2 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.493 0 O4'-C1'-N19 110.338 3.172 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.463 H2'' " O5'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.124 0 C3'-C2'-C1' 107.141 3.172 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.503 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.792 1 O4'-C1'-N19 111.316 4.396 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.618 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.545 0 O4'-C1'-N19 110.397 3.247 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.618 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.136 0 O4'-C1'-N19 110.522 3.403 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.369 1 O4'-C1'-N19 111.161 4.201 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.104 0 O4'-C1'-N19 110.98 3.974 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 0 C3'-C2'-C1' 107.052 3.109 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.422 1 O4'-C1'-N19 111.073 4.091 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.684 0 O4'-C1'-N19 110.523 3.404 . . . . 0.53000000000000003 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.492 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.538 0 O4'-C1'-N19 110.71 3.638 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.501 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.073 0 O4'-C1'-N19 110.953 3.941 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.533 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.507 1 O4'-C1'-N19 111.489 4.612 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.475 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.699 3.624 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.412 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.734 1 O4'-C1'-N19 111.691 4.864 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.53 3.412 . . . . 0.73999999999999999 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 C3'-C2'-C1' 107.023 3.088 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo . . . . . 0 N--CA 1.491 1.38 0 CA-C-O 121.652 0.605 . . . . 7.5599999999999996 112.372 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -80.33 -75.21 0.27 Allowed 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.469 -0.77 . . . . 7.46 109.032 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.45 10.25 0.15 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.77 -1.206 . . . . 4.04 110.808 179.668 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.45 127.65 34.14 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.753 -1.217 . . . . 4.4900000000000002 109.233 179.166 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -89.15 97.54 11.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.543 -0.723 . . . . 0.79000000000000004 109.395 -179.807 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.59 121.33 36.04 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.146 -0.971 . . . . 0.93000000000000005 110.698 -179.586 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -89.1 17.93 5.44 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.209 -0.932 . . . . 2.1000000000000001 109.086 178.475 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.61 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.3 t-80 -79.23 -29.86 0.62 Allowed Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.306 -0.871 . . . . 3.25 112.913 -177.755 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.0 Cg_exo -54.4 147.01 48.82 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.563 1.509 . . . . 1.0 112.457 -179.048 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.83 166.62 26.66 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.345 2.03 . . . . 1.3700000000000001 112.543 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.62 34.52 53.61 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.362 -1.095 . . . . 1.3 110.362 179.422 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 21' ' ' THR . 9.7 t -89.42 93.96 9.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.132 -1.216 . . . . 1.05 109.13 -179.916 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -81.3 154.32 26.61 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.248 -0.907 . . . . 2.5899999999999999 108.659 179.713 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -106.6 98.18 19.54 Favored Pre-proline 0 N--CA 1.503 2.221 0 O-C-N 121.498 -0.751 . . . . 2.3199999999999998 110.362 -179.461 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -70.67 138.66 35.42 Favored 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 120.938 1.092 . . . . 0.85999999999999999 110.996 178.33 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -67.9 -21.27 65.15 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.421 -0.8 . . . . 3.7400000000000002 109.858 179.89 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.8 m -70.65 -1.64 11.9 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.138 -0.976 . . . . 0.87 111.595 -178.933 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.503 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 29.0 mmt180 -104.42 -25.77 12.69 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.762 -1.212 . . . . 1.0600000000000001 109.429 -179.68 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 p -104.96 -30.86 9.53 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.446 -0.784 . . . . 0.66000000000000003 109.519 -179.868 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -59.85 -40.64 89.23 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.324 -0.86 . . . . 2.8199999999999998 109.866 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.9 m -59.59 -23.25 62.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.287 -0.883 . . . . 0.44 109.501 179.867 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -92.14 137.13 32.62 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.33 -0.856 . . . . 1.3 109.796 -179.625 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -125.93 151.47 71.39 Favored Pre-proline 0 N--CA 1.502 2.134 0 N-CA-C 108.486 -0.931 . . . . 2.0699999999999998 108.486 179.402 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -41.72 149.61 0.24 Allowed 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.317 1.345 . . . . 0.47999999999999998 112.515 -179.071 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -143.66 133.5 23.94 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.422 -0.799 . . . . 0.27000000000000002 110.522 -179.872 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.53 HG22 ' N ' ' A' ' 36' ' ' CYS . 78.5 m -111.96 161.93 15.89 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.516 -0.74 . . . . 0.39000000000000001 109.774 179.559 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.53 ' N ' HG22 ' A' ' 35' ' ' THR . 4.1 t -104.59 104.69 46.73 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 121.753 -0.592 . . . . 0.41999999999999998 109.798 179.601 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.08 -5.37 0.52 Allowed 'Trans proline' 0 N--CA 1.5 1.863 0 C-N-CA 121.873 1.715 . . . . 0.80000000000000004 113.021 179.469 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 38' ' ' ILE . 7.0 mt -96.17 -61.63 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 120.798 -1.189 . . . . 0.53000000000000003 109.808 -179.459 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 18.0 p -109.94 16.55 21.87 Favored 'General case' 0 N--CA 1.507 2.379 0 O-C-N 121.296 -0.878 . . . . 0.46999999999999997 109.221 179.292 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 53.26 17.24 0.97 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.58 -0.7 . . . . 0.66000000000000003 111.029 179.099 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.666 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.3 140.19 53.84 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.885 -1.134 . . . . 0.38 108.21 179.342 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.2 t -93.48 111.83 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.184 -0.947 . . . . 0.41999999999999998 110.19 -178.311 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 34' ' ' ALA . 23.4 mm -109.1 132.3 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 107.567 -1.272 . . . . 0.26000000000000001 107.567 178.895 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -74.36 -65.31 0.87 Allowed 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 118.84 -1.144 . . . . 2.0499999999999998 109.977 -178.899 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.67 ' NE2' HH21 ' A' ' 47' ' ' ARG . 81.8 mt-30 -78.93 139.58 38.24 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.231 -0.918 . . . . 1.22 111.042 -178.75 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.4 p -66.73 -39.96 88.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.524 -0.735 . . . . 0.34999999999999998 109.867 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.67 HH21 ' NE2' ' A' ' 45' ' ' GLN . 27.3 ptt180 -54.66 -39.29 67.89 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.031 -1.043 . . . . 0.85999999999999999 109.167 -179.785 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -70.01 -27.35 64.61 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.072 -1.017 . . . . 0.33000000000000002 109.465 179.323 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.45 -47.09 85.13 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.135 -0.978 . . . . 0.37 109.2 -179.709 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.9 ttm-85 -59.89 -40.2 87.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.513 -1.367 . . . . 3.2400000000000002 107.894 179.184 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -63.01 -37.15 86.02 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.551 -0.718 . . . . 0.45000000000000001 109.625 179.645 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -61.64 -38.28 87.13 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.495 -0.753 . . . . 0.33000000000000002 109.515 179.614 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.78 -44.14 94.03 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.303 -0.873 . . . . 0.44 110.334 -179.589 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.681 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 94.4 mt-10 -75.18 -20.46 59.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.275 -0.891 . . . . 2.0800000000000001 112.172 -178.614 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -97.41 -39.42 9.19 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.795 -1.191 . . . . 0.5 111.48 -179.165 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -105.66 12.52 31.0 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.085 -1.009 . . . . 2.21 112.415 -177.361 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -151.03 -71.94 0.17 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.247 -1.533 . . . . 0.67000000000000004 111.429 179.821 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -79.94 10.76 3.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.194 -0.941 . . . . 0.88 109.585 -178.317 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.75 -5.82 36.87 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.497 -0.752 . . . . 1.0700000000000001 109.238 179.508 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -90.16 133.02 34.25 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.303 -0.873 . . . . 3.6499999999999999 109.763 -179.253 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.15 140.43 31.0 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 121.939 1.759 . . . . 2.3300000000000001 111.651 179.901 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.52 131.85 17.25 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.065 -1.614 . . . . 3.27 109.065 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 117.813 -1.089 . . . . 5.1799999999999997 108.852 179.849 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.58 0 O4'-C1'-N19 110.491 3.364 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.489 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.956 0 O4'-C1'-N19 110.944 3.93 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.489 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.343 0 O4'-C1'-N19 110.343 3.179 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.469 ' O6 ' ' NH1' ' A' ' 51' ' ' ARG . . . . . . . . 0 C5'--C4' 1.524 1.636 1 O4'-C1'-N19 111.504 4.63 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.555 3.444 . . . . 0.40999999999999998 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.55 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.464 0 O4'-C1'-N19 110.632 3.54 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.561 ' N7 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.635 0 O4'-C1'-N19 110.63 3.537 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.587 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.497 0 O4'-C1'-N19 110.847 3.809 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.587 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.713 3.642 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 0 C3'-C2'-C1' 106.83 2.95 . . . . 0.85999999999999999 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.368 1 O4'-C1'-N19 111.514 4.643 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.133 0 O4'-C1'-N19 110.671 3.589 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.754 0 O4'-C1'-N19 110.793 3.741 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.439 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.755 1 O4'-C1'-N19 111.25 4.313 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.439 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.478 0 O4'-C1'-N19 110.399 3.248 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.722 ' OP2' ' H71' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.717 0 O4'-C1'-N19 110.464 3.33 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.513 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.767 1 O4'-C1'-N19 111.396 4.495 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.475 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.634 1 O4'-C1'-N19 111.958 5.197 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.311 1 O4'-C1'-N19 111.135 4.168 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.224 1 O4'-C1'-N19 111.033 4.041 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.942 1 O4'-C1'-N19 111.119 4.149 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.229 0 O4'-C1'-N19 110.262 3.078 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo . . . . . 0 N--CA 1.492 1.384 0 CA-C-O 121.248 0.437 . . . . 7.5599999999999996 112.12 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' H ' ' HD2' ' A' ' 11' ' ' LYS . 9.2 mptt -79.18 132.32 36.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.43 -0.794 . . . . 7.46 109.075 179.85 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.0 -79.01 0.06 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.088 -1.007 . . . . 4.04 110.792 -179.396 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -82.84 152.02 25.8 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.09 -1.006 . . . . 4.4900000000000002 109.242 -179.389 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -84.91 103.81 14.29 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.911 -1.118 . . . . 0.79000000000000004 109.14 179.426 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.74 132.69 40.68 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.014 -1.054 . . . . 0.93000000000000005 110.589 -179.821 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -95.36 1.66 54.37 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.548 -0.72 . . . . 2.1000000000000001 109.58 178.008 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.632 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 89.4 m-70 -81.99 -28.15 0.45 Allowed Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.336 -0.852 . . . . 3.25 112.542 -178.303 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 75.9 Cg_exo -51.78 151.82 14.47 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 121.887 1.725 . . . . 1.0 113.024 -178.912 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -70.6 166.25 29.25 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.949 2.433 . . . . 1.3700000000000001 112.464 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.62 35.2 59.3 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 110.032 -1.227 . . . . 1.3 110.032 -179.795 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 21' ' ' THR . 9.8 t -92.08 89.71 7.06 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.107 -1.231 . . . . 1.05 108.491 179.803 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -81.39 140.1 34.9 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.091 -1.005 . . . . 2.5899999999999999 109.617 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -105.06 72.24 0.22 Allowed Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 121.377 -0.827 . . . . 2.3199999999999998 110.544 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.06 145.02 59.85 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.048 1.832 . . . . 0.85999999999999999 111.925 179.587 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.505 ' HG2' HH11 ' A' ' 25' ' ' ARG . 11.5 mmt-85 -72.99 -3.51 26.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.974 -1.079 . . . . 3.7400000000000002 109.668 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -71.04 -13.41 61.98 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.684 -1.26 . . . . 0.87 109.822 -179.501 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.561 ' NE ' ' N7 ' ' B' ' 107' ' ' ' DA' . 7.4 mmt-85 -98.52 -20.94 16.78 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.269 -0.894 . . . . 1.0600000000000001 110.324 179.563 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.0 p -109.42 -38.15 5.54 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.242 -0.911 . . . . 0.66000000000000003 109.601 -179.649 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -59.04 -38.05 78.44 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.872 -1.143 . . . . 2.8199999999999998 109.337 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 m -59.11 -28.26 66.36 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.114 -0.991 . . . . 0.44 109.051 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -88.57 136.03 33.2 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.389 -0.819 . . . . 1.3 108.813 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -116.46 150.93 46.32 Favored Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 109.113 -0.699 . . . . 2.0699999999999998 109.113 -179.369 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -40.09 155.13 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.074 1.849 . . . . 0.47999999999999998 112.473 -179.703 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.532 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -147.87 135.42 20.77 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.124 -0.985 . . . . 0.27000000000000002 111.483 -178.793 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.3 m -117.42 145.45 44.11 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-O 121.682 0.753 . . . . 0.39000000000000001 110.091 179.174 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.0 t -85.83 122.3 72.96 Favored Pre-proline 0 N--CA 1.493 1.676 0 N-CA-C 108.36 -0.978 . . . . 0.41999999999999998 108.36 178.974 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -77.83 1.73 8.58 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.586 1.524 . . . . 0.80000000000000004 111.653 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.4 mt -99.26 -51.76 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.454 -0.779 . . . . 0.53000000000000003 109.813 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.5 p -121.73 14.85 10.96 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.43 -0.794 . . . . 0.46999999999999997 109.934 -179.749 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 56.15 15.79 2.0 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.526 -0.734 . . . . 0.66000000000000003 111.143 179.092 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.633 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.14 134.87 56.86 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.321 -1.363 . . . . 0.38 107.321 177.872 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.7 t -95.58 114.45 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 120.693 -1.254 . . . . 0.41999999999999998 110.526 -179.325 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.7 mm -110.53 134.65 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 106.606 -1.627 . . . . 0.26000000000000001 106.606 177.817 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -74.9 -59.68 2.63 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 120.482 -1.386 . . . . 2.0499999999999998 111.57 -177.567 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.564 ' OE1' ' NH1' ' A' ' 47' ' ' ARG . 82.6 mt-30 -79.91 137.75 36.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.387 -0.821 . . . . 1.22 110.723 -178.385 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.5 p -65.95 -39.45 90.45 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.293 -0.879 . . . . 0.34999999999999998 110.535 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.714 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -61.91 -36.54 81.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.208 -1.557 . . . . 0.85999999999999999 108.809 179.21 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.465 ' ND2' HH12 ' A' ' 47' ' ' ARG . 98.6 m-20 -66.23 -31.66 72.62 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.034 -1.041 . . . . 0.33000000000000002 108.679 178.612 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.532 HD22 ' HB1' ' A' ' 34' ' ' ALA . 61.8 tp -60.02 -40.3 88.83 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.153 -0.967 . . . . 0.37 109.76 -179.628 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.492 ' HG2' HH11 ' A' ' 50' ' ' ARG . 8.3 mtt-85 -59.14 -40.7 86.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.989 -1.069 . . . . 3.2400000000000002 108.167 -179.649 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' NH1' ' O6 ' ' B' ' 104' ' ' ' DG' . 45.4 ttp180 -60.55 -40.26 90.92 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.445 0.641 . . . . 0.45000000000000001 109.842 179.528 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -61.83 -34.91 76.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.472 -0.768 . . . . 0.33000000000000002 109.517 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.35 -45.04 94.87 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.959 -1.088 . . . . 0.44 109.489 179.766 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.789 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 46.6 mt-10 -77.17 -16.14 59.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.855 -1.153 . . . . 2.0800000000000001 112.839 -178.168 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.8 mt -99.28 -40.88 7.71 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.333 -1.48 . . . . 0.5 111.679 -178.641 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.463 HH11 ' HG3' ' A' ' 56' ' ' ARG . 20.5 mmm-85 -105.06 15.44 27.6 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.986 -1.071 . . . . 2.21 112.231 -178.327 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.407 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.9 m-70 -150.68 -73.68 0.16 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.398 -1.439 . . . . 0.67000000000000004 111.212 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' C ' ' H ' ' A' ' 60' ' ' LYS . 92.2 m-85 -80.23 8.84 6.55 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.756 -1.215 . . . . 0.88 110.094 -178.768 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.789 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.44 17.86 0.08 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.218 -0.926 . . . . 1.0700000000000001 110.372 -179.326 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 58' ' ' PHE . 59.7 mttm -84.7 152.97 60.75 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 120.959 -1.088 . . . . 3.6499999999999999 109.333 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -48.46 154.42 2.71 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.709 1.606 . . . . 2.3300000000000001 112.314 -179.773 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.6 -119.08 0.6 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.305 -1.518 . . . . 3.27 109.305 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.493 1.686 0 O-C-N 121.44 -1.035 . . . . 5.1799999999999997 109.289 179.69 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.604 3.505 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.487 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.662 0 C3'-C2'-C1' 106.812 2.937 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.487 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.355 0 O4'-C1'-N19 110.48 3.35 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.222 4.277 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.498 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.536 3.165 1 O4'-C1'-N19 111.928 5.16 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.059 0 O4'-C1'-N19 110.686 3.607 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.561 0 O4'-C1'-N19 110.221 3.026 . . . . 0.69999999999999996 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.476 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.951 0 O4'-C1'-N19 110.779 3.724 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.528 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.923 0 O4'-C1'-N19 110.781 3.726 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.528 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.247 0 C3'-C2'-C1' 107.32 3.3 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.593 0 O4'-C1'-N19 110.776 3.721 . . . . 0.95999999999999996 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.664 0 O4'-C1'-N19 110.534 3.417 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.498 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.525 3.406 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.498 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.444 1 O4'-C1'-N19 111.362 4.452 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.695 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.001 0 O4'-C1'-N19 110.853 3.816 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.695 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.736 0 O4'-C1'-N19 110.912 3.89 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.453 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.13 1 O4'-C1'-N19 111.385 4.481 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.469 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.299 4.374 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.469 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.983 0 O4'-C1'-N19 110.678 3.598 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.506 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.148 0 O4'-C1'-N19 110.859 3.823 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.506 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.013 0 O4'-C1'-N19 110.533 3.416 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 0 C3'-C2'-C1' 107.019 3.085 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 N--CA 1.496 1.632 0 CA-C-O 121.246 0.436 . . . . 7.5599999999999996 112.03 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -80.83 125.08 29.65 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.259 -0.901 . . . . 7.46 109.623 179.764 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.65 -139.39 0.07 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.219 -0.925 . . . . 4.04 109.758 -179.941 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -169.12 1.7 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.38 -0.825 . . . . 4.4900000000000002 108.797 -179.753 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -79.09 107.65 12.01 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.396 -0.815 . . . . 0.79000000000000004 109.405 -179.235 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.05 131.17 44.69 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.641 -0.662 . . . . 0.93000000000000005 110.344 -179.749 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -91.59 12.84 19.67 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.41 -0.806 . . . . 2.1000000000000001 109.204 178.662 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 64.4 t-80 -77.04 -31.83 0.92 Allowed Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.156 -0.965 . . . . 3.25 111.765 -178.869 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 32.5 Cg_exo -57.19 151.29 52.3 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 121.698 1.598 . . . . 1.0 112.113 -178.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.07 177.99 7.09 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.514 2.143 . . . . 1.3700000000000001 112.654 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.33 22.75 67.05 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.56 -1.016 . . . . 1.3 110.56 179.269 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -92.53 83.62 4.96 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.82 -1.4 . . . . 1.05 109.675 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.3 mp0 -83.02 167.7 17.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.458 -0.776 . . . . 2.5899999999999999 109.023 179.375 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -105.26 73.17 0.24 Allowed Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 121.145 -0.972 . . . . 2.3199999999999998 110.259 179.561 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -72.51 134.13 21.89 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.744 1.63 . . . . 0.85999999999999999 111.522 179.298 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HG2' HH11 ' A' ' 25' ' ' ARG . 33.5 mtt-85 -72.8 -9.52 58.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.197 -0.94 . . . . 3.7400000000000002 109.518 -179.957 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.1 m -68.94 -4.72 17.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.945 -1.097 . . . . 0.87 109.907 -179.873 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.465 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 29.4 mmt180 -106.96 -29.93 9.15 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.286 -0.884 . . . . 1.0600000000000001 108.859 179.674 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.5 p -101.32 -29.98 11.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.37 -0.831 . . . . 0.66000000000000003 109.375 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.85 -38.78 89.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.929 -1.107 . . . . 2.8199999999999998 108.669 179.356 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.1 m -59.71 -28.02 66.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.397 -0.815 . . . . 0.44 109.619 179.279 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.533 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 79.7 mm-40 -92.78 134.29 35.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.072 -1.017 . . . . 1.3 109.921 -178.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -114.6 155.91 45.44 Favored Pre-proline 0 N--CA 1.501 2.106 0 N-CA-C 109.382 -0.599 . . . . 2.0699999999999998 109.382 -179.5 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -49.01 150.84 6.37 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 C-N-CA 121.708 1.605 . . . . 0.47999999999999998 111.777 179.475 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -142.46 135.1 28.11 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.228 -0.92 . . . . 0.27000000000000002 110.133 -179.508 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.7 m -114.87 138.21 51.06 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.489 -0.757 . . . . 0.39000000000000001 109.922 179.728 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.78 133.02 73.66 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.406 -0.809 . . . . 0.41999999999999998 109.051 179.132 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -78.72 -7.85 15.71 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 121.525 1.483 . . . . 0.80000000000000004 112.735 179.721 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.6 mt -99.06 -54.7 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.087 -1.008 . . . . 0.53000000000000003 111.107 -178.928 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.2 p -115.95 21.65 13.62 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.285 -0.885 . . . . 0.46999999999999997 110.44 -179.386 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 48.61 18.89 0.2 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.272 -0.892 . . . . 0.66000000000000003 112.136 178.522 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.491 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.18 132.77 54.56 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 107.544 -1.28 . . . . 0.38 107.544 178.336 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.18 112.2 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.995 -1.066 . . . . 0.41999999999999998 109.573 -179.154 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 34' ' ' ALA . 9.4 mm -109.96 129.58 64.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 107.971 -1.122 . . . . 0.26000000000000001 107.971 179.209 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.45 ' HG2' HH11 ' A' ' 44' ' ' ARG . 37.9 mtt-85 -72.66 -57.66 3.95 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.305 -0.872 . . . . 2.0499999999999998 111.248 -178.642 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.498 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 87.0 mt-30 -79.84 131.42 35.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.057 -1.027 . . . . 1.22 111.065 -179.077 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.6 p -64.76 -34.49 78.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.453 -0.78 . . . . 0.34999999999999998 109.309 179.187 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.588 ' NH1' ' H73' ' C' ' 116' ' ' ' DT' . 0.0 OUTLIER -60.84 -30.68 70.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.771 -1.206 . . . . 0.85999999999999999 107.948 178.762 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -77.47 -25.18 50.27 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.673 -0.862 . . . . 0.33000000000000002 108.673 179.299 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.07 -51.99 67.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.249 -0.907 . . . . 0.37 109.199 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -61.35 -37.67 84.17 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.572 -1.33 . . . . 3.2400000000000002 108.469 179.518 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -61.46 -39.56 91.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.232 -0.918 . . . . 0.45000000000000001 109.014 178.94 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -60.44 -38.37 83.92 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.571 -0.705 . . . . 0.33000000000000002 109.656 179.582 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.2 mt -58.48 -41.0 84.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.142 -0.974 . . . . 0.44 110.107 -179.942 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.685 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 72.0 mm-40 -74.3 -17.09 60.9 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.057 -1.027 . . . . 2.0800000000000001 111.641 -179.232 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.7 mt -100.63 -39.51 7.84 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.793 -1.192 . . . . 0.5 112.48 -178.32 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.531 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.1 mmm-85 -109.52 14.65 23.41 Favored 'General case' 0 N--CA 1.51 2.53 0 O-C-N 120.878 -1.139 . . . . 2.21 112.349 -177.423 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 93.7 m-70 -154.63 -69.74 0.13 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.304 -1.498 . . . . 0.67000000000000004 110.378 -179.835 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -81.66 11.25 4.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.407 -0.808 . . . . 0.88 110.116 -179.56 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -70.57 6.84 1.26 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.367 -0.833 . . . . 1.0700000000000001 110.267 -179.457 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -89.16 153.25 48.83 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 120.887 -1.133 . . . . 3.6499999999999999 109.149 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -47.24 129.56 15.91 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 121.896 1.731 . . . . 2.3300000000000001 112.41 179.661 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.71 135.08 16.28 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.73 -1.348 . . . . 3.27 109.73 179.661 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.497 1.9 0 O-C-N 121.455 -1.027 . . . . 5.1799999999999997 108.919 179.398 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 0 O4'-C1'-N19 110.548 3.435 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.796 0 O4'-C1'-N19 110.583 3.478 . . . . 0.77000000000000002 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.152 1 O4'-C1'-N19 111.314 4.392 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.56 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.886 0 O4'-C1'-N19 110.862 3.828 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.56 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.803 1 O4'-C1'-N19 111.399 4.499 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.482 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.699 0 C3'-C2'-C1' 107.079 3.128 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.471 ' H2 ' ' O2 ' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.897 0 O4'-C1'-N19 110.914 3.893 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.502 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.044 4.055 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.511 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.903 0 O4'-C1'-N19 110.92 3.9 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.6 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.784 0 C3'-C2'-C1' 107.022 3.087 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.6 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.689 0 O4'-C1'-N19 110.934 3.918 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 1 O4'-C1'-N19 111.057 4.071 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.445 ' H71' ' OP2' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.898 0 O4'-C1'-N19 110.209 3.011 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.452 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-N19 110.869 3.836 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.452 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.634 0 C3'-C2'-C1' 106.815 2.939 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.574 ' H73' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.528 0 C3'-C2'-C1' 107.041 3.101 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.471 ' O2 ' ' H2 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.927 1 O4'-C1'-N19 111.251 4.314 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.439 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.889 1 O4'-C1'-N19 111.473 4.591 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.459 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.475 0 O4'-C1'-N19 110.945 3.932 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.495 ' C2 ' ' C5 ' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 111.536 4.67 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.495 ' C5 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.748 0 O4'-C1'-N19 110.707 3.634 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.135 0 C3'-C2'-C1' 106.931 3.022 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 N--CA 1.494 1.508 0 CA-C-O 121.342 0.476 . . . . 7.5599999999999996 112.185 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -155.16 149.35 25.92 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.268 -0.895 . . . . 7.46 108.956 -179.741 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.06 -139.42 0.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.803 -1.186 . . . . 4.04 109.878 179.638 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -156.59 172.99 17.59 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.925 -0.769 . . . . 4.4900000000000002 108.925 179.657 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -87.04 102.87 14.83 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.044 -1.035 . . . . 0.79000000000000004 110.274 -179.387 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.15 119.47 35.71 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.198 -0.939 . . . . 0.93000000000000005 110.532 179.761 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -91.99 9.86 31.41 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.29 -0.882 . . . . 2.1000000000000001 109.255 178.441 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.62 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.7 t60 -81.98 -27.95 0.45 Allowed Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.131 -0.981 . . . . 3.25 113.214 -177.475 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 70.1 Cg_exo -52.17 148.99 22.99 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.665 1.577 . . . . 1.0 111.979 -179.165 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.15 166.76 27.22 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.019 1.812 . . . . 1.3700000000000001 112.574 -179.512 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.91 30.49 63.41 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 109.352 -1.499 . . . . 1.3 109.352 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 21' ' ' THR . 9.8 t -85.96 98.95 11.1 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.028 -1.278 . . . . 1.05 108.907 -179.854 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -81.91 148.95 28.48 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.771 -0.825 . . . . 2.5899999999999999 108.771 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -101.32 85.97 0.68 Allowed Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 121.136 -0.978 . . . . 2.3199999999999998 109.557 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.96 136.79 58.76 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.339 1.36 . . . . 0.85999999999999999 111.876 -179.182 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -75.16 -11.24 60.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.7 -0.625 . . . . 3.7400000000000002 111.897 -178.486 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -69.64 -4.55 19.89 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.23 -1.544 . . . . 0.87 109.251 -179.467 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.502 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 19.1 mmt180 -97.65 -21.89 16.77 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.472 -0.767 . . . . 1.0600000000000001 109.994 -179.274 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.5 p -109.15 -33.6 6.83 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.139 -0.976 . . . . 0.66000000000000003 110.255 -179.435 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -66.91 -30.91 71.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.854 -1.154 . . . . 2.8199999999999998 108.715 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.4 m -67.14 -28.65 68.31 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.143 -0.973 . . . . 0.44 108.536 178.855 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.526 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 64.5 mm-40 -95.68 139.96 31.17 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.367 -0.833 . . . . 1.3 109.533 179.555 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -119.81 154.09 54.96 Favored Pre-proline 0 N--CA 1.498 1.935 0 N-CA-C 107.863 -1.162 . . . . 2.0699999999999998 107.863 178.843 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -43.67 154.31 0.22 Allowed 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 121.713 1.609 . . . . 0.47999999999999998 112.253 -179.715 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.03 142.48 29.8 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.247 -0.908 . . . . 0.27000000000000002 110.299 179.694 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.7 m -117.42 149.32 40.74 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.548 -0.72 . . . . 0.39000000000000001 109.645 179.361 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.6 t -86.47 129.88 51.47 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 121.225 -0.922 . . . . 0.41999999999999998 108.644 178.909 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.23 -3.81 13.74 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.82 1.68 . . . . 0.80000000000000004 112.477 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.7 mt -101.31 -55.14 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.337 -0.852 . . . . 0.53000000000000003 110.033 -179.627 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.1 p -118.06 26.06 9.91 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.392 -0.818 . . . . 0.46999999999999997 110.579 -179.297 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 45.17 18.55 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.149 -0.969 . . . . 0.66000000000000003 112.132 178.709 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.554 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.49 137.11 53.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.586 -1.321 . . . . 0.38 107.71 178.185 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -92.75 112.43 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.752 -1.218 . . . . 0.41999999999999998 109.217 -179.2 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.1 mm -109.23 127.52 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.892 -1.151 . . . . 0.26000000000000001 107.892 179.268 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.447 ' HG2' HH11 ' A' ' 44' ' ' ARG . 24.9 mtt-85 -71.93 -59.77 2.58 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.952 -1.092 . . . . 2.0499999999999998 110.652 -179.116 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.466 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 98.2 mt-30 -79.79 137.81 37.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.907 -1.12 . . . . 1.22 110.67 -179.45 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 p -67.57 -32.28 72.93 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.516 -0.74 . . . . 0.34999999999999998 109.999 179.589 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.574 ' NH1' ' H73' ' C' ' 116' ' ' ' DT' . 0.0 OUTLIER -63.34 -31.81 73.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.773 -1.205 . . . . 0.85999999999999999 108.94 179.778 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -79.56 -14.16 59.04 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.97 -1.081 . . . . 0.33000000000000002 108.173 179.174 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.6 tp -68.1 -53.25 26.84 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.121 -0.987 . . . . 0.37 108.668 179.183 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -61.78 -36.88 82.36 Favored 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 118.766 -1.174 . . . . 3.2400000000000002 108.157 179.802 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -62.63 -40.11 95.95 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.431 -0.951 . . . . 0.45000000000000001 108.431 178.152 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -59.95 -36.98 78.23 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.531 -0.914 . . . . 0.33000000000000002 108.531 179.544 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.68 -44.64 96.27 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.034 -1.042 . . . . 0.44 109.449 178.888 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.748 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 85.4 mt-10 -73.7 -22.68 59.84 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.096 -1.003 . . . . 2.0800000000000001 111.922 -179.291 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.2 mt -95.27 -40.58 9.48 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.938 -1.101 . . . . 0.5 112.027 -178.172 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.6 mmm-85 -108.44 17.23 22.32 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 120.714 -1.242 . . . . 2.21 111.815 -178.055 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.8 m-70 -153.42 -75.13 0.12 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.27 -1.519 . . . . 0.67000000000000004 110.627 179.058 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -77.97 12.64 1.69 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.023 -1.048 . . . . 0.88 109.572 -179.568 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -72.79 -8.65 56.48 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.296 -0.877 . . . . 1.0700000000000001 110.029 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -89.61 130.97 41.36 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 120.918 -1.114 . . . . 3.6499999999999999 109.485 -179.384 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -79.45 129.62 8.57 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.004 1.803 . . . . 2.3300000000000001 111.673 179.317 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -170.95 117.97 0.72 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.432 -1.467 . . . . 3.27 109.432 179.967 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.497 ' OXT' HG13 ' A' ' 63' ' ' VAL . 14.9 p . . . . . 0 N--CA 1.496 1.844 0 CA-C-O 118.055 -0.974 . . . . 5.1799999999999997 109.109 -179.799 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.68 0 O4'-C1'-N19 110.392 3.24 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.473 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.013 1 O4'-C1'-N19 111.144 4.181 . . . . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.473 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.72 3.65 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.48 1 O4'-C1'-N19 111.256 4.32 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.498 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.148 1 O4'-C1'-N19 111.517 4.646 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.498 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.494 0 C3'-C2'-C1' 107.075 3.125 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.399 1 O4'-C1'-N19 111.089 4.112 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.504 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.87 0 O4'-C1'-N19 110.98 3.974 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.478 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.084 0 O4'-C1'-N19 110.505 3.381 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.48 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.234 1 O4'-C1'-N19 111.049 4.061 . . . . 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.48 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.963 3.954 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.72 3.651 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.517 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.273 0 O4'-C1'-N19 110.246 3.058 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.517 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.628 0 O4'-C1'-N19 110.737 3.671 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.485 " O5'" H2'' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.483 0 O4'-C1'-N19 110.369 3.211 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.598 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.704 0 O4'-C1'-N19 110.508 3.384 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.598 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.579 1 O4'-C1'-N19 111.294 4.368 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.581 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.076 1 O4'-C1'-N19 111.864 5.081 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 1.885 0 O4'-C1'-N19 110.821 3.776 . . . . 0.64000000000000001 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.685 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.885 0 O4'-C1'-N19 110.886 3.857 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.685 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.693 1 O4'-C1'-N19 111.156 4.195 . . . . 0.73999999999999999 . . . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . 0.495 ' H6 ' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.503 0 C3'-C2'-C1' 107.031 3.093 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo . . . . . 0 N--CA 1.492 1.432 0 CA-C-O 121.306 0.461 . . . . 7.5599999999999996 112.075 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' CB ' ' NZ ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -154.99 74.65 0.93 Allowed 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.249 -0.907 . . . . 7.46 109.736 -179.639 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.43 -65.04 0.09 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.996 -1.065 . . . . 4.04 109.126 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -156.05 98.09 1.85 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.498 -0.751 . . . . 4.4900000000000002 110.091 -179.637 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -88.78 106.69 18.53 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.616 -0.883 . . . . 0.79000000000000004 108.616 179.05 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.94 109.08 21.13 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.244 -0.91 . . . . 0.93000000000000005 109.949 -179.869 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -90.78 13.77 15.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.302 -0.874 . . . . 2.1000000000000001 109.543 179.248 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.402 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -78.08 -49.33 1.96 Allowed Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 120.881 -1.137 . . . . 3.25 110.432 -178.954 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 83.1 Cg_exo -46.44 155.82 0.67 Allowed 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.755 1.637 . . . . 1.0 111.55 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -67.83 177.69 4.01 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 121.893 1.729 . . . . 1.3700000000000001 112.315 -178.947 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.06 20.16 76.19 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.812 -1.315 . . . . 1.3 109.812 -179.71 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.59 84.66 5.53 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.185 -1.185 . . . . 1.05 108.741 179.471 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -78.52 148.4 33.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.424 -0.798 . . . . 2.5899999999999999 109.984 -179.514 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -105.52 75.11 0.3 Allowed Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 121.46 -0.775 . . . . 2.3199999999999998 110.488 -179.244 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -63.47 138.62 66.34 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.089 1.193 . . . . 0.85999999999999999 111.123 179.552 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -72.66 -7.52 50.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.282 -0.886 . . . . 3.7400000000000002 110.237 -179.109 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.8 m -71.24 -6.28 38.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.755 -1.216 . . . . 0.87 109.747 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.504 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 29.1 mmt180 -103.81 -26.69 12.61 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.108 -0.995 . . . . 1.0600000000000001 110.611 -178.516 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.0 p -99.2 -34.39 10.37 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.896 -1.127 . . . . 0.66000000000000003 110.265 -179.312 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -63.77 -30.67 71.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.057 -1.027 . . . . 2.8199999999999998 109.709 179.47 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -56.86 -32.9 66.28 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.093 -1.004 . . . . 0.44 109.7 179.674 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' A' ' 47' ' ' ARG . 58.0 mm-40 -95.63 145.12 25.5 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.043 -1.035 . . . . 1.3 110.418 -179.571 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -112.82 150.41 42.75 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 107.052 -1.462 . . . . 2.0699999999999998 107.052 178.735 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -44.19 153.0 0.35 Allowed 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.16 1.24 . . . . 0.47999999999999998 111.583 -179.159 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.5 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -145.45 133.68 21.67 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.211 -0.931 . . . . 0.27000000000000002 110.984 -179.15 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 36' ' ' CYS . 88.7 m -113.45 161.51 17.24 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.505 0.669 . . . . 0.39000000000000001 109.926 179.557 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.529 ' N ' HG22 ' A' ' 35' ' ' THR . 5.1 t -105.12 104.55 47.68 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.56 -0.712 . . . . 0.41999999999999998 110.365 -179.857 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.77 -3.67 0.47 Allowed 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.09 1.86 . . . . 0.80000000000000004 113.534 179.099 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.8 mt -97.02 -53.01 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.184 0 O-C-N 120.727 -1.233 . . . . 0.53000000000000003 110.238 -179.038 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.5 p -120.67 14.35 11.76 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.391 -0.818 . . . . 0.46999999999999997 108.844 179.58 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 36' ' ' CYS . 95.5 m-85 54.43 20.72 2.89 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.649 -0.657 . . . . 0.66000000000000003 111.017 179.198 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.54 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.9 135.91 57.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.55 -1.344 . . . . 0.38 107.551 178.564 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.2 t -93.99 111.74 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.96 -1.087 . . . . 0.41999999999999998 109.824 -178.71 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.5 mm -112.15 120.26 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 N-CA-C 108.053 -1.092 . . . . 0.26000000000000001 108.053 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -67.83 -51.46 48.29 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.901 -1.124 . . . . 2.0499999999999998 111.326 -178.463 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -82.03 132.52 35.26 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.012 -1.055 . . . . 1.22 110.778 -179.463 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.3 p -62.28 -39.51 93.19 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.511 -0.743 . . . . 0.34999999999999998 109.31 179.053 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.565 ' NH1' ' H73' ' C' ' 116' ' ' ' DT' . 0.0 OUTLIER -59.8 -39.69 85.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.177 -0.952 . . . . 0.85999999999999999 109.311 179.994 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.44 -31.81 73.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.777 -1.202 . . . . 0.33000000000000002 109.313 179.041 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD22 ' HB1' ' A' ' 34' ' ' ALA . 62.6 tp -59.97 -40.84 90.45 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.825 -1.172 . . . . 0.37 109.195 -179.8 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.92 -44.39 94.35 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.997 -1.112 . . . . 3.2400000000000002 107.997 179.43 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -63.93 -36.79 85.12 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.563 -0.711 . . . . 0.45000000000000001 109.864 179.111 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -61.34 -42.11 98.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.335 -0.853 . . . . 0.33000000000000002 109.601 -179.797 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.24 -43.54 96.01 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.363 -0.836 . . . . 0.44 111.254 -179.642 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.677 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 77.6 mm-40 -71.45 -25.76 62.44 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.074 -1.016 . . . . 2.0800000000000001 112.397 -178.189 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.5 mt -98.17 -31.42 12.11 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.82 -1.175 . . . . 0.5 111.949 -177.781 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.558 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 3.3 mmp_? -105.3 0.31 26.97 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.014 -1.054 . . . . 2.21 112.566 -177.602 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.558 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 77.6 m-70 -149.66 -68.31 0.21 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.271 -1.518 . . . . 0.67000000000000004 111.146 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -76.28 10.13 2.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.027 -1.046 . . . . 0.88 109.455 -178.962 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -69.01 -9.33 51.87 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.707 -1.22 . . . . 1.0700000000000001 107.707 178.852 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -89.05 158.86 46.41 Favored Pre-proline 0 C--N 1.303 -1.442 0 N-CA-C 108.315 -0.994 . . . . 3.6499999999999999 108.315 179.496 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -48.52 160.49 0.59 Allowed 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.544 1.496 . . . . 2.3300000000000001 112.052 179.768 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.35 -87.7 0.03 OUTLIER Glycine 0 N--CA 1.486 1.978 0 N-CA-C 109.7 -1.36 . . . . 3.27 109.7 179.889 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 117.822 -1.085 . . . . 5.1799999999999997 109.556 -179.618 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.463 1 O4'-C1'-N19 111.312 4.39 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.709 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.243 1 O4'-C1'-N19 111.073 4.091 . . . . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.709 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.568 0 O4'-C1'-N19 110.931 3.914 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.432 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.053 1 O4'-C1'-N19 111.246 4.308 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.456 ' OP1' ' NH2' ' A' ' 44' ' ' ARG . . . . . . . . 0 C5'--C4' 1.542 3.931 1 O4'-C1'-N19 111.549 4.686 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.555 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.201 0 C3'-C2'-C1' 106.973 3.052 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.555 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.147 0 O4'-C1'-N19 110.545 3.432 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.916 0 O4'-C1'-N19 110.938 3.923 . . . . 0.66000000000000003 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.439 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.545 4.238 0 C3'-C2'-C1' 106.861 2.972 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.557 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.392 1 O4'-C1'-N19 111.088 4.11 . . . . 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.557 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.302 3.128 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.12 0 O4'-C1'-N19 110.473 3.341 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.065 0 O4'-C1'-N19 110.425 3.282 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.41 ' OP2' ' OG ' ' A' ' 30' ' ' SER . . . . . . . . 0 C5'--C4' 1.528 2.17 0 O4'-C1'-N19 110.383 3.228 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.252 3.065 . . . . 0.53000000000000003 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.416 " H4'" ' OP1' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.381 0 O4'-C1'-N19 110.623 3.528 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.51 ' O2 ' ' NH1' ' A' ' 14' ' ' ARG . . . . . . . . 1 C5'--C4' 1.543 4.025 1 O4'-C1'-N19 112.116 5.394 . . . . 1.95 . . . . . . . . . . 3 2 . 1 . 039 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.449 ' O2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.019 1 O4'-C1'-N19 112.339 5.673 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.433 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.063 0 O4'-C1'-N19 110.871 3.839 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.438 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.162 1 O4'-C1'-N19 111.083 4.104 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.438 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.474 0 O4'-C1'-N19 110.784 3.731 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.735 0 C3'-C2'-C1' 107.159 3.185 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo . . . . . 0 N--CA 1.493 1.473 0 CA-C-O 121.231 0.43 . . . . 7.5599999999999996 112.06 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -81.9 130.58 35.11 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.083 -1.01 . . . . 7.46 109.683 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.85 44.09 0.22 Allowed 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.715 -0.846 . . . . 4.04 108.715 -179.508 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -76.49 -61.07 2.08 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 116.396 -0.365 . . . . 4.4900000000000002 110.915 -178.927 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.51 ' NH1' ' O2 ' ' C' ' 117' ' ' ' DC' . 98.3 mtt180 -89.13 88.23 7.47 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.763 -1.211 . . . . 0.79000000000000004 109.468 -179.824 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.78 120.37 34.89 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.626 -0.671 . . . . 0.93000000000000005 109.833 179.972 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -96.86 7.49 46.5 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.544 -0.91 . . . . 2.1000000000000001 108.544 178.852 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.515 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 4.6 m-70 -81.4 -42.0 1.1 Allowed Pre-proline 0 N--CA 1.499 1.977 0 O-C-N 121.425 -0.797 . . . . 3.25 111.245 -178.265 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 88.7 Cg_exo -52.31 151.34 17.84 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 121.969 1.779 . . . . 1.0 113.432 -179.306 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -81.49 -178.97 4.58 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 123.043 2.496 . . . . 1.3700000000000001 111.781 179.203 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.01 15.59 80.93 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 110.042 -1.223 . . . . 1.3 110.042 178.983 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 21' ' ' THR . 5.1 t -92.53 88.97 6.54 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.978 -1.307 . . . . 1.05 109.933 179.911 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -78.73 144.66 35.03 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.935 -1.103 . . . . 2.5899999999999999 108.394 178.27 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -97.52 108.68 46.59 Favored Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 121.183 -0.948 . . . . 2.3199999999999998 110.075 -179.616 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -85.79 148.11 9.59 Favored 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 122.309 2.006 . . . . 0.85999999999999999 112.396 179.534 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -68.54 -18.58 64.39 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.507 -0.746 . . . . 3.7400000000000002 109.736 179.67 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -68.63 -6.8 27.91 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.219 -0.926 . . . . 0.87 111.065 -179.424 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 27' ' ' ARG . 15.0 mmt-85 -105.89 -22.69 12.86 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.994 -1.066 . . . . 1.0600000000000001 110.083 -179.339 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 p -108.77 -35.32 6.43 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.467 -0.771 . . . . 0.66000000000000003 109.056 179.145 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -64.22 -37.02 85.96 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.563 0.697 . . . . 2.8199999999999998 109.891 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.41 ' OG ' ' OP2' ' C' ' 114' ' ' ' DA' . 18.1 m -57.31 -28.95 63.52 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.215 -0.928 . . . . 0.44 110.168 -179.296 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -93.51 144.46 25.34 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.653 -1.279 . . . . 1.3 109.66 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -117.81 152.52 50.09 Favored Pre-proline 0 N--CA 1.502 2.146 0 N-CA-C 108.021 -1.103 . . . . 2.0699999999999998 108.021 179.296 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -42.21 153.55 0.13 Allowed 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.198 1.932 . . . . 0.47999999999999998 112.906 -179.279 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.497 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -144.68 132.51 21.26 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.235 -0.916 . . . . 0.27000000000000002 110.442 179.737 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.9 m -113.77 152.02 31.18 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.35 -0.843 . . . . 0.39000000000000001 109.938 179.747 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.5 t -91.12 129.37 43.98 Favored Pre-proline 0 N--CA 1.489 1.495 0 N-CA-C 109.508 -0.553 . . . . 0.41999999999999998 109.508 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -80.03 0.17 10.22 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 121.878 1.719 . . . . 0.80000000000000004 112.722 -179.771 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.5 mt -102.81 -48.78 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.233 -0.917 . . . . 0.53000000000000003 110.026 -179.576 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.2 p -122.55 14.23 10.21 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.341 -0.849 . . . . 0.46999999999999997 110.388 -179.626 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 56.83 18.11 3.63 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.979 -1.076 . . . . 0.66000000000000003 111.061 179.392 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.612 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.93 137.09 57.06 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.5 -1.296 . . . . 0.38 107.5 178.655 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -98.15 110.11 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.366 -0.834 . . . . 0.41999999999999998 109.664 -178.981 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.5 mm -109.27 129.88 63.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 N-CA-C 106.97 -1.493 . . . . 0.26000000000000001 106.97 179.049 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.456 ' NH2' ' OP1' ' B' ' 105' ' ' ' DA' . 2.9 mtm180 -74.12 -59.69 2.61 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 119.142 -1.023 . . . . 2.0499999999999998 110.287 -178.485 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -77.59 131.99 38.08 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.027 -1.045 . . . . 1.22 110.187 -179.084 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.4 p -62.63 -40.0 95.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.595 -0.691 . . . . 0.34999999999999998 110.369 179.878 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.0 ptp180 -54.75 -42.38 71.59 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.001 -1.062 . . . . 0.85999999999999999 108.622 -179.011 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.493 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.3 m-20 -66.27 -28.76 68.95 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.727 -0.608 . . . . 0.33000000000000002 109.955 -179.835 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.497 HD22 ' HB1' ' A' ' 34' ' ' ALA . 52.0 tp -60.22 -44.76 94.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.912 -1.118 . . . . 0.37 109.018 -179.032 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -60.32 -39.87 88.59 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.193 -0.942 . . . . 3.2400000000000002 108.513 179.398 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -63.92 -36.63 84.58 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.741 -0.837 . . . . 0.45000000000000001 108.741 179.356 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -63.86 -30.54 71.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.773 -0.579 . . . . 0.33000000000000002 109.82 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 58' ' ' PHE . 88.7 mt -68.39 -40.22 81.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.201 -0.937 . . . . 0.44 109.53 -179.843 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.694 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 88.1 mt-10 -76.83 -17.34 59.06 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.277 -0.89 . . . . 2.0800000000000001 111.442 -178.737 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.1 mt -96.44 -40.53 9.04 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.19 -1.569 . . . . 0.5 111.558 -179.389 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.578 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.0 mmm180 -108.02 9.66 28.44 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.15 -0.969 . . . . 2.21 112.818 -177.119 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 82.5 m-70 -153.73 -69.77 0.14 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.142 -1.599 . . . . 0.67000000000000004 110.587 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.456 ' C ' ' H ' ' A' ' 60' ' ' LYS . 49.5 m-85 -78.6 14.25 1.36 Allowed 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.076 -1.015 . . . . 0.88 109.103 -179.26 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.37 9.86 0.72 Allowed 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.824 -0.806 . . . . 1.0700000000000001 108.824 179.19 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 58' ' ' PHE . 27.2 mtmm -84.28 146.28 47.55 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.138 -0.976 . . . . 3.6499999999999999 109.095 -179.884 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.36 150.12 87.49 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.397 2.065 . . . . 2.3300000000000001 112.474 -178.609 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -162.52 122.06 1.07 Allowed Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.023 -1.631 . . . . 3.27 109.023 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.6 m . . . . . 0 N--CA 1.494 1.73 0 O-C-N 121.249 -1.148 . . . . 5.1799999999999997 108.686 179.885 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.561 3.451 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.406 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.68 0 O4'-C1'-N19 110.248 3.06 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.406 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.981 0 C3'-C2'-C1' 106.92 3.014 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.632 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.661 0 O4'-C1'-N19 110.956 3.946 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.632 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.388 1 O4'-C1'-N19 112.162 5.453 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.574 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.673 0 C3'-C2'-C1' 106.932 3.023 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.574 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.294 0 O4'-C1'-N19 110.953 3.941 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.535 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.677 0 O4'-C1'-N19 110.953 3.941 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.535 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.422 0 O4'-C1'-N19 110.949 3.936 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.56 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.487 3.359 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.56 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.516 0 O4'-C1'-N19 110.608 3.51 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.674 0 O4'-C1'-N19 110.771 3.714 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.452 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.414 0 O4'-C1'-N19 110.645 3.556 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.465 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.345 1 O4'-C1'-N19 111.358 4.447 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.465 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.234 0 C3'-C2'-C1' 106.718 2.87 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.461 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.55 0 O4'-C1'-N19 110.751 3.688 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.531 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.173 1 O4'-C1'-N19 111.395 4.494 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.531 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.1 1 O4'-C1'-N19 111.045 4.057 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.475 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.078 0 O4'-C1'-N19 110.828 3.785 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.507 ' N2 ' ' C2 ' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.518 0 O4'-C1'-N19 110.919 3.899 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.507 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.704 0 O4'-C1'-N19 110.374 3.217 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 C3'-C2'-C1' 107.038 3.099 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo . . . . . 0 N--CA 1.492 1.434 0 CA-C-O 121.431 0.513 . . . . 7.5599999999999996 112.146 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -155.54 15.77 0.38 Allowed 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.433 -0.792 . . . . 7.46 109.404 -179.35 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.72 -0.26 0.09 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.14 -0.975 . . . . 4.04 109.589 -179.625 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -154.43 92.55 1.51 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.515 -0.92 . . . . 4.4900000000000002 108.515 179.815 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -88.05 103.42 15.7 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.077 -1.014 . . . . 0.79000000000000004 109.142 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.98 129.46 35.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.183 -0.948 . . . . 0.93000000000000005 110.638 -179.408 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -91.78 10.29 29.07 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.435 -0.95 . . . . 2.1000000000000001 108.435 178.716 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.595 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -78.85 -30.67 0.68 Allowed Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.25 -0.906 . . . . 3.25 113.017 -177.622 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 82.1 Cg_exo -48.44 141.66 18.93 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 121.781 1.654 . . . . 1.0 113.031 -178.316 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -76.39 168.51 23.71 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 122.741 2.294 . . . . 1.3700000000000001 112.85 -179.668 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.95 35.09 51.17 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.728 -1.349 . . . . 1.3 109.728 179.607 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.27 91.09 7.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -1.162 . . . . 1.05 109.784 -179.542 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -76.87 149.9 36.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.963 -1.086 . . . . 2.5899999999999999 109.363 179.839 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -107.15 87.2 2.93 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.672 -0.643 . . . . 2.3199999999999998 111.017 -178.765 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.92 137.69 15.96 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 121.31 1.34 . . . . 0.85999999999999999 110.404 178.304 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HG2' HH11 ' A' ' 25' ' ' ARG . 16.9 mmt-85 -71.55 -7.82 50.05 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.133 -0.979 . . . . 3.7400000000000002 109.899 -178.696 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.9 m -72.03 -5.45 35.18 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.121 -0.987 . . . . 0.87 109.937 -179.885 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.514 HH11 ' HG2' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -99.63 -24.75 14.63 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.129 -0.982 . . . . 1.0600000000000001 110.216 -179.937 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.0 p -105.76 -38.21 6.46 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.023 -1.048 . . . . 0.66000000000000003 110.471 -179.076 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -68.76 -26.82 65.42 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.05 -1.031 . . . . 2.8199999999999998 109.828 -179.789 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -58.25 -36.11 72.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.36 -0.837 . . . . 0.44 109.665 -179.281 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.614 ' CG ' HH21 ' A' ' 47' ' ' ARG . 80.0 mm-40 -83.79 149.4 26.44 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.278 -0.889 . . . . 1.3 109.093 179.459 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -113.85 153.06 46.11 Favored Pre-proline 0 N--CA 1.502 2.129 0 N-CA-C 108.527 -0.916 . . . . 2.0699999999999998 108.527 179.657 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -49.79 153.9 5.4 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.646 1.564 . . . . 0.47999999999999998 111.174 179.908 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.5 136.92 23.86 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.015 -1.053 . . . . 0.27000000000000002 111.061 -178.741 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.8 m -115.93 139.84 49.83 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.696 0.76 . . . . 0.39000000000000001 109.894 178.862 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.5 t -76.31 132.86 72.29 Favored Pre-proline 0 C--N 1.302 -1.487 0 N-CA-C 108.983 -0.747 . . . . 0.41999999999999998 108.983 179.511 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -79.58 -7.32 14.72 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.322 1.348 . . . . 0.80000000000000004 112.318 179.772 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.9 mt -99.15 -53.7 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 O-C-N 121.26 -0.9 . . . . 0.53000000000000003 111.431 -179.11 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 19.0 p -114.21 15.13 18.23 Favored 'General case' 0 N--CA 1.51 2.538 0 O-C-N 121.092 -1.005 . . . . 0.46999999999999997 110.02 -179.295 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 53.29 19.68 1.64 Allowed 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.348 -0.845 . . . . 0.66000000000000003 110.13 179.639 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.667 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.42 137.75 57.89 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.578 -1.638 . . . . 0.38 106.578 177.713 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.2 t -93.9 115.0 31.66 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 121.038 -1.039 . . . . 0.41999999999999998 110.124 -178.903 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 34' ' ' ALA . 35.4 mm -109.2 127.97 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 N-CA-C 107.749 -1.204 . . . . 0.26000000000000001 107.749 178.899 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.495 ' NH2' ' OP1' ' B' ' 105' ' ' ' DA' . 4.9 mtm180 -74.34 -59.74 2.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.826 -1.171 . . . . 2.0499999999999998 109.189 -179.43 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -77.73 132.1 37.98 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.685 -0.806 . . . . 1.22 110.78 -178.63 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.8 p -66.63 -34.87 78.83 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.448 -0.783 . . . . 0.34999999999999998 109.768 -179.866 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.614 HH21 ' CG ' ' A' ' 31' ' ' GLU . 10.5 ptp180 -54.52 -42.95 71.45 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.664 -1.272 . . . . 0.85999999999999999 108.324 179.601 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.461 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 95.0 m-20 -65.9 -30.74 71.38 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.497 -0.752 . . . . 0.33000000000000002 110.043 179.751 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.1 tp -54.11 -49.44 69.14 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.924 -1.11 . . . . 0.37 109.053 -178.976 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.472 ' HG2' HH11 ' A' ' 50' ' ' ARG . 16.6 ttt-85 -59.06 -40.5 85.35 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.125 -1.065 . . . . 3.2400000000000002 108.125 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -66.17 -37.37 85.48 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.517 -0.739 . . . . 0.45000000000000001 109.841 178.953 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -60.11 -39.67 87.03 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.533 -0.73 . . . . 0.33000000000000002 109.107 -179.238 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.79 -41.49 97.8 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.012 -1.055 . . . . 0.44 109.617 178.733 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.727 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 96.0 mt-10 -70.93 -28.37 64.44 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.225 -0.922 . . . . 2.0800000000000001 111.736 -179.537 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.6 mt -95.63 -38.95 10.16 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.469 -1.394 . . . . 0.5 112.292 -178.53 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 18.7 mmm180 -102.93 9.78 38.59 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.028 -1.045 . . . . 2.21 112.536 -176.764 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 93.7 m-70 -154.41 -66.62 0.14 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.078 -1.639 . . . . 0.67000000000000004 111.064 179.896 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.48 ' C ' ' H ' ' A' ' 60' ' ' LYS . 67.7 m-85 -82.78 11.05 6.42 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.897 -1.127 . . . . 0.88 109.965 -179.182 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -68.56 11.76 0.16 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.345 -0.847 . . . . 1.0700000000000001 109.598 179.672 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 58' ' ' PHE . 44.3 pttt -85.97 149.23 50.02 Favored Pre-proline 0 N--CA 1.496 1.848 0 O-C-N 120.965 -1.085 . . . . 3.6499999999999999 109.245 -179.817 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -46.88 154.05 1.2 Allowed 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.07 1.847 . . . . 2.3300000000000001 112.343 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.6 -167.12 38.24 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.276 -1.53 . . . . 3.27 109.276 179.667 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.497 1.911 0 CA-C-O 117.95 -1.024 . . . . 5.1799999999999997 108.994 179.844 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.597 3.497 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.418 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.533 0 O4'-C1'-N19 110.491 3.364 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.418 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.006 0 O4'-C1'-N19 110.222 3.027 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.036 1 O4'-C1'-N19 111.492 4.615 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.366 1 O4'-C1'-N19 111.984 5.23 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.54 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.884 0 O4'-C1'-N19 110.594 3.493 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.487 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.788 0 O4'-C1'-N19 110.56 3.45 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.451 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.981 1 O4'-C1'-N19 111.181 4.226 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 0 O4'-C1'-N19 110.462 3.328 . . . . 0.87 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 0 O4'-C1'-N19 110.765 3.706 . . . . 0.85999999999999999 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.505 1 O4'-C1'-N19 111.108 4.135 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.583 0 O4'-C1'-N19 110.246 3.057 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 C3'-C2'-C1' 106.964 3.046 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.549 ' C2 ' ' N3 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.063 1 O4'-C1'-N19 111.526 4.657 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.549 ' N3 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.046 0 O4'-C1'-N19 110.295 3.119 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.542 " H4'" ' OP1' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.801 3.751 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.542 ' OP1' " H4'" ' C' ' 116' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.544 4.065 1 O4'-C1'-N19 112.327 5.659 . . . . 1.95 . . . . . . . . . . 3 2 . 1 . 041 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.98 1 O4'-C1'-N19 111.724 4.904 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.608 1 O4'-C1'-N19 111.305 4.381 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.5 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.884 5.105 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.5 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.633 3.541 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.392 0 O4'-C1'-N19 110.382 3.228 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 N--CA 1.495 1.613 0 CA-C-O 121.314 0.464 . . . . 7.5599999999999996 112.166 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -80.4 -6.61 58.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.364 -0.835 . . . . 7.46 109.97 -179.656 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.04 95.66 1.29 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.821 -1.174 . . . . 4.04 110.029 179.861 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -82.66 -79.35 0.19 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.691 -0.803 . . . . 4.4900000000000002 110.036 179.816 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -85.02 98.5 10.44 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.152 -0.968 . . . . 0.79000000000000004 109.479 -179.319 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.95 117.45 30.66 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.55 -0.719 . . . . 0.93000000000000005 110.164 179.921 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -93.65 -2.05 54.49 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.316 -0.865 . . . . 2.1000000000000001 109.651 179.039 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.616 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 32.6 t-80 -77.54 -32.29 0.92 Allowed Pre-proline 0 N--CA 1.5 2.058 0 O-C-N 121.485 -0.759 . . . . 3.25 112.583 -178.031 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.5 Cg_exo -53.67 149.25 32.78 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.128 1.885 . . . . 1.0 111.962 -179.211 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -76.68 172.89 15.38 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.693 2.262 . . . . 1.3700000000000001 112.998 179.11 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.54 28.63 61.11 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.857 -1.297 . . . . 1.3 109.857 179.692 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.722 HG23 ' O ' ' A' ' 21' ' ' THR . 8.6 t -91.64 86.69 6.07 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.022 -1.281 . . . . 1.05 108.052 179.331 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -76.3 148.24 37.65 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.453 -0.779 . . . . 2.5899999999999999 110.167 -179.119 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -106.78 76.51 0.44 Allowed Pre-proline 0 N--CA 1.499 1.975 0 O-C-N 121.294 -0.878 . . . . 2.3199999999999998 109.896 179.703 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.03 150.8 85.13 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 121.816 1.678 . . . . 0.85999999999999999 112.512 -179.575 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.532 ' HG2' HH11 ' A' ' 25' ' ' ARG . 13.5 mtt-85 -70.35 -13.6 62.22 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.983 -1.073 . . . . 3.7400000000000002 110.841 -179.061 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 m -70.59 -5.01 26.06 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.606 -1.309 . . . . 0.87 109.895 179.962 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.451 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 30.4 mmt180 -108.7 -26.24 10.44 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.146 -0.971 . . . . 1.0600000000000001 110.494 -178.984 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 p -108.05 -28.88 9.29 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.335 -0.853 . . . . 0.66000000000000003 110.123 -179.354 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.438 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 17.8 tp60 -60.45 -37.73 81.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.963 -1.086 . . . . 2.8199999999999998 109.607 -179.885 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.8 m -58.86 -30.22 67.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.398 -0.814 . . . . 0.44 108.927 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -84.84 132.98 34.34 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.567 0.699 . . . . 1.3 110.231 -178.956 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 29' ' ' GLN . 41.2 mm-40 -115.18 150.61 44.64 Favored Pre-proline 0 N--CA 1.502 2.153 0 N-CA-C 108.861 -0.792 . . . . 2.0699999999999998 108.861 179.896 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -50.58 152.84 8.57 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.86 1.707 . . . . 0.47999999999999998 111.279 -179.587 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -147.29 142.57 27.31 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.002 -1.061 . . . . 0.27000000000000002 112.32 -178.505 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.48 HG22 ' N ' ' A' ' 36' ' ' CYS . 83.5 m -117.19 160.38 21.15 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 121.419 0.628 . . . . 0.39000000000000001 110.196 178.804 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.48 ' N ' HG22 ' A' ' 35' ' ' THR . 5.6 t -104.7 104.76 47.51 Favored Pre-proline 0 N--CA 1.501 2.099 0 O-C-N 121.398 -0.814 . . . . 0.41999999999999998 110.071 179.943 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.42 -4.28 0.75 Allowed 'Trans proline' 0 N--CA 1.502 1.981 0 C-N-CA 121.92 1.747 . . . . 0.80000000000000004 113.349 179.39 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.1 mt -96.8 -53.25 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 120.717 -1.239 . . . . 0.53000000000000003 109.688 -179.229 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.675 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 19.1 p -120.31 16.38 12.25 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.414 -0.804 . . . . 0.46999999999999997 109.205 178.999 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' CYS . 94.2 m-85 52.0 19.19 0.95 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.545 -0.722 . . . . 0.66000000000000003 110.643 179.503 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.675 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.6 138.74 57.63 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.97 -1.493 . . . . 0.38 106.97 178.268 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.61 114.46 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.699 -1.251 . . . . 0.41999999999999998 110.077 -178.722 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ALA . 33.8 mm -109.06 129.95 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 107.254 -1.387 . . . . 0.26000000000000001 107.254 178.14 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -71.48 -63.44 1.12 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.728 -1.232 . . . . 2.0499999999999998 110.281 -178.388 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.614 HE22 ' NH2' ' A' ' 47' ' ' ARG . 85.8 mt-30 -79.63 132.09 36.16 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.129 -0.982 . . . . 1.22 110.252 -179.414 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.5 p -62.54 -35.45 79.47 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.656 -0.652 . . . . 0.34999999999999998 110.432 179.34 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.614 ' NH2' HE22 ' A' ' 45' ' ' GLN . 27.6 ptt180 -58.96 -36.99 75.74 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.743 -1.223 . . . . 0.85999999999999999 108.312 179.586 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.88 -29.23 67.48 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.277 -0.89 . . . . 0.33000000000000002 109.35 179.048 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.1 tp -59.65 -43.55 93.88 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.218 -0.926 . . . . 0.37 109.466 -179.246 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' CD ' ' H ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -59.02 -40.19 84.22 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.337 -1.357 . . . . 3.2400000000000002 107.337 179.07 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -64.36 -37.04 86.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.612 -0.68 . . . . 0.45000000000000001 109.491 179.147 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -63.85 -37.65 88.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.375 -0.828 . . . . 0.33000000000000002 109.565 179.601 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.66 -43.85 93.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.151 -0.968 . . . . 0.44 109.922 -179.631 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.741 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 99.2 mt-10 -73.69 -15.12 61.24 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.144 -0.973 . . . . 2.0800000000000001 111.68 -179.425 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -98.5 -47.13 5.5 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 120.92 -1.113 . . . . 0.5 112.091 -177.873 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.428 HH11 ' HG3' ' A' ' 56' ' ' ARG . 20.3 mmm-85 -104.61 17.93 23.19 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.929 -1.107 . . . . 2.21 112.009 -178.229 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.7 m-70 -151.25 -78.56 0.12 Allowed 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.666 -1.271 . . . . 0.67000000000000004 110.604 178.998 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -80.4 15.28 1.66 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.801 -1.187 . . . . 0.88 110.496 -179.156 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -70.34 -20.71 62.97 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.047 -1.033 . . . . 1.0700000000000001 109.202 179.665 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -87.62 149.24 45.88 Favored Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.219 -0.926 . . . . 3.6499999999999999 109.773 -179.906 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.62 154.56 44.52 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 122.811 2.34 . . . . 2.3300000000000001 112.156 179.397 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.6 125.59 1.39 Allowed Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.334 -1.507 . . . . 3.27 109.334 -179.7 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 75.0 t . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 117.952 -1.023 . . . . 5.1799999999999997 109.175 -179.691 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.407 H2'' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.553 0 O4'-C1'-N19 110.334 3.168 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.551 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.275 0 O4'-C1'-N19 110.406 3.258 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.551 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.251 1 O4'-C1'-N19 111.01 4.012 . . . . 0.65000000000000002 . . . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.427 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.47 1 O4'-C1'-N19 111.158 4.197 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.482 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.534 2.88 1 O4'-C1'-N19 111.25 4.312 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 0 C3'-C2'-C1' 106.939 3.028 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.79 1 O4'-C1'-N19 111.322 4.402 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.535 ' N7 ' ' NH2' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.492 0 O4'-C1'-N19 110.917 3.897 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.453 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.497 0 C3'-C2'-C1' 106.678 2.841 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.424 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.312 0 O4'-C1'-N19 110.427 3.284 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.424 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.687 3.609 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 111.295 4.369 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.059 0 O4'-C1'-N19 110.345 3.181 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.647 3.558 . . . . 0.56999999999999995 . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.217 0 C3'-C2'-C1' 106.815 2.939 . . . . 0.53000000000000003 . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.645 ' H71' ' HD2' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.676 0 O4'-C1'-N19 110.641 3.551 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.631 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.201 1 O4'-C1'-N19 111.71 4.888 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.631 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.274 1 O4'-C1'-N19 111.249 4.312 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.439 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.101 0 O4'-C1'-N19 110.987 3.984 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.32 1 O4'-C1'-N19 111.14 4.174 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.432 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.407 0 O4'-C1'-N19 110.564 3.455 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . 0.458 ' H6 ' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.356 3.195 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo . . . . . 0 N--CA 1.492 1.434 0 CA-C-O 121.548 0.562 . . . . 7.5599999999999996 112.654 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -86.82 156.82 19.74 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.394 -0.816 . . . . 7.46 109.631 -179.708 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 121.68 15.66 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.274 -0.891 . . . . 4.04 110.042 -179.379 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -153.13 110.05 3.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.373 -0.829 . . . . 4.4900000000000002 108.807 179.166 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -84.77 99.74 11.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.163 -0.961 . . . . 0.79000000000000004 109.264 -179.629 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.22 132.63 48.03 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.599 -0.688 . . . . 0.93000000000000005 109.231 179.364 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -90.4 11.56 21.15 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.201 -0.937 . . . . 2.1000000000000001 108.924 178.382 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.618 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.0 m80 -79.32 -28.83 0.56 Allowed Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.438 -0.789 . . . . 3.25 112.621 -177.973 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.5 Cg_exo -54.38 142.61 68.94 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.603 1.535 . . . . 1.0 111.479 -179.125 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.11 171.54 15.03 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.376 2.051 . . . . 1.3700000000000001 112.581 -179.306 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.88 31.11 62.55 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.822 -1.311 . . . . 1.3 109.822 179.861 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.82 90.93 8.62 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.008 -1.29 . . . . 1.05 108.958 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -80.51 139.08 36.56 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.355 -0.84 . . . . 2.5899999999999999 109.262 -179.904 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -105.94 97.69 16.13 Favored Pre-proline 0 N--CA 1.5 2.032 0 O-C-N 121.634 -0.666 . . . . 2.3199999999999998 109.484 179.849 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -84.37 154.93 12.4 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 C-N-CA 121.466 1.444 . . . . 0.85999999999999999 111.415 178.735 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.61 -18.93 65.63 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.325 -0.859 . . . . 3.7400000000000002 110.7 -179.21 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.7 m -70.12 -3.71 17.95 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.641 -1.287 . . . . 0.87 110.844 -179.271 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.549 HH11 ' HG2' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -103.05 -29.95 11.05 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.965 -1.084 . . . . 1.0600000000000001 111.178 -179.612 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 p -110.16 -43.13 4.0 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.154 -0.966 . . . . 0.66000000000000003 109.495 179.947 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -59.02 -37.87 77.91 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.627 -0.829 . . . . 2.8199999999999998 109.404 -178.764 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.0 m -58.88 -30.51 67.8 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.286 -0.884 . . . . 0.44 109.521 179.926 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -76.75 134.62 39.11 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.175 -0.953 . . . . 1.3 108.913 179.823 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -117.08 152.13 48.47 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.836 -0.801 . . . . 2.0699999999999998 108.836 -179.488 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -49.59 155.9 3.34 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.746 1.631 . . . . 0.47999999999999998 112.462 -179.644 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -145.68 133.89 21.66 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.435 -0.791 . . . . 0.27000000000000002 109.843 -179.658 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.4 m -113.96 145.05 42.08 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.356 -0.84 . . . . 0.39000000000000001 110.029 179.349 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -82.11 129.26 64.8 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.295 -0.878 . . . . 0.41999999999999998 109.028 179.9 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -76.25 -6.01 16.78 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.723 1.616 . . . . 0.80000000000000004 112.122 -179.893 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.0 mt -100.51 -57.5 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.279 -0.888 . . . . 0.53000000000000003 110.964 -179.359 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.2 p -114.07 25.73 10.89 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.445 -0.784 . . . . 0.46999999999999997 110.201 -179.149 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 43.37 18.03 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.326 -0.859 . . . . 0.66000000000000003 111.485 178.597 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.589 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.96 135.71 57.68 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.358 -1.349 . . . . 0.38 107.358 178.413 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.38 118.56 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.946 -1.097 . . . . 0.41999999999999998 110.468 -178.7 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 36.2 mm -111.16 130.0 65.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 107.638 -1.245 . . . . 0.26000000000000001 107.638 178.729 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' HG2' HH11 ' A' ' 44' ' ' ARG . 9.4 mtt-85 -74.12 -60.94 2.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.552 -1.342 . . . . 2.0499999999999998 110.735 -178.634 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.57 ' OE1' ' NH1' ' A' ' 47' ' ' ARG . 75.8 mt-30 -81.42 132.44 35.32 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.797 -1.19 . . . . 1.22 109.647 -179.616 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.1 p -63.58 -37.68 88.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.153 -0.967 . . . . 0.34999999999999998 111.002 -179.154 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.715 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -57.27 -36.2 70.7 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 120.2 -1.563 . . . . 0.85999999999999999 109.023 -179.818 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.447 HD22 ' H62' ' B' ' 105' ' ' ' DA' . 12.1 m120 -67.53 -29.32 68.69 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.111 -0.993 . . . . 0.33000000000000002 108.464 178.389 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.0 tp -57.74 -45.82 85.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.92 -1.113 . . . . 0.37 109.787 179.985 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.428 HH12 ' HA ' ' A' ' 47' ' ' ARG . 20.7 mtm-85 -60.01 -38.44 82.64 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 117.961 -1.496 . . . . 3.2400000000000002 107.31 179.834 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' NH2' ' C6 ' ' B' ' 103' ' ' ' DC' . 42.7 ttp180 -62.31 -38.65 90.26 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.731 -0.606 . . . . 0.45000000000000001 109.395 178.968 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -61.82 -40.15 94.28 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.508 -0.745 . . . . 0.33000000000000002 110.47 -179.535 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.53 -46.79 87.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.955 -1.091 . . . . 0.44 109.998 -179.218 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.705 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 77.9 mm-40 -71.64 -21.86 61.76 Favored 'General case' 0 C--N 1.293 -1.883 0 O-C-N 121.287 -0.883 . . . . 2.0800000000000001 111.806 -178.791 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.75 -36.99 10.97 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.606 -1.309 . . . . 0.5 111.814 -178.69 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.534 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 21.4 mmm-85 -109.98 16.99 21.55 Favored 'General case' 0 N--CA 1.508 2.425 0 O-C-N 120.759 -1.213 . . . . 2.21 112.636 -177.92 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.1 m-70 -154.83 -72.01 0.12 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.259 -1.525 . . . . 0.67000000000000004 110.732 179.472 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.459 ' C ' ' H ' ' A' ' 60' ' ' LYS . 86.9 m-85 -81.31 11.71 4.16 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.997 -1.065 . . . . 0.88 109.68 -179.62 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -68.04 5.95 0.82 Allowed 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 108.996 -0.742 . . . . 1.0700000000000001 108.996 179.669 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 58' ' ' PHE . 9.4 mtmp? -87.07 150.04 48.89 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.41 -0.806 . . . . 3.6499999999999999 109.013 179.882 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.18 147.27 94.05 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 121.944 1.762 . . . . 2.3300000000000001 111.903 -179.899 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.61 -131.54 1.37 Allowed Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.646 -1.382 . . . . 3.27 109.646 -179.575 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.498 1.946 0 O-C-N 121.281 -1.129 . . . . 5.1799999999999997 109.606 -179.896 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 C3'-C2'-C1' 107.027 3.091 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.628 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.3 0 O4'-C1'-N19 110.694 3.617 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.628 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.339 0 O4'-C1'-N19 110.353 3.191 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.571 0 O4'-C1'-N19 110.562 3.453 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.506 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.536 3.139 0 O4'-C1'-N19 110.923 3.903 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.501 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.865 0 C3'-C2'-C1' 106.875 2.982 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.501 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.453 0 O4'-C1'-N19 110.958 3.948 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.406 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 111.088 4.11 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.535 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.259 3.073 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.535 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.326 0 O4'-C1'-N19 110.59 3.487 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.884 0 O4'-C1'-N19 110.931 3.914 . . . . 0.95999999999999996 . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.475 1 O4'-C1'-N19 111.142 4.178 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.517 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.63 0 C3'-C2'-C1' 107.088 3.134 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.522 ' C2 ' ' N3 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.12 1 O4'-C1'-N19 111.281 4.352 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.522 ' N3 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.498 0 C3'-C2'-C1' 106.92 3.014 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.475 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.174 0 O4'-C1'-N19 110.681 3.601 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.624 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.52 1 O4'-C1'-N19 111.325 4.406 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.624 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.586 1 O4'-C1'-N19 111.772 4.965 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.894 0 O4'-C1'-N19 110.657 3.571 . . . . 0.64000000000000001 . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.491 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.452 1 O4'-C1'-N19 111.383 4.479 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.491 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.952 0 O4'-C1'-N19 110.974 3.967 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.137 0 O4'-C1'-N19 110.601 3.501 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo . . . . . 0 N--CA 1.493 1.464 0 CA-C-O 121.266 0.444 . . . . 7.5599999999999996 112.357 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -149.72 157.11 42.91 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.408 -0.808 . . . . 7.46 109.158 -179.53 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.59 -78.32 0.06 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.43 -0.794 . . . . 4.04 109.149 -179.939 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -156.42 -132.56 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.63 -0.878 . . . . 4.4900000000000002 108.63 -179.583 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.416 HH21 " H1'" ' B' ' 107' ' ' ' DA' . 42.8 mtp180 -88.44 90.54 8.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.064 -1.022 . . . . 0.79000000000000004 108.34 179.341 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.17 111.23 23.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.34 -0.85 . . . . 0.93000000000000005 110.392 -179.346 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -86.81 5.91 34.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.417 -0.802 . . . . 2.1000000000000001 109.221 179.17 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.458 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 10.5 m-70 -78.65 -53.78 1.19 Allowed Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 121.099 -1.001 . . . . 3.25 112.234 -179.027 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 17' ' ' HIS . 2.2 Cg_endo -42.82 163.69 0.04 OUTLIER 'Trans proline' 0 N--CA 1.5 1.888 0 C-N-CA 121.842 1.695 . . . . 1.0 112.346 -179.178 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -66.96 174.44 6.81 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.688 2.259 . . . . 1.3700000000000001 112.126 -178.903 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.41 13.34 80.61 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.801 -1.319 . . . . 1.3 109.801 -179.888 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 21' ' ' THR . 9.4 t -90.36 87.25 6.73 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.11 -1.23 . . . . 1.05 109.678 -179.765 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -83.03 144.45 29.92 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.641 -0.662 . . . . 2.5899999999999999 110.08 179.962 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -107.28 69.67 0.27 Allowed Pre-proline 0 N--CA 1.508 2.451 0 O-C-N 121.242 -0.911 . . . . 2.3199999999999998 111.033 -179.776 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -56.61 148.96 61.19 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.263 1.309 . . . . 0.85999999999999999 111.245 178.936 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.05 -18.13 62.58 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.121 -0.987 . . . . 3.7400000000000002 110.222 -179.56 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.5 m -70.1 -4.31 20.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.287 -0.883 . . . . 0.87 110.338 -179.265 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 30.1 mmt180 -92.93 -46.05 7.67 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.095 -1.003 . . . . 1.0600000000000001 110.313 -179.029 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.4 p -100.81 -28.93 12.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.455 -0.778 . . . . 0.66000000000000003 110.264 -178.52 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -60.45 -38.74 85.13 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.764 -1.21 . . . . 2.8199999999999998 108.396 179.106 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.2 m -59.38 -31.8 69.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.283 -0.886 . . . . 0.44 109.178 179.553 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -81.56 143.23 32.14 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.132 -0.98 . . . . 1.3 110.233 -179.553 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -129.99 154.25 81.17 Favored Pre-proline 0 N--CA 1.496 1.834 0 N-CA-C 107.912 -1.144 . . . . 2.0699999999999998 107.912 179.28 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.11 153.86 11.73 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.735 1.623 . . . . 0.47999999999999998 111.976 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.44 134.06 21.01 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.16 -0.963 . . . . 0.27000000000000002 111.119 -179.295 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.8 m -112.32 145.07 40.68 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.315 -0.866 . . . . 0.39000000000000001 109.606 179.095 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.2 t -82.87 127.4 69.88 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.276 -0.89 . . . . 0.41999999999999998 109.341 -179.856 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.38 -3.31 13.53 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 121.859 1.706 . . . . 0.80000000000000004 112.61 -179.534 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.9 mt -100.93 -53.64 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.228 -0.92 . . . . 0.53000000000000003 110.085 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.5 p -118.96 18.03 13.26 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 121.341 -0.849 . . . . 0.46999999999999997 110.751 -179.407 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 54.49 16.26 1.25 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.261 -0.899 . . . . 0.66000000000000003 111.902 178.545 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.554 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.16 134.73 56.74 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.575 -1.328 . . . . 0.38 107.587 177.854 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -94.02 117.62 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.914 -1.116 . . . . 0.41999999999999998 110.07 -179.1 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.6 mm -112.44 131.17 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 107.069 -1.456 . . . . 0.26000000000000001 107.069 178.508 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.503 ' HG2' HH11 ' A' ' 44' ' ' ARG . 18.0 mtt-85 -74.53 -61.97 1.69 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.662 -1.274 . . . . 2.0499999999999998 110.537 -178.555 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.676 HE22 ' NH2' ' A' ' 47' ' ' ARG . 88.3 mt-30 -77.33 141.31 39.95 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.13 -0.981 . . . . 1.22 110.294 -179.098 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.4 p -69.33 -36.79 77.3 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.036 -1.04 . . . . 0.34999999999999998 110.019 179.828 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.676 ' NH2' HE22 ' A' ' 45' ' ' GLN . 26.0 ptt180 -60.04 -34.02 72.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.824 -1.173 . . . . 0.85999999999999999 108.566 179.659 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.496 ' ND2' ' OE1' ' A' ' 45' ' ' GLN . 99.0 m-20 -69.79 -29.62 66.97 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.935 -0.765 . . . . 0.33000000000000002 108.935 178.765 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.47 -41.01 93.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.865 . . . . 0.37 109.097 179.281 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -60.01 -39.43 85.78 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.52 -1.289 . . . . 3.2400000000000002 107.52 179.258 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.488 ' NH2' ' C6 ' ' B' ' 103' ' ' ' DC' . 43.4 ttp180 -67.16 -38.36 85.33 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 109.259 -0.645 . . . . 0.45000000000000001 109.259 179.194 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -61.65 -41.26 97.27 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.354 -0.841 . . . . 0.33000000000000002 109.513 179.853 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.07 -39.95 94.14 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.264 -0.898 . . . . 0.44 110.298 -179.916 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.722 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 79.2 mm-40 -72.06 -20.29 61.69 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.377 -0.827 . . . . 2.0800000000000001 111.914 -178.422 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.1 mt -103.72 -32.84 9.17 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.917 -1.114 . . . . 0.5 112.347 -178.13 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.562 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.8 mmm-85 -108.0 6.69 27.34 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.547 -1.346 . . . . 2.21 112.144 -178.073 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 86.0 m-70 -152.32 -68.59 0.16 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.398 -1.439 . . . . 0.67000000000000004 111.165 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -77.73 8.14 4.87 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.773 -1.204 . . . . 0.88 109.318 -179.536 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.17 2.87 4.05 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.64 -0.662 . . . . 1.0700000000000001 110.148 -179.67 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -85.48 148.74 50.16 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 120.971 -1.081 . . . . 3.6499999999999999 108.997 179.81 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.41 137.57 40.06 Favored 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 121.852 1.701 . . . . 2.3300000000000001 111.625 -179.92 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.06 91.75 0.11 Allowed Glycine 0 N--CA 1.488 2.1 0 N-CA-C 109.402 -1.479 . . . . 3.27 109.402 -179.852 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.497 1.906 0 O-C-N 121.456 -1.026 . . . . 5.1799999999999997 109.109 179.693 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.379 0 O4'-C1'-N19 110.831 3.789 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.141 0 O4'-C1'-N19 110.57 3.463 . . . . 0.77000000000000002 . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.493 ' C5 ' ' NH2' ' A' ' 51' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 111.124 4.155 . . . . 0.65000000000000002 . . . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.481 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.014 1 O4'-C1'-N19 111.58 4.725 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.481 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.96 1 O4'-C1'-N19 112.144 5.43 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.567 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.045 0 C3'-C2'-C1' 107.072 3.123 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.567 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.599 1 O4'-C1'-N19 111.02 4.025 . . . . 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.484 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.949 0 O4'-C1'-N19 110.886 3.857 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.573 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.323 0 O4'-C1'-N19 110.62 3.525 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.573 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.06 0 O4'-C1'-N19 110.6 3.501 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.538 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.26 0 O4'-C1'-N19 110.474 3.343 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.229 1 O4'-C1'-N19 111.562 4.703 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.411 0 O4'-C1'-N19 110.35 3.187 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.47 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.747 0 O4'-C1'-N19 110.78 3.725 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.47 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.409 0 O4'-C1'-N19 110.604 3.505 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.576 ' OP2' ' H71' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.029 0 O4'-C1'-N19 110.402 3.253 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.42 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.92 1 O4'-C1'-N19 111.475 4.594 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.523 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 111.742 4.927 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.523 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.043 1 O4'-C1'-N19 111.103 4.128 . . . . 0.64000000000000001 . . . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.71 1 O4'-C1'-N19 111.118 4.148 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.669 0 C3'-C2'-C1' 107.009 3.078 . . . . 0.73999999999999999 . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 0 C3'-C2'-C1' 106.831 2.95 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo . . . . . 0 N--CA 1.495 1.601 0 CA-C-O 121.341 0.475 . . . . 7.5599999999999996 112.366 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' C ' ' H ' ' A' ' 13' ' ' LYS . 30.2 mmtp -73.71 173.96 9.07 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.901 -1.124 . . . . 7.46 109.032 179.844 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.87 6.39 0.51 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.102 -0.999 . . . . 4.04 109.367 -179.996 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 11' ' ' LYS . 4.5 mptp? -79.22 146.32 33.12 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.171 -0.955 . . . . 4.4900000000000002 108.919 179.572 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -90.3 100.75 13.52 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.844 -1.16 . . . . 0.79000000000000004 110.358 -179.705 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.41 109.02 20.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.274 -0.891 . . . . 0.93000000000000005 109.383 179.14 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -94.76 10.73 34.02 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.521 -0.737 . . . . 2.1000000000000001 109.423 179.637 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.621 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 68.8 m-70 -82.32 -31.31 0.54 Allowed Pre-proline 0 N--CA 1.498 1.969 0 O-C-N 121.017 -1.052 . . . . 3.25 112.25 -179.016 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 73.6 Cg_exo -49.82 154.31 5.05 Favored 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 122.061 1.84 . . . . 1.0 112.139 -178.755 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -62.25 168.95 8.56 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.628 2.219 . . . . 1.3700000000000001 112.303 -178.642 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.57 21.21 75.44 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 110.53 -1.028 . . . . 1.3 110.53 179.464 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 21' ' ' THR . 5.8 t -91.68 89.82 7.29 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.904 -1.351 . . . . 1.05 109.103 179.394 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -74.76 141.77 44.38 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.124 -0.985 . . . . 2.5899999999999999 108.672 179.409 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -106.53 88.43 3.36 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.802 -0.562 . . . . 2.3199999999999998 109.709 -179.434 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.31 137.42 18.89 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 121.659 1.573 . . . . 0.85999999999999999 111.213 179.512 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 1.3 mpt_? -73.34 -8.18 54.77 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.526 -0.734 . . . . 3.7400000000000002 109.587 -179.628 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.4 m -71.09 -5.33 30.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.912 -1.118 . . . . 0.87 109.755 -179.694 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.484 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 9.9 mmt-85 -97.08 -17.16 20.15 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.55 -0.718 . . . . 1.0600000000000001 109.637 179.852 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.4 p -109.38 -42.97 4.22 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.612 -0.68 . . . . 0.66000000000000003 110.068 -179.858 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -60.54 -36.13 77.69 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.235 -0.916 . . . . 2.8199999999999998 110.468 -179.198 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.1 m -62.21 -19.32 63.04 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.258 -1.015 . . . . 0.44 108.258 -179.89 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -92.04 143.85 26.05 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.58 -0.7 . . . . 1.3 110.208 -179.367 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.468 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 4.4 mp0 -116.45 152.82 48.57 Favored Pre-proline 0 N--CA 1.499 2.011 0 N-CA-C 108.974 -0.751 . . . . 2.0699999999999998 108.974 -179.689 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -57.07 151.88 47.79 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 121.765 1.643 . . . . 0.47999999999999998 110.783 179.395 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.68 133.31 23.65 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 119.896 -0.722 . . . . 0.27000000000000002 110.908 -178.849 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.6 m -114.79 140.06 49.22 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.466 0.65 . . . . 0.39000000000000001 109.791 179.306 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.444 ' HB3' ' N ' ' A' ' 41' ' ' ALA . 5.3 t -74.76 127.05 87.78 Favored Pre-proline 0 C--N 1.302 -1.461 0 N-CA-C 108.302 -0.999 . . . . 0.41999999999999998 108.302 179.106 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.99 -2.68 12.9 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.055 1.837 . . . . 0.80000000000000004 111.908 179.926 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.8 mt -103.13 -59.71 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.297 -0.877 . . . . 0.53000000000000003 110.061 -179.381 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 13.9 p -112.7 27.45 9.62 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.479 -0.763 . . . . 0.46999999999999997 110.356 -178.57 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 44.84 18.31 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.441 -0.787 . . . . 0.66000000000000003 111.779 179.202 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.57 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.7 134.61 54.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.566 -1.334 . . . . 0.38 107.533 177.783 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -95.79 111.84 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.058 -1.026 . . . . 0.41999999999999998 110.462 -178.443 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.5 mm -109.79 126.07 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 107.355 -1.35 . . . . 0.26000000000000001 107.355 178.243 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -70.73 -59.53 2.76 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 118.852 -1.139 . . . . 2.0499999999999998 110.731 -178.888 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.613 ' NE2' HH21 ' A' ' 47' ' ' ARG . 90.2 mt-30 -79.92 137.9 36.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.301 -0.874 . . . . 1.22 109.262 -179.284 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.6 p -68.28 -38.75 82.01 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.26 -0.9 . . . . 0.34999999999999998 110.668 -178.923 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.613 HH21 ' NE2' ' A' ' 45' ' ' GLN . 22.4 ptt180 -53.31 -37.64 62.44 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.273 -0.892 . . . . 0.85999999999999999 108.607 179.873 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -72.39 -25.37 61.48 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.589 -0.695 . . . . 0.33000000000000002 109.386 178.972 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.13 -48.2 82.71 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.997 -1.064 . . . . 0.37 109.159 -179.663 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HG2' HH11 ' A' ' 50' ' ' ARG . 18.7 ttt-85 -59.74 -40.01 86.65 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.351 -1.352 . . . . 3.2400000000000002 107.351 179.815 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.493 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 42.8 ttp180 -59.94 -39.57 86.0 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.07 -1.052 . . . . 0.45000000000000001 109.195 178.6 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -61.45 -36.81 81.45 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.283 -0.885 . . . . 0.33000000000000002 109.97 -179.375 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.69 -39.94 86.2 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.802 -1.186 . . . . 0.44 109.594 -179.869 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.735 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 48.0 mt-10 -74.88 -19.59 60.08 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.325 -0.859 . . . . 2.0800000000000001 112.81 -178.107 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.9 mt -95.86 -45.08 7.11 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.474 -1.391 . . . . 0.5 112.533 -177.974 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.519 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.8 mmm-85 -107.16 19.56 20.21 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 120.625 -1.297 . . . . 2.21 111.757 -178.015 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 95.6 m-70 -155.35 -75.19 0.11 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 120.341 -1.475 . . . . 0.67000000000000004 110.736 179.687 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -78.61 10.76 2.95 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.276 -0.89 . . . . 0.88 110.203 -178.94 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -68.8 -16.29 63.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.329 -0.857 . . . . 1.0700000000000001 108.7 178.885 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.402 ' H ' ' HD2' ' A' ' 60' ' ' LYS . 2.1 mptp? -90.94 136.25 27.78 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.27 -0.894 . . . . 3.6499999999999999 109.484 -179.664 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -48.08 131.59 21.84 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 121.328 1.352 . . . . 2.3300000000000001 112.528 179.77 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.8 124.26 8.5 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.909 -1.277 . . . . 3.27 109.909 179.971 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.502 2.142 0 O-C-N 121.499 -1.001 . . . . 5.1799999999999997 109.379 179.802 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.236 0 O4'-C1'-N19 110.827 3.784 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.515 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.513 0 O4'-C1'-N19 110.728 3.66 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.601 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.023 0 O4'-C1'-N19 110.457 3.322 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.601 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.857 0 O4'-C1'-N19 110.968 3.96 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.476 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.973 1 O4'-C1'-N19 111.562 4.702 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.682 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C1'-N19 110.704 3.63 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.682 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.224 0 C3'-C2'-C1' 107.053 3.109 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.453 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.568 1 O4'-C1'-N19 111.113 4.141 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.494 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.365 0 C3'-C2'-C1' 106.974 3.053 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.573 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.572 0 O4'-C1'-N19 110.608 3.509 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.573 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.558 3.447 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.741 0 O4'-C1'-N19 110.909 3.887 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.415 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.835 0 O4'-C1'-N19 110.897 3.871 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.415 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.453 1 O4'-C1'-N19 111.172 4.216 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.279 0 O4'-C1'-N19 110.496 3.37 . . . . 0.53000000000000003 . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.413 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.992 0 O4'-C1'-N19 110.684 3.605 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.49 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.381 1 O4'-C1'-N19 111.135 4.169 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.49 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.377 1 O4'-C1'-N19 111.588 4.735 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.461 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.528 3.409 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.529 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.763 1 O4'-C1'-N19 111.115 4.144 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.529 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.501 1 O4'-C1'-N19 111.315 4.393 . . . . 0.73999999999999999 . . . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.38 0 O4'-C1'-N19 110.252 3.065 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo . . . . . 0 N--CA 1.494 1.522 0 CA-C-O 120.999 0.333 . . . . 7.5599999999999996 111.854 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -77.42 151.08 34.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.033 -1.042 . . . . 7.46 109.213 -179.563 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.72 166.83 31.07 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.213 -0.929 . . . . 4.04 108.918 179.929 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -151.74 -60.06 0.16 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.2 -0.937 . . . . 4.4900000000000002 108.927 179.887 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' A' ' 14' ' ' ARG . 44.0 mtt-85 -88.66 104.09 16.54 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.445 -0.784 . . . . 0.79000000000000004 110.13 179.904 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.93 128.56 46.01 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.375 -0.828 . . . . 0.93000000000000005 110.512 179.818 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -92.83 4.66 53.44 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.36 -0.838 . . . . 2.1000000000000001 109.565 178.924 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.581 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 50.6 m-70 -80.74 -31.99 0.64 Allowed Pre-proline 0 N--CA 1.498 1.947 0 N-CA-C 113.384 0.883 . . . . 3.25 113.384 -177.534 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 76.9 Cg_exo -50.26 140.15 34.44 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 121.565 1.51 . . . . 1.0 111.951 -179.068 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -76.22 -179.55 5.36 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.201 1.934 . . . . 1.3700000000000001 111.337 179.837 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.3 31.31 63.74 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.248 -1.541 . . . . 1.3 109.248 -179.753 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 21' ' ' THR . 10.1 t -89.32 95.7 10.4 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.248 -1.148 . . . . 1.05 109.53 -179.333 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.34 141.71 38.23 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.188 -1.042 . . . . 2.5899999999999999 108.188 179.455 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -105.3 74.26 0.26 Allowed Pre-proline 0 N--CA 1.497 1.908 0 O-C-N 121.257 -0.902 . . . . 2.3199999999999998 111.039 -179.127 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -60.28 146.83 95.66 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.668 1.579 . . . . 0.85999999999999999 112.201 179.567 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.562 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.4 -16.77 61.84 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.286 -0.884 . . . . 3.7400000000000002 110.905 -179.06 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.2 m -71.31 -0.51 10.22 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.659 -1.275 . . . . 0.87 110.184 -179.569 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.493 ' NH1' ' N7 ' ' B' ' 107' ' ' ' DA' . 31.2 mmt180 -89.74 -64.0 1.2 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.077 -1.014 . . . . 1.0600000000000001 110.872 -178.998 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -88.82 -27.36 21.13 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.986 -1.071 . . . . 0.66000000000000003 111.195 -178.321 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -61.74 -38.39 87.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.669 -1.27 . . . . 2.8199999999999998 108.793 179.955 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.2 m -60.06 -31.03 69.61 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.603 -0.685 . . . . 0.44 110.689 -179.075 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -92.28 135.16 34.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.784 -1.197 . . . . 1.3 110.015 -178.785 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -113.28 149.37 41.36 Favored Pre-proline 0 N--CA 1.5 2.029 0 N-CA-C 109.116 -0.698 . . . . 2.0699999999999998 109.116 -179.833 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -38.93 152.41 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.117 1.878 . . . . 0.47999999999999998 112.065 -179.327 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -145.99 127.38 14.95 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.212 -0.93 . . . . 0.27000000000000002 109.856 -179.465 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.506 HG22 ' N ' ' A' ' 36' ' ' CYS . 77.0 m -108.21 159.03 16.93 Favored 'General case' 0 N--CA 1.499 1.978 0 CA-C-O 121.849 0.833 . . . . 0.39000000000000001 110.338 -179.699 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.506 ' N ' HG22 ' A' ' 35' ' ' THR . 2.6 t -93.98 128.4 41.41 Favored Pre-proline 0 C--N 1.304 -1.409 0 N-CA-C 108.79 -0.818 . . . . 0.41999999999999998 108.79 179.725 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.07 -5.73 16.06 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.036 1.824 . . . . 0.80000000000000004 112.278 -179.516 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.1 mt -97.82 -60.04 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.294 -0.879 . . . . 0.53000000000000003 110.079 -179.554 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.621 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.9 p -112.45 23.01 14.05 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.393 -0.817 . . . . 0.46999999999999997 110.826 -179.076 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 49.21 19.97 0.37 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.184 -0.947 . . . . 0.66000000000000003 111.065 178.821 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.621 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.58 138.23 56.98 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 107.058 -1.46 . . . . 0.38 107.058 178.167 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.7 t -95.75 115.95 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.18 -0.95 . . . . 0.41999999999999998 110.001 -178.844 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 42.8 mm -113.85 129.82 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 108.037 -1.098 . . . . 0.26000000000000001 108.037 178.809 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -74.07 -62.37 1.53 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.885 -1.135 . . . . 2.0499999999999998 111.245 -178.511 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.428 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 91.2 mt-30 -80.16 140.83 36.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.962 -1.086 . . . . 1.22 110.455 -179.743 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.9 p -66.83 -39.24 87.58 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.045 -1.034 . . . . 0.34999999999999998 110.073 179.904 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' NH1' ' O6 ' ' B' ' 106' ' ' ' DG' . 10.9 ptp180 -54.75 -36.96 65.35 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.654 -1.279 . . . . 0.85999999999999999 108.522 179.592 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 99.1 m-20 -67.06 -30.76 70.92 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.603 -0.685 . . . . 0.33000000000000002 109.336 -179.888 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.84 -42.47 89.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.155 -0.966 . . . . 0.37 108.912 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -59.24 -41.74 89.43 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.263 -1.014 . . . . 3.2400000000000002 108.263 -179.74 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -66.67 -32.54 73.92 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.351 -0.843 . . . . 0.45000000000000001 110.356 179.322 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -64.07 -43.29 95.9 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.158 -0.964 . . . . 0.33000000000000002 110.201 -179.217 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.9 mt -62.0 -39.83 93.59 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.207 -0.933 . . . . 0.44 110.385 -179.656 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.786 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 98.3 mt-10 -70.05 -29.38 66.38 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.231 -0.918 . . . . 2.0800000000000001 111.726 -178.507 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 59' ' ' ALA . 70.3 mt -98.81 -31.75 11.71 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.852 -1.155 . . . . 0.5 111.995 -178.312 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.545 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 21.3 mmm180 -107.14 8.84 30.35 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.003 -1.061 . . . . 2.21 112.199 -177.257 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.545 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.5 m-70 -155.31 -66.5 0.12 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 120.282 -1.511 . . . . 0.67000000000000004 111.148 179.451 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -79.55 7.18 8.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.746 -1.221 . . . . 0.88 109.581 -179.068 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -72.22 2.43 5.96 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.516 -0.74 . . . . 1.0700000000000001 109.042 178.981 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -87.31 155.37 54.47 Favored Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.265 -0.897 . . . . 3.6499999999999999 109.417 -179.121 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -48.34 162.83 0.29 Allowed 'Trans proline' 0 N--CA 1.488 1.197 0 C-N-CA 121.449 1.433 . . . . 2.3300000000000001 111.555 178.987 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.12 -1.21 32.71 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.492 -1.043 . . . . 3.27 110.492 -179.568 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 N--CA 1.496 1.829 0 O-C-N 121.146 -1.208 . . . . 5.1799999999999997 109.723 -179.863 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.445 0 O4'-C1'-N19 110.478 3.348 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.562 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.433 0 O4'-C1'-N19 110.252 3.065 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.562 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.788 0 O4'-C1'-N19 110.876 3.845 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.52 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.345 1 O4'-C1'-N19 111.104 4.13 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.52 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.715 1 O4'-C1'-N19 111.305 4.381 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.464 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.938 0 C3'-C2'-C1' 106.849 2.963 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.464 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.503 0 O4'-C1'-N19 110.757 3.696 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.539 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.937 3.921 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.539 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.884 0 O4'-C1'-N19 110.662 3.577 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.852 0 O4'-C1'-N19 110.472 3.341 . . . . 0.85999999999999999 . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.503 0 O4'-C1'-N19 110.702 3.628 . . . . 0.95999999999999996 . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.925 3.906 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.785 0 O4'-C1'-N19 110.345 3.181 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.051 1 O4'-C1'-N19 111.612 4.766 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.501 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.617 0 C3'-C2'-C1' 106.975 3.053 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.686 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.394 0 C3'-C2'-C1' 107.13 3.164 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.686 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.413 0 O4'-C1'-N19 110.861 3.826 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.455 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.611 1 O4'-C1'-N19 111.613 4.766 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.416 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.152 0 O4'-C1'-N19 110.938 3.922 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.868 0 O4'-C1'-N19 110.698 3.622 . . . . 0.68000000000000005 . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.831 0 O4'-C1'-N19 110.816 3.77 . . . . 0.73999999999999999 . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.419 3.274 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo . . . . . 0 N--CA 1.49 1.286 0 CA-C-O 121.194 0.414 . . . . 7.5599999999999996 112.259 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.613 ' NZ ' ' NZ ' ' A' ' 13' ' ' LYS . 7.8 mtpm? -148.37 67.03 1.07 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.228 -0.92 . . . . 7.46 109.629 179.813 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.68 133.27 49.04 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.29 -0.881 . . . . 4.04 109.417 179.84 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.613 ' NZ ' ' NZ ' ' A' ' 11' ' ' LYS . 10.7 ptpt -157.31 175.35 14.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.238 -0.914 . . . . 4.4900000000000002 109.291 -179.529 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.3 mtt-85 -81.43 92.75 6.49 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.878 -1.139 . . . . 0.79000000000000004 109.143 179.504 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.53 124.81 38.78 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.341 -0.849 . . . . 0.93000000000000005 109.378 179.764 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -92.94 10.09 32.75 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.156 -0.965 . . . . 2.1000000000000001 109.623 179.262 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.633 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 52.8 t-80 -82.68 -30.11 0.49 Allowed Pre-proline 0 N--CA 1.497 1.922 0 O-C-N 121.201 -0.937 . . . . 3.25 112.905 -178.471 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 78.0 Cg_exo -52.46 139.78 55.26 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.162 1.908 . . . . 1.0 113.07 -178.197 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.7 173.4 13.44 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.344 2.029 . . . . 1.3700000000000001 112.31 179.662 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.47 25.91 64.56 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 110.167 -1.173 . . . . 1.3 110.167 179.455 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 21' ' ' THR . 3.3 t -91.36 86.71 6.19 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.093 -1.24 . . . . 1.05 109.113 179.75 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -82.85 139.48 33.45 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.91 -1.144 . . . . 2.5899999999999999 107.91 179.132 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -89.19 112.63 52.35 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 121.05 -1.031 . . . . 2.3199999999999998 111.28 -178.673 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -86.36 136.42 4.73 Favored 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.285 1.99 . . . . 0.85999999999999999 111.323 178.181 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.64 -21.11 62.66 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.261 -0.899 . . . . 3.7400000000000002 110.618 -179.782 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 m -69.46 -2.23 10.63 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.125 -0.985 . . . . 0.87 109.717 -179.181 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' A' ' 27' ' ' ARG . 2.0 mmt-85 -107.72 -26.24 10.91 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 121.3 -0.875 . . . . 1.0600000000000001 111.026 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 p -109.97 -36.22 5.93 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 120.897 -1.127 . . . . 0.66000000000000003 109.121 -179.843 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -63.3 -35.65 81.06 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.35 -0.844 . . . . 2.8199999999999998 110.381 -179.858 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.0 m -60.31 -26.62 66.67 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.768 -1.207 . . . . 0.44 110.448 -179.46 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.494 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 68.9 mm-40 -80.79 135.18 35.92 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.21 -0.931 . . . . 1.3 109.908 -179.609 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -114.91 153.58 47.01 Favored Pre-proline 0 N--CA 1.506 2.368 0 O-C-N 121.342 -0.849 . . . . 2.0699999999999998 108.806 179.559 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -42.24 152.49 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.858 1.705 . . . . 0.47999999999999998 112.088 179.151 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.91 131.13 17.42 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.163 -0.96 . . . . 0.27000000000000002 109.375 179.692 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 36' ' ' CYS . 21.1 m -114.51 160.83 18.78 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.643 -0.66 . . . . 0.39000000000000001 109.766 -179.365 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 40' ' ' TYR . 5.4 t -105.4 101.09 29.44 Favored Pre-proline 0 N--CA 1.495 1.802 0 N-CA-C 109.248 -0.649 . . . . 0.41999999999999998 109.248 179.671 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.93 -3.23 0.43 Allowed 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 122.053 1.836 . . . . 0.80000000000000004 113.741 -179.685 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.1 mt -95.46 -50.78 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.846 -1.159 . . . . 0.53000000000000003 109.594 -178.977 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 13.7 p -121.03 8.14 10.39 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 109.027 -0.731 . . . . 0.46999999999999997 109.027 179.608 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' CYS . 88.3 m-85 59.22 20.97 9.05 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.894 -0.504 . . . . 0.66000000000000003 111.32 178.931 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.424 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.22 138.47 56.25 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.385 -1.447 . . . . 0.38 107.137 178.075 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -95.73 109.39 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.909 -1.119 . . . . 0.41999999999999998 109.797 -178.973 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' ALA . 37.9 mm -109.96 129.54 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 N-CA-C 108.806 -0.812 . . . . 0.26000000000000001 108.806 179.228 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.498 ' NH2' ' OP1' ' B' ' 105' ' ' ' DA' . 4.7 mtm180 -74.61 -56.22 5.05 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.835 -1.166 . . . . 2.0499999999999998 110.708 -179.343 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.516 ' OE1' ' ND2' ' A' ' 48' ' ' ASN . 98.5 mt-30 -78.43 130.15 35.75 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.841 -1.162 . . . . 1.22 110.45 -179.205 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.3 p -63.22 -39.78 95.6 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.226 -0.921 . . . . 0.34999999999999998 109.289 179.734 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.494 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -58.09 -41.46 83.51 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 118.552 -1.259 . . . . 0.85999999999999999 108.821 179.534 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.516 ' ND2' ' OE1' ' A' ' 45' ' ' GLN . 86.1 m-20 -60.84 -35.61 76.99 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.227 -0.921 . . . . 0.33000000000000002 109.687 179.866 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.86 -39.94 78.97 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.409 -0.959 . . . . 0.37 108.409 179.764 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -58.97 -40.68 85.5 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.82 -1.178 . . . . 3.2400000000000002 107.82 179.703 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.417 HH12 ' HA ' ' A' ' 48' ' ' ASN . 13.7 ttp-105 -65.93 -36.4 83.26 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.83 -0.748 . . . . 0.45000000000000001 109.006 178.833 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -65.54 -39.42 91.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.469 -0.769 . . . . 0.33000000000000002 110.585 -179.692 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 58' ' ' PHE . 84.9 mt -59.18 -40.5 85.89 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.609 -1.307 . . . . 0.44 109.212 -179.447 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 47.7 mt-10 -72.64 -24.48 61.06 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.218 -0.926 . . . . 2.0800000000000001 112.004 -179.447 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -88.68 -43.22 11.48 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.425 -1.422 . . . . 0.5 112.148 -177.279 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.6 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 29.2 mmm-85 -106.09 0.68 25.71 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.952 -1.093 . . . . 2.21 113.286 -176.919 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.6 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 46.5 m-70 -148.34 -65.34 0.25 Allowed 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.079 -1.638 . . . . 0.67000000000000004 111.491 -179.056 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 53' ' ' LEU . 39.6 m-85 -79.43 21.07 0.51 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.078 -1.014 . . . . 0.88 110.121 -178.746 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -68.63 5.47 1.06 Allowed 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.534 -0.729 . . . . 1.0700000000000001 109.668 -179.857 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.529 ' CD ' ' N ' ' A' ' 60' ' ' LYS . 2.0 mptp? -83.45 149.83 58.77 Favored Pre-proline 0 C--N 1.303 -1.431 0 O-C-N 121.234 -0.916 . . . . 3.6499999999999999 109.456 179.989 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.43 153.01 79.26 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.427 2.085 . . . . 2.3300000000000001 111.009 179.834 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.13 -169.15 31.25 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.893 -1.683 . . . . 3.27 108.893 -179.719 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.145 -1.209 . . . . 5.1799999999999997 109.129 -179.972 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.47 HO5' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.335 3.169 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.538 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.454 0 O4'-C1'-N19 110.379 3.224 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.538 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.794 3.742 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 O4'-C1'-N19 110.603 3.504 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.286 1 O4'-C1'-N19 111.502 4.627 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.506 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.473 0 O4'-C1'-N19 110.513 3.391 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.506 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.337 0 O4'-C1'-N19 110.441 3.302 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.512 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.411 1 O4'-C1'-N19 111.054 4.068 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.58 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.18 0 O4'-C1'-N19 110.601 3.501 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.58 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.42 0 O4'-C1'-N19 110.438 3.298 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.465 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.601 1 O4'-C1'-N19 111.039 4.049 . . . . 0.95999999999999996 . . . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . 0.489 HO5' ' H8 ' ' C' ' 112' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.511 0 O4'-C1'-N19 110.461 3.326 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.591 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.487 0 O4'-C1'-N19 110.883 3.854 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.591 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.559 0 O4'-C1'-N19 110.576 3.47 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.43 " O5'" H2'' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.988 0 O4'-C1'-N19 110.763 3.704 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 0 O4'-C1'-N19 110.363 3.204 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.537 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 111.124 4.156 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.537 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.223 1 O4'-C1'-N19 111.397 4.496 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.267 0 O4'-C1'-N19 110.837 3.797 . . . . 0.64000000000000001 . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.648 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.413 1 O4'-C1'-N19 111.238 4.298 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.648 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.205 1 O4'-C1'-N19 111.078 4.098 . . . . 0.73999999999999999 . . . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.373 0 O4'-C1'-N19 110.468 3.336 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 N--CA 1.495 1.592 0 CA-C-O 121.112 0.38 . . . . 7.5599999999999996 112.018 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -82.35 144.2 30.72 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.26 -0.9 . . . . 7.46 108.771 179.027 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.23 67.02 0.46 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.059 -1.026 . . . . 4.04 109.971 179.522 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -82.25 120.82 25.85 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.661 -0.866 . . . . 4.4900000000000002 108.661 179.388 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -89.18 92.55 9.23 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.988 -1.116 . . . . 0.79000000000000004 107.988 179.669 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.91 106.36 18.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.446 -0.784 . . . . 0.93000000000000005 110.467 -178.826 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -94.88 4.57 53.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.252 -0.905 . . . . 2.1000000000000001 110.148 179.059 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.599 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 6.7 t60 -83.08 -34.74 0.63 Allowed Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.195 -0.941 . . . . 3.25 112.187 -178.359 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 74.3 Cg_exo -50.84 155.8 5.33 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.843 1.695 . . . . 1.0 111.195 -179.122 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -57.91 165.42 6.67 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.411 2.074 . . . . 1.3700000000000001 112.089 -179.035 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.59 17.27 73.66 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.097 -1.201 . . . . 1.3 110.097 179.711 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.44 85.45 5.77 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.131 -1.217 . . . . 1.05 108.655 179.424 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -74.99 146.23 41.84 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.094 -1.004 . . . . 2.5899999999999999 108.932 -179.858 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -105.84 74.15 0.3 Allowed Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.388 -0.82 . . . . 2.3199999999999998 110.786 -179.291 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.32 138.63 51.68 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 C-N-CA 121.276 1.317 . . . . 0.85999999999999999 111.259 179.15 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.5 ' HG2' HH11 ' A' ' 25' ' ' ARG . 6.4 mmt-85 -71.37 -4.31 25.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.322 -0.862 . . . . 3.7400000000000002 110.053 -179.29 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.3 m -69.54 -2.78 12.3 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.135 -0.978 . . . . 0.87 109.658 -179.909 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.512 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 19.9 mmt180 -106.13 -26.65 11.5 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.16 -0.962 . . . . 1.0600000000000001 110.037 -179.158 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 p -105.91 -28.71 10.43 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.32 -0.862 . . . . 0.66000000000000003 109.802 -179.451 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -66.37 -38.75 88.29 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.125 -0.984 . . . . 2.8199999999999998 109.324 179.591 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.0 m -57.21 -31.64 65.69 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.439 -0.788 . . . . 0.44 109.627 -179.583 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -95.79 142.21 28.34 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.571 0.7 . . . . 1.3 110.09 -179.449 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -116.78 151.43 47.27 Favored Pre-proline 0 N--CA 1.494 1.755 0 N-CA-C 107.627 -1.249 . . . . 2.0699999999999998 107.627 179.228 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -38.2 154.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 121.873 1.715 . . . . 0.47999999999999998 112.035 179.722 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.76 137.87 26.76 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.005 -1.059 . . . . 0.27000000000000002 109.964 179.604 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.7 m -114.91 148.99 37.93 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.417 -0.802 . . . . 0.39000000000000001 110.153 -179.462 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.0 t -86.14 126.31 65.52 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 108.77 -0.826 . . . . 0.41999999999999998 108.77 179.776 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.73 -0.45 10.2 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 121.129 1.22 . . . . 0.80000000000000004 112.373 -179.709 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -104.11 -53.31 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.222 -0.923 . . . . 0.53000000000000003 110.898 -179.588 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.4 p -118.08 17.04 14.13 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.264 -0.898 . . . . 0.46999999999999997 110.186 -179.497 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 55.05 14.72 1.01 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.548 -0.72 . . . . 0.66000000000000003 111.435 178.979 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -55.54 136.92 49.71 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.47 -1.394 . . . . 0.38 107.931 178.739 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.79 116.34 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.985 -1.072 . . . . 0.41999999999999998 109.583 -179.093 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.1 mm -109.85 128.51 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.278 -1.379 . . . . 0.26000000000000001 107.278 178.425 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.447 ' HG2' HH11 ' A' ' 44' ' ' ARG . 16.6 mtt-85 -71.44 -59.75 2.6 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.125 -0.984 . . . . 2.0499999999999998 110.385 -178.768 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -83.81 139.93 32.37 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.125 -0.984 . . . . 1.22 111.043 -179.325 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -65.76 -36.28 83.11 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.264 -0.898 . . . . 0.34999999999999998 110.426 179.4 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -59.81 -38.98 83.51 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.679 -1.263 . . . . 0.85999999999999999 108.795 -179.75 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.06 -28.9 69.19 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.282 -0.886 . . . . 0.33000000000000002 108.945 179.289 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.4 tp -58.94 -45.1 91.26 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.117 -0.989 . . . . 0.37 109.256 -179.866 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.403 ' HG3' ' NH1' ' A' ' 50' ' ' ARG . 42.7 ttm-85 -60.02 -40.07 88.03 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.764 -1.21 . . . . 3.2400000000000002 108.596 179.703 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -64.8 -36.9 85.8 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.605 -0.685 . . . . 0.45000000000000001 109.402 179.596 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -63.19 -41.58 99.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.376 -0.828 . . . . 0.33000000000000002 109.577 -179.962 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.41 -41.62 94.3 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.08 -1.013 . . . . 0.44 109.437 179.759 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.886 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.0 mm-40 -73.61 -24.41 60.04 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.516 -0.74 . . . . 2.0800000000000001 112.274 -179.219 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.456 ' HA ' ' HB2' ' A' ' 59' ' ' ALA . 90.4 mt -100.58 -38.21 8.45 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.987 -1.071 . . . . 0.5 112.023 -178.037 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 17.5 mmm180 -103.19 12.92 35.09 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.987 -1.07 . . . . 2.21 112.277 -177.0 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.3 m-70 -154.5 -65.81 0.13 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.168 -1.582 . . . . 0.67000000000000004 111.425 179.49 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -81.52 1.42 33.58 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.047 -1.033 . . . . 0.88 110.267 -178.755 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.886 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -72.25 -8.9 57.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.183 -0.948 . . . . 1.0700000000000001 108.859 179.503 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -90.3 149.17 40.7 Favored Pre-proline 0 N--CA 1.498 1.933 0 O-C-N 121.427 -0.795 . . . . 3.6499999999999999 109.456 -179.845 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.38 128.37 10.38 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 121.749 1.632 . . . . 2.3300000000000001 111.925 179.383 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.03 -82.45 0.05 OUTLIER Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.522 -1.431 . . . . 3.27 109.522 179.896 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.499 1.984 0 O-C-N 121.186 -1.185 . . . . 5.1799999999999997 109.247 179.812 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.528 0 O4'-C1'-N19 110.318 3.147 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.619 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.707 1 O4'-C1'-N19 111.052 4.065 . . . . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.619 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.298 0 C3'-C2'-C1' 106.675 2.839 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.518 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.515 1 O4'-C1'-N19 111.113 4.142 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.524 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.529 2.27 1 O4'-C1'-N19 111.099 4.124 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.505 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.701 0 O4'-C1'-N19 110.185 2.982 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . 0.505 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.168 0 O4'-C1'-N19 110.794 3.743 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.538 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.696 1 O4'-C1'-N19 111.417 4.521 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.493 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.821 1 O4'-C1'-N19 111.08 4.101 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.493 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.404 1 O4'-C1'-N19 111.041 4.051 . . . . 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.94 0 O4'-C1'-N19 110.913 3.891 . . . . 0.95999999999999996 . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.086 0 O4'-C1'-N19 110.817 3.771 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.725 0 C3'-C2'-C1' 106.944 3.032 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.606 1 O4'-C1'-N19 111.162 4.202 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.611 0 C3'-C2'-C1' 107.15 3.178 . . . . 0.53000000000000003 . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.478 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.959 0 O4'-C1'-N19 110.892 3.864 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.604 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.589 1 O4'-C1'-N19 111.433 4.541 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.604 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.967 1 O4'-C1'-N19 111.889 5.111 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.56 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.827 3.783 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.56 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.496 1 O4'-C1'-N19 111.163 4.203 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.42 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.755 1 O4'-C1'-N19 111.008 4.01 . . . . 0.73999999999999999 . . . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.43 0 O4'-C1'-N19 110.491 3.364 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo . . . . . 0 N--CA 1.493 1.497 0 CA-C-O 121.082 0.367 . . . . 7.5599999999999996 112.581 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -80.79 2.66 25.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.081 -1.012 . . . . 7.46 109.152 -179.517 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.73 169.17 15.05 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.253 -0.904 . . . . 4.04 108.66 179.538 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -80.07 155.09 27.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.758 -1.214 . . . . 4.4900000000000002 109.691 179.895 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -84.82 107.89 17.21 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.091 -1.006 . . . . 0.79000000000000004 109.564 -179.816 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.24 105.77 17.75 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.419 -0.801 . . . . 0.93000000000000005 110.217 179.775 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -92.53 12.87 21.49 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.422 -0.799 . . . . 2.1000000000000001 109.423 179.122 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.618 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.9 m170 -81.67 -30.18 0.53 Allowed Pre-proline 0 N--CA 1.497 1.877 0 N-CA-C 113.325 0.861 . . . . 3.25 113.325 -178.509 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 69.0 Cg_exo -52.3 155.18 9.81 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.308 2.006 . . . . 1.0 112.476 -178.864 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.74 174.19 4.83 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.401 2.068 . . . . 1.3700000000000001 111.909 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.64 10.99 85.88 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.823 -1.311 . . . . 1.3 109.823 -179.996 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 21' ' ' THR . 9.9 t -92.94 86.58 5.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -1.181 . . . . 1.05 109.176 -179.752 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -80.63 153.56 27.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.059 -1.026 . . . . 2.5899999999999999 109.69 -179.978 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -105.5 70.89 0.22 Allowed Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 122.013 -0.43 . . . . 2.3199999999999998 110.17 -179.814 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -63.2 135.35 50.15 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.056 1.837 . . . . 0.85999999999999999 111.106 179.474 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.562 ' HG2' HH11 ' A' ' 25' ' ' ARG . 4.7 mmt-85 -70.04 -5.94 30.1 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.309 -0.869 . . . . 3.7400000000000002 110.569 -179.212 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.6 m -72.55 -3.88 27.29 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.625 -1.297 . . . . 0.87 109.723 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.538 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 28.6 mmt180 -106.41 -26.4 11.48 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.246 -0.909 . . . . 1.0600000000000001 109.167 179.692 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.9 p -106.69 -32.17 8.12 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.47 -0.768 . . . . 0.66000000000000003 109.531 179.785 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -61.0 -37.67 83.34 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.954 -1.091 . . . . 2.8199999999999998 108.188 179.051 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.3 m -59.96 -29.91 68.73 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.482 -0.761 . . . . 0.44 109.075 179.3 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -83.38 135.44 34.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.188 -0.945 . . . . 1.3 109.462 179.542 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -116.32 151.48 46.88 Favored Pre-proline 0 N--CA 1.499 2.004 0 N-CA-C 108.303 -0.999 . . . . 2.0699999999999998 108.303 179.105 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -41.5 157.42 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.058 1.839 . . . . 0.47999999999999998 111.934 179.396 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.35 130.95 17.82 Favored 'General case' 0 N--CA 1.507 2.396 0 O-C-N 120.872 -1.142 . . . . 0.27000000000000002 110.97 -179.75 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.3 m -116.93 140.73 49.12 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 121.389 -0.82 . . . . 0.39000000000000001 110.066 179.163 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.7 t -82.01 123.72 79.59 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.389 -0.819 . . . . 0.41999999999999998 109.302 179.569 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.4 1.14 7.71 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.413 1.409 . . . . 0.80000000000000004 112.774 -179.626 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.3 mt -104.97 -46.57 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.052 -1.03 . . . . 0.53000000000000003 110.316 -179.576 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.9 p -125.63 18.63 8.04 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.47 -0.769 . . . . 0.46999999999999997 110.255 -179.776 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 52.84 18.31 1.03 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.494 -0.754 . . . . 0.66000000000000003 111.623 178.527 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.46 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.63 132.07 52.12 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 107.014 -1.476 . . . . 0.38 107.014 178.125 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 t -93.14 113.23 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.758 -1.214 . . . . 0.41999999999999998 110.185 -178.802 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 34' ' ' ALA . 41.9 mm -108.92 131.39 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 108.186 -1.042 . . . . 0.26000000000000001 108.186 179.25 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' HG2' HH11 ' A' ' 44' ' ' ARG . 24.3 mtt-85 -74.62 -59.46 2.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.616 -1.303 . . . . 2.0499999999999998 110.7 -179.172 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.687 HE22 ' NH2' ' A' ' 47' ' ' ARG . 73.6 mt-30 -81.93 138.19 35.03 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.212 -0.93 . . . . 1.22 110.22 -179.048 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.7 p -66.94 -38.76 86.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.298 -0.876 . . . . 0.34999999999999998 110.038 -179.464 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.687 ' NH2' HE22 ' A' ' 45' ' ' GLN . 30.6 ptt180 -53.75 -43.67 69.36 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.848 -1.157 . . . . 0.85999999999999999 108.43 179.494 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 95.7 m-20 -62.17 -31.75 72.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.512 -0.742 . . . . 0.33000000000000002 109.802 179.638 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.8 tp -60.11 -42.13 94.08 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 120.999 -1.063 . . . . 0.37 109.4 -179.987 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.561 ' HG2' HH11 ' A' ' 50' ' ' ARG . 19.8 mtt-85 -59.18 -37.4 77.3 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.519 -1.289 . . . . 3.2400000000000002 107.519 179.585 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 45.5 ttp180 -68.25 -37.42 80.75 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.111 -0.7 . . . . 0.45000000000000001 109.111 178.838 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -62.71 -39.91 95.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.316 -0.865 . . . . 0.33000000000000002 109.431 179.84 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.58 -43.19 97.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.943 -1.098 . . . . 0.44 110.173 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.704 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 79.9 mm-40 -72.7 -26.8 61.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.002 -1.062 . . . . 2.0800000000000001 112.12 -178.827 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.0 mt -90.34 -38.77 13.13 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.469 -1.395 . . . . 0.5 112.085 -177.387 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.563 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.6 mmm180 -108.42 8.56 27.52 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.072 -1.017 . . . . 2.21 113.316 -176.911 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 85.2 m-70 -152.56 -69.68 0.16 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 119.943 -1.723 . . . . 0.67000000000000004 111.38 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.47 ' C ' ' H ' ' A' ' 60' ' ' LYS . 56.8 m-85 -81.54 20.94 0.84 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.18 -0.95 . . . . 0.88 109.724 -178.906 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.49 11.71 0.44 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.43 -0.794 . . . . 1.0700000000000001 109.222 -179.815 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 58' ' ' PHE . 61.7 mttp -84.84 149.97 54.86 Favored Pre-proline 0 N--CA 1.491 1.581 0 N-CA-C 108.494 -0.928 . . . . 3.6499999999999999 108.494 179.925 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.8 155.18 55.95 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.27 1.98 . . . . 2.3300000000000001 112.049 -179.339 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.53 161.65 54.43 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 108.954 -1.658 . . . . 3.27 108.954 179.625 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.9 m . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.381 -1.07 . . . . 5.1799999999999997 109.241 -179.759 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.701 3.627 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.524 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.861 0 C3'-C2'-C1' 106.799 2.928 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.502 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.778 3.722 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.713 1 O4'-C1'-N19 111.021 4.026 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.652 1 O4'-C1'-N19 111.378 4.473 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.09 0 O4'-C1'-N19 110.354 3.192 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 1.81 0 O4'-C1'-N19 110.987 3.983 . . . . 0.69999999999999996 . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.495 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.445 0 O4'-C1'-N19 110.521 3.401 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.557 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.43 0 O4'-C1'-N19 110.629 3.536 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.557 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.14 0 O4'-C1'-N19 110.376 3.22 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.528 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.735 1 O4'-C1'-N19 111.054 4.068 . . . . 0.95999999999999996 . . . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.603 3.503 . . . . 0.90000000000000002 . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.528 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.77 0 O4'-C1'-N19 110.331 3.164 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.528 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.782 0 O4'-C1'-N19 110.311 3.139 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.191 0 C3'-C2'-C1' 106.883 2.988 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.437 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O4'-C1'-N19 110.821 3.777 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.481 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.464 1 O4'-C1'-N19 111.458 4.572 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.541 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.667 1 O4'-C1'-N19 111.488 4.61 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.541 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.552 0 O4'-C1'-N19 110.799 3.748 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.545 ' N2 ' ' C2 ' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.359 0 O4'-C1'-N19 110.896 3.87 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.545 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.993 0 O4'-C1'-N19 110.845 3.806 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.5 3.376 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo . . . . . 0 N--CA 1.491 1.328 0 CA-C-O 121.587 0.578 . . . . 7.5599999999999996 112.229 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -84.2 146.08 28.01 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.514 -0.741 . . . . 7.46 109.638 179.768 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.7 -168.66 2.33 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.111 -0.993 . . . . 4.04 109.454 179.844 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -87.2 141.85 28.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.19 -0.944 . . . . 4.4900000000000002 109.482 179.687 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -86.52 98.14 10.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.177 -0.952 . . . . 0.79000000000000004 109.377 -179.657 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.74 129.22 40.16 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.133 -0.979 . . . . 0.93000000000000005 111.022 -179.353 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -89.77 18.42 5.6 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 109.166 -0.679 . . . . 2.1000000000000001 109.166 178.445 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.628 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 27.7 m170 -77.26 -31.14 0.83 Allowed Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.333 -0.854 . . . . 3.25 111.52 -179.322 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.6 Cg_exo -54.16 149.61 35.46 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.605 1.537 . . . . 1.0 111.725 -179.496 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -76.95 171.71 17.48 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.267 1.978 . . . . 1.3700000000000001 112.864 -179.483 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.56 29.63 47.89 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 110.59 -1.004 . . . . 1.3 110.59 179.589 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 21' ' ' THR . 9.5 t -91.38 90.92 7.9 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.11 -1.229 . . . . 1.05 110.112 179.907 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -84.72 149.24 25.92 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.622 -0.881 . . . . 2.5899999999999999 108.622 178.89 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -105.21 81.37 0.61 Allowed Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.683 -0.636 . . . . 2.3199999999999998 109.537 179.858 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.9 136.09 40.26 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.044 1.163 . . . . 0.85999999999999999 110.778 179.433 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -67.65 -11.13 57.56 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.462 -0.774 . . . . 3.7400000000000002 110.16 -178.53 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.1 m -72.47 -5.35 36.17 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.98 -1.075 . . . . 0.87 110.639 -179.464 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 24.5 mmt-85 -102.5 -27.66 12.65 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.09 -1.007 . . . . 1.0600000000000001 109.836 -179.859 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.2 p -100.52 -30.61 11.7 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.92 -1.113 . . . . 0.66000000000000003 110.068 -179.219 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -72.93 -30.39 63.85 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.291 -0.88 . . . . 2.8199999999999998 109.923 178.848 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.2 m -54.9 -32.64 61.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.024 -1.047 . . . . 0.44 109.794 -179.475 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -96.19 151.52 19.42 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.053 -1.029 . . . . 1.3 110.308 -179.851 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -118.08 153.15 51.2 Favored Pre-proline 0 N--CA 1.496 1.857 0 N-CA-C 107.339 -1.356 . . . . 2.0699999999999998 107.339 178.257 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -47.93 151.25 3.98 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 121.507 1.471 . . . . 0.47999999999999998 111.297 -179.134 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -141.26 136.4 31.6 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.205 -0.934 . . . . 0.27000000000000002 110.032 -179.013 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.1 m -114.25 145.12 42.15 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 121.56 0.695 . . . . 0.39000000000000001 109.473 179.852 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -79.98 129.15 71.39 Favored Pre-proline 0 N--CA 1.492 1.647 0 N-CA-C 108.536 -0.913 . . . . 0.41999999999999998 108.536 179.259 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.09 -2.0 12.13 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.606 1.537 . . . . 0.80000000000000004 112.42 -179.252 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.9 mt -102.27 -61.28 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.559 -0.713 . . . . 0.53000000000000003 110.216 -179.561 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.6 p -110.5 17.51 20.7 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.887 -1.133 . . . . 0.46999999999999997 110.756 -179.321 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 55.78 16.47 2.03 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.505 -0.747 . . . . 0.66000000000000003 111.33 178.504 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.78 136.78 56.97 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 107.269 -1.382 . . . . 0.38 107.269 178.402 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 t -94.08 117.82 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.895 -1.128 . . . . 0.41999999999999998 110.24 -178.686 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.6 mm -113.61 128.16 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 108.115 -1.069 . . . . 0.26000000000000001 108.115 178.532 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' HG2' HH11 ' A' ' 44' ' ' ARG . 26.2 mtt-85 -72.37 -59.99 2.45 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.837 -1.164 . . . . 2.0499999999999998 111.076 -178.101 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -78.04 139.89 39.12 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.031 -1.043 . . . . 1.22 110.079 -179.273 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.4 p -66.38 -36.9 84.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.425 -0.797 . . . . 0.34999999999999998 109.598 179.699 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.494 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 10.1 ptp180 -58.44 -44.15 89.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.098 -1.002 . . . . 0.85999999999999999 108.505 -179.827 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.494 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 97.6 m-20 -63.7 -27.28 69.1 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.524 -0.735 . . . . 0.33000000000000002 109.98 179.733 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.4 tp -59.48 -49.92 75.93 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.619 -1.301 . . . . 0.37 109.186 -179.469 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.441 HH11 ' HG3' ' A' ' 50' ' ' ARG . 31.7 ttm-85 -58.64 -40.32 83.06 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 118.562 -1.255 . . . . 3.2400000000000002 108.733 -179.062 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -60.89 -38.45 85.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.333 -0.854 . . . . 0.45000000000000001 109.223 178.802 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -60.8 -35.46 76.53 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.028 -0.73 . . . . 0.33000000000000002 109.028 179.729 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.6 -44.53 93.35 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.159 -0.963 . . . . 0.44 109.436 179.786 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.669 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.0 mm-40 -72.99 -24.92 60.82 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.195 -0.94 . . . . 2.0800000000000001 112.446 -179.117 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.3 mt -88.52 -46.38 9.14 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.318 -1.488 . . . . 0.5 112.263 -177.33 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.517 ' NH2' ' OP1' ' B' ' 102' ' ' ' DC' . 3.7 mmp_? -105.94 17.27 23.89 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 120.934 -1.104 . . . . 2.21 112.627 -176.966 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -152.04 -74.96 0.14 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.204 -1.56 . . . . 0.67000000000000004 109.956 179.103 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -80.96 18.21 1.06 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.444 -0.785 . . . . 0.88 110.224 -179.297 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -70.49 -0.55 8.65 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.33 -0.856 . . . . 1.0700000000000001 109.175 179.822 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -87.05 155.86 55.04 Favored Pre-proline 0 N--CA 1.49 1.56 0 N-CA-C 108.395 -0.965 . . . . 3.6499999999999999 108.395 179.584 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -46.24 137.46 14.05 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 121.614 1.543 . . . . 2.3300000000000001 111.413 -179.996 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.71 137.37 46.67 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.031 -1.627 . . . . 3.27 109.031 -179.954 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.496 1.862 0 O-C-N 121.173 -1.192 . . . . 5.1799999999999997 110.038 -179.312 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.917 0 O4'-C1'-N19 110.542 3.428 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.492 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.387 0 O4'-C1'-N19 110.494 3.367 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.492 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.482 0 O4'-C1'-N19 110.646 3.558 . . . . 0.65000000000000002 . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.435 ' C2 ' ' C2 ' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.32 1 O4'-C1'-N19 111.152 4.189 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.477 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.532 2.682 1 O4'-C1'-N19 112.181 5.476 . . . . 0.40999999999999998 . . . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.46 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.647 0 C3'-C2'-C1' 106.763 2.902 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.69 3.612 . . . . 0.69999999999999996 . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.402 ' O6 ' ' CZ ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.791 1 O4'-C1'-N19 111.558 4.698 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.476 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.592 0 O4'-C1'-N19 110.831 3.789 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.574 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.287 0 O4'-C1'-N19 110.692 3.615 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.574 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.905 0 O4'-C1'-N19 110.786 3.732 . . . . 0.95999999999999996 . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 1 O4'-C1'-N19 111.101 4.127 . . . . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . 0.491 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.871 0 C3'-C2'-C1' 107.116 3.154 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . 0.491 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.402 1 O4'-C1'-N19 111.023 4.029 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . 0.421 ' N3 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.366 0 C3'-C2'-C1' 106.776 2.911 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.546 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.115 0 O4'-C1'-N19 110.452 3.315 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.558 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.516 1 O4'-C1'-N19 111.127 4.158 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.558 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.333 1 O4'-C1'-N19 111.063 4.079 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.585 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.11 0 O4'-C1'-N19 110.887 3.858 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.585 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.256 1 O4'-C1'-N19 111.173 4.216 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.459 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.516 0 O4'-C1'-N19 110.724 3.655 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . 0.524 ' H6 ' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.768 0 C3'-C2'-C1' 107.03 3.093 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo . . . . . 0 N--CA 1.494 1.535 0 CA-C-O 121.257 0.44 . . . . 7.5599999999999996 111.656 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -84.05 139.9 32.19 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.339 -0.85 . . . . 7.46 110.252 -178.923 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.38 120.25 14.9 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.085 -1.009 . . . . 4.04 109.329 179.955 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -85.66 121.07 27.81 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.758 -1.214 . . . . 4.4900000000000002 109.588 179.916 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' NH1' ' O2 ' ' C' ' 117' ' ' ' DC' . 96.1 mtt180 -87.23 93.57 9.42 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.014 -1.054 . . . . 0.79000000000000004 109.437 179.787 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.19 122.82 35.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.222 -0.924 . . . . 0.93000000000000005 109.751 179.903 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -93.2 15.6 15.0 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.338 -0.851 . . . . 2.1000000000000001 109.59 179.0 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.639 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 39.2 t-80 -80.34 -31.41 0.64 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.296 -0.877 . . . . 3.25 112.317 -178.45 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 83.1 Cg_exo -51.63 146.33 27.14 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.996 1.797 . . . . 1.0 112.278 -178.628 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.41 174.16 12.26 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.303 2.002 . . . . 1.3700000000000001 112.373 179.271 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.57 28.87 66.63 Favored Glycine 0 N--CA 1.489 2.208 0 C-N-CA 119.971 -1.109 . . . . 1.3 110.498 179.317 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -90.94 87.73 6.74 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.886 -1.361 . . . . 1.05 109.297 179.872 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -80.25 139.69 36.57 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.338 -0.986 . . . . 2.5899999999999999 108.338 179.012 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -90.31 112.57 53.44 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.321 -0.862 . . . . 2.3199999999999998 110.446 -179.238 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -85.78 133.42 4.33 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.076 1.851 . . . . 0.85999999999999999 111.466 179.207 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -69.05 -10.93 60.04 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.118 -0.989 . . . . 3.7400000000000002 110.155 -179.498 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -71.43 -6.64 41.81 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.059 -1.025 . . . . 0.87 109.326 179.364 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.562 HH11 ' HG2' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -104.14 -25.53 12.91 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.237 -0.915 . . . . 1.0600000000000001 109.882 179.67 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -105.11 -35.89 7.46 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.378 -0.826 . . . . 0.66000000000000003 109.309 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -60.42 -33.84 73.08 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.387 -0.82 . . . . 2.8199999999999998 108.941 179.581 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -67.64 -22.22 65.33 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.673 -0.642 . . . . 0.44 109.636 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -91.44 138.41 31.6 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.266 -0.896 . . . . 1.3 110.089 -178.859 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.6 mp0 -120.28 153.28 55.73 Favored Pre-proline 0 N--CA 1.503 2.208 0 O-C-N 121.52 -0.737 . . . . 2.0699999999999998 109.1 179.725 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -44.29 151.81 0.5 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.754 1.636 . . . . 0.47999999999999998 111.639 179.602 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 43' ' ' ILE . . . -147.06 127.58 14.11 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.438 -0.789 . . . . 0.27000000000000002 109.474 -179.981 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.7 m -110.62 152.56 26.32 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.316 -0.865 . . . . 0.39000000000000001 109.782 -179.579 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.7 t -87.66 128.63 53.81 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.946 . . . . 0.41999999999999998 109.325 -179.965 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.34 -0.68 10.36 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 121.4 1.4 . . . . 0.80000000000000004 113.012 -179.632 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.9 mt -105.65 -60.56 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 121.027 -1.045 . . . . 0.53000000000000003 111.116 -179.306 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.2 p -108.98 15.27 23.53 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.193 -0.942 . . . . 0.46999999999999997 110.097 -178.652 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 55.07 20.29 3.19 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.477 -0.765 . . . . 0.66000000000000003 111.329 179.58 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.588 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.0 135.83 57.75 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.433 -1.321 . . . . 0.38 107.433 178.12 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 t -94.7 113.47 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.939 -1.1 . . . . 0.41999999999999998 110.349 -178.692 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 34' ' ' ALA . 33.6 mm -110.75 129.89 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 N-CA-C 107.664 -1.236 . . . . 0.26000000000000001 107.664 177.908 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.566 ' HG2' HH11 ' A' ' 44' ' ' ARG . 19.6 mtt-85 -72.37 -60.13 2.38 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.828 -1.17 . . . . 2.0499999999999998 110.278 -179.072 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.525 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 86.5 mt-30 -77.97 137.86 38.54 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.918 -1.114 . . . . 1.22 110.691 -179.092 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.5 p -67.82 -37.78 82.41 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.545 -0.722 . . . . 0.34999999999999998 110.686 -179.718 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.525 ' NH2' ' OE1' ' A' ' 45' ' ' GLN . 26.3 ptt180 -59.92 -38.36 82.13 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.048 -1.032 . . . . 0.85999999999999999 108.972 -179.437 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.413 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 86.1 m-20 -68.06 -28.49 67.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.232 -0.918 . . . . 0.33000000000000002 109.204 179.358 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.07 -45.99 91.06 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.371 -0.831 . . . . 0.37 109.662 179.766 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -59.74 -39.17 83.85 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.572 -1.27 . . . . 3.2400000000000002 107.572 -179.706 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -63.63 -35.47 80.64 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.747 -0.781 . . . . 0.45000000000000001 108.958 178.534 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -63.48 -35.94 82.13 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.463 -0.773 . . . . 0.33000000000000002 109.048 -179.959 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.91 -40.95 90.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.44 -0.788 . . . . 0.44 109.223 179.443 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.849 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.3 mm-40 -74.21 -22.97 59.15 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.218 -0.927 . . . . 2.0800000000000001 111.991 -179.127 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.5 mt -92.67 -44.61 8.47 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 120.545 -1.347 . . . . 0.5 112.522 -178.179 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.526 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 16.4 mmm180 -105.13 16.46 25.77 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.774 -1.204 . . . . 2.21 112.685 -177.251 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.526 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.7 m-70 -152.52 -71.29 0.15 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.28 -1.513 . . . . 0.67000000000000004 111.145 179.945 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -79.86 9.23 5.52 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.154 -0.966 . . . . 0.88 109.68 -179.12 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.849 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -73.23 6.43 2.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.338 -0.852 . . . . 1.0700000000000001 109.324 179.87 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -84.7 151.54 58.5 Favored Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 121.25 -0.906 . . . . 3.6499999999999999 109.308 -179.965 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -46.59 168.35 0.06 OUTLIER 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 121.961 1.774 . . . . 2.3300000000000001 112.801 179.249 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -149.99 -126.93 1.46 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.232 -1.547 . . . . 3.27 109.232 -179.862 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.9 t . . . . . 0 N--CA 1.497 1.876 0 O-C-N 121.233 -1.157 . . . . 5.1799999999999997 109.248 179.843 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.868 -0.419 . . . . 0.93 109.868 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -92.14 11.68 24.7 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 107.94 -1.133 . . . . 2.1 107.94 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.602 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 8.4 t-80 -82.16 -31.59 0.56 Allowed Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.492 -0.755 . . . . 3.25 112.912 -177.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.9 Cg_exo -53.15 154.23 14.43 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.861 1.707 . . . . 1.0 112.158 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.72 164.67 34.65 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.448 2.099 . . . . 1.37 112.467 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.28 37.73 47.58 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 109.509 -1.437 . . . . 1.3 109.509 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.752 ' O ' HG23 ' A' ' 21' ' ' THR . 11.0 t -93.29 85.38 4.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.113 -1.227 . . . . 1.05 108.555 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -81.79 144.36 31.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.943 -1.098 . . . . 2.59 109.286 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -106.67 76.61 0.44 Allowed Pre-proline 0 N--CA 1.495 1.775 0 O-C-N 121.522 -0.736 . . . . 2.32 110.211 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.35 142.71 41.7 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.849 1.7 . . . . 0.86 111.679 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -73.53 -5.85 42.77 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.43 -0.794 . . . . 3.74 109.545 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 m -66.77 -1.87 4.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.036 -1.04 . . . . 0.87 109.194 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -105.7 -27.76 11.12 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.159 -0.963 . . . . 1.06 109.07 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.1 p -101.66 -35.05 9.24 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.484 -0.76 . . . . 0.66 109.049 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -59.55 -39.48 84.13 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.504 -0.747 . . . . 2.82 109.813 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.6 m -60.18 -29.76 68.9 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.232 -0.918 . . . . 0.44 111.28 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.452 ' CG ' HH21 ' A' ' 47' ' ' ARG . 81.2 mm-40 -95.15 145.4 25.04 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.86 -1.15 . . . . 1.3 110.185 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -119.05 151.72 50.93 Favored Pre-proline 0 N--CA 1.5 2.04 0 N-CA-C 108.33 -0.989 . . . . 2.07 108.33 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -38.93 156.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.159 0 C-N-CA 121.865 1.71 . . . . 0.48 112.04 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.503 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -147.49 135.99 21.77 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.181 -0.949 . . . . 0.27 110.035 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 m -116.4 149.65 39.06 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.706 -0.621 . . . . 0.39 109.524 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.2 t -88.11 127.24 58.17 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 121.311 -0.868 . . . . 0.42 108.669 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.15 -6.17 17.62 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 121.111 1.208 . . . . 0.8 111.911 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.8 mt -97.2 -55.92 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.236 -0.915 . . . . 0.53 111.118 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.9 p -115.63 15.64 16.54 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.327 -0.858 . . . . 0.47 109.891 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 55.3 19.98 3.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.503 -0.748 . . . . 0.66 111.054 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.606 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.33 140.04 57.33 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.332 -1.359 . . . . 0.38 107.332 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.63 111.62 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 O-C-N 120.848 -1.157 . . . . 0.42 110.988 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.0 mm -109.62 129.99 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 N-CA-C 107.758 -1.201 . . . . 0.26 107.758 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -70.86 -56.39 6.4 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.914 -1.116 . . . . 2.05 111.281 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.46 133.22 35.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.331 -0.856 . . . . 1.22 111.032 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -61.99 -36.97 83.1 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.359 -0.838 . . . . 0.35 109.669 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.5 ptp180 -60.17 -43.04 96.15 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.586 -1.321 . . . . 0.86 108.756 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.459 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 96.2 m-20 -64.49 -28.68 69.82 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.325 -0.859 . . . . 0.33 109.381 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.503 HD22 ' HB1' ' A' ' 34' ' ' ALA . 54.5 tp -59.44 -45.33 91.88 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.836 -1.165 . . . . 0.37 109.342 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -58.29 -41.97 85.54 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.983 -1.073 . . . . 3.24 109.196 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -62.05 -37.37 84.71 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.404 -0.81 . . . . 0.45 109.33 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -61.39 -32.87 72.81 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.238 -0.914 . . . . 0.33 108.923 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.7 mt -60.01 -49.26 78.38 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.085 -1.009 . . . . 0.44 109.115 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.637 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 14.6 mp0 -70.45 -24.42 62.88 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.085 -1.009 . . . . 2.08 111.05 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.26 -59.66 2.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.657 -1.277 . . . . 0.5 111.681 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.423 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 18.8 mmm180 -103.53 21.03 16.8 Favored 'General case' 0 N--CA 1.511 2.622 0 O-C-N 120.673 -1.267 . . . . 2.21 113.156 -177.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 91.8 m-70 -150.9 -73.26 0.16 Allowed 'General case' 0 N--CA 1.509 2.486 0 O-C-N 119.964 -1.71 . . . . 0.67 110.6 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -84.13 25.16 0.86 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.105 -0.997 . . . . 0.88 110.031 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.421 -0.8 . . . . 1.07 109.83 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.133 0.492 . . . . 0.93 110.735 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -90.44 3.36 54.07 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 109.01 -0.737 . . . . 2.1 109.01 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.578 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 14.2 m-70 -74.71 -30.79 1.08 Allowed Pre-proline 0 N--CA 1.498 1.951 0 O-C-N 121.172 -0.955 . . . . 3.25 113.419 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 63.5 Cg_exo -54.0 144.84 55.2 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 121.493 1.462 . . . . 1.0 112.402 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.99 171.37 18.09 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.46 2.107 . . . . 1.37 112.326 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.18 27.7 65.66 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 110.194 -1.162 . . . . 1.3 110.194 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.76 ' O ' HG23 ' A' ' 21' ' ' THR . 9.8 t -89.72 90.93 8.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.184 -1.186 . . . . 1.05 108.663 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -78.93 140.79 37.99 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.036 -1.04 . . . . 2.59 109.419 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -106.26 74.03 0.32 Allowed Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.711 -0.618 . . . . 2.32 109.715 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.42 148.4 87.99 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 121.675 1.583 . . . . 0.86 111.015 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.439 ' HG2' HH11 ' A' ' 25' ' ' ARG . 41.9 mtt-85 -71.08 -6.36 38.58 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.655 -1.278 . . . . 3.74 110.522 -178.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 m -74.01 -0.75 17.32 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.028 -1.045 . . . . 0.87 109.691 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -102.78 -29.1 11.69 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.095 -1.003 . . . . 1.06 110.841 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 p -105.63 -39.69 6.0 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.071 -1.018 . . . . 0.66 110.347 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -64.14 -28.75 69.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.006 -1.059 . . . . 2.82 109.746 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.487 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 48.3 m -59.02 -30.0 67.68 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.322 -0.861 . . . . 0.44 109.582 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -95.95 142.67 27.91 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.299 -1.0 . . . . 1.3 108.299 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.487 ' OE1' ' O ' ' A' ' 30' ' ' SER . 3.7 mp0 -113.25 150.52 43.17 Favored Pre-proline 0 N--CA 1.501 2.077 0 N-CA-C 108.935 -0.765 . . . . 2.07 108.935 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -39.79 154.39 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.16 0 C-N-CA 121.89 1.727 . . . . 0.48 112.081 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.93 132.85 21.27 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.146 -0.972 . . . . 0.27 110.649 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 36' ' ' CYS . 29.5 m -112.7 159.78 18.58 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.98 -0.748 . . . . 0.39 108.98 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' TYR . 7.5 t -106.6 103.09 44.94 Favored Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.242 -0.911 . . . . 0.42 110.448 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -54.49 -4.09 0.29 Allowed 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.057 1.838 . . . . 0.8 113.551 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -97.43 -53.66 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 120.755 -1.215 . . . . 0.53 110.251 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.5 p -118.27 12.11 13.34 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-O 121.833 0.825 . . . . 0.47 108.848 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' CYS . 80.3 m-85 55.31 19.17 2.86 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 116.122 -0.49 . . . . 0.66 110.725 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.596 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.49 140.28 54.26 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.799 -1.188 . . . . 0.38 107.901 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -95.19 114.54 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.199 -0.938 . . . . 0.42 109.65 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 34' ' ' ALA . 30.1 mm -110.93 129.05 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 107.002 -1.481 . . . . 0.26 107.002 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -74.13 -62.96 1.33 Allowed 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 117.931 -1.507 . . . . 2.05 109.652 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -76.25 138.33 40.51 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.276 -0.89 . . . . 1.22 110.915 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.6 p -68.1 -35.13 77.65 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.406 -0.809 . . . . 0.35 110.57 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 12.6 ptp180 -58.95 -39.75 82.61 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.817 -1.177 . . . . 0.86 108.179 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 97.9 m-20 -64.77 -31.37 72.57 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.609 -0.682 . . . . 0.33 109.332 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.35 -43.04 88.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.37 108.927 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -59.41 -40.69 87.48 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.295 -1.002 . . . . 3.24 108.295 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -67.42 -36.4 81.17 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.964 -0.694 . . . . 0.45 109.479 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -65.7 -38.72 89.99 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.564 -0.71 . . . . 0.33 109.833 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' PHE . 94.0 mt -59.67 -41.67 91.14 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.002 -1.061 . . . . 0.44 109.376 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.756 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 70.1 mm-40 -73.27 -24.72 60.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.408 -0.807 . . . . 2.08 111.715 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.3 mt -85.69 -42.92 13.85 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.431 -1.418 . . . . 0.5 113.093 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.563 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.7 mmm180 -107.15 -0.29 22.88 Favored 'General case' 0 N--CA 1.506 2.351 0 O-C-N 120.858 -1.152 . . . . 2.21 112.725 -176.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 32.6 m-70 -145.64 -65.73 0.31 Allowed 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.536 -1.352 . . . . 0.67 111.532 -178.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' LEU . 54.0 m-85 -81.97 20.08 1.04 Allowed 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.004 -1.06 . . . . 0.88 110.24 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 107.929 -1.137 . . . . 1.07 107.929 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 120.974 0.416 . . . . 0.93 110.102 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -95.12 9.21 40.46 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.333 -0.855 . . . . 2.1 108.925 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.6 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 14.0 m-70 -84.03 -31.8 0.49 Allowed Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.479 -0.763 . . . . 3.25 112.886 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 61.4 Cg_exo -52.31 139.24 54.85 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 121.695 1.596 . . . . 1.0 112.177 -178.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.79 177.95 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.11 1.207 . . . . 1.37 111.54 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.98 26.09 69.79 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 120.178 -1.011 . . . . 1.3 110.976 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.709 ' O ' HG23 ' A' ' 21' ' ' THR . 14.6 t -90.93 97.53 11.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.76 -1.435 . . . . 1.05 109.218 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -82.25 149.7 27.7 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.277 -0.89 . . . . 2.59 109.964 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -107.07 76.03 0.45 Allowed Pre-proline 0 N--CA 1.505 2.275 0 O-C-N 121.354 -0.841 . . . . 2.32 110.025 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -74.38 134.84 19.49 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.879 1.72 . . . . 0.86 112.726 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -74.92 -14.41 60.64 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.394 -0.816 . . . . 3.74 109.325 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.7 m -71.78 -11.65 60.92 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.885 -1.134 . . . . 0.87 110.889 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.475 HH11 ' HG2' ' A' ' 27' ' ' ARG . 1.1 mmt-85 -95.64 -13.57 24.2 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.808 -1.183 . . . . 1.06 111.493 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 p -108.96 -43.46 4.2 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.034 -1.041 . . . . 0.66 109.112 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -62.3 -36.56 82.51 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 121.21 0.529 . . . . 2.82 110.904 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.449 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 52.4 m -52.58 -31.86 38.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.348 -0.845 . . . . 0.44 110.301 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -95.74 142.18 28.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.227 -0.921 . . . . 1.3 109.183 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.559 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 3.7 mp0 -115.2 152.82 47.16 Favored Pre-proline 0 N--CA 1.502 2.164 0 N-CA-C 108.627 -0.879 . . . . 2.07 108.627 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -40.12 154.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.149 0 C-N-CA 121.737 1.624 . . . . 0.48 112.135 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -148.18 140.18 24.01 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.152 -0.967 . . . . 0.27 110.796 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 36' ' ' CYS . 88.2 m -116.24 164.72 14.08 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.317 -0.623 . . . . 0.39 109.317 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.581 ' N ' HG22 ' A' ' 35' ' ' THR . 1.8 t -106.1 103.67 46.04 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.534 -0.729 . . . . 0.42 109.238 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -54.1 -4.59 0.28 Allowed 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.959 1.773 . . . . 0.8 113.258 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.1 mt -97.07 -55.27 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 120.794 -1.191 . . . . 0.53 110.254 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.7 p -117.36 12.45 14.27 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.224 -0.922 . . . . 0.47 108.74 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' CYS . 95.9 m-85 55.9 22.25 5.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.858 -0.526 . . . . 0.66 111.265 178.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.58 141.6 54.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.459 -1.4 . . . . 0.38 107.397 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.59 109.52 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.038 -1.039 . . . . 0.42 109.68 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' ALA . 28.2 mm -109.94 130.17 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 N-CA-C 108.095 -1.076 . . . . 0.26 108.095 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 44' ' ' ARG . 20.3 mtt-85 -73.39 -63.51 1.18 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.875 -1.14 . . . . 2.05 111.389 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -78.39 133.51 37.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.98 -1.075 . . . . 1.22 109.7 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.7 p -63.35 -31.12 72.19 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.357 -0.84 . . . . 0.35 110.319 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.454 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.7 ptp180 -60.88 -41.61 96.34 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.92 -1.113 . . . . 0.86 108.658 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.454 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 96.4 m-20 -65.45 -30.07 70.82 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.595 -0.691 . . . . 0.33 109.564 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.0 tp -57.76 -47.18 83.24 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 119.06 -1.056 . . . . 0.37 108.792 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -56.34 -42.24 77.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.888 -1.132 . . . . 3.24 108.091 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -62.96 -39.03 93.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.506 -0.746 . . . . 0.45 109.078 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -61.81 -38.37 87.88 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.342 -0.849 . . . . 0.33 109.71 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' PHE . 90.3 mt -59.64 -42.19 92.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.04 -1.038 . . . . 0.44 109.445 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.62 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 96.2 mt-10 -72.04 -29.37 64.1 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.32 -0.863 . . . . 2.08 111.534 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.0 mt -87.63 -14.75 39.19 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.754 -1.216 . . . . 0.5 112.103 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.575 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 24.0 mmm180 -134.59 -1.59 2.79 Favored 'General case' 0 N--CA 1.507 2.424 0 O-C-N 120.591 -1.318 . . . . 2.21 112.373 -178.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 44.7 m-70 -148.18 -60.06 0.25 Allowed 'General case' 0 N--CA 1.507 2.387 0 O-C-N 120.326 -1.484 . . . . 0.67 110.488 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 53' ' ' LEU . 30.4 m-85 -80.11 18.08 0.91 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.656 -1.277 . . . . 0.88 108.957 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.595 -0.691 . . . . 1.07 110.35 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.709 0.766 . . . . 0.93 110.485 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -95.51 3.96 53.67 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.516 -0.74 . . . . 2.1 109.422 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.618 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 28.9 m170 -81.35 -30.58 0.55 Allowed Pre-proline 0 N--CA 1.496 1.845 0 O-C-N 121.087 -1.008 . . . . 3.25 112.811 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 71.8 Cg_exo -49.93 149.67 10.97 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 121.827 1.684 . . . . 1.0 112.308 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.22 166.84 28.88 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.105 1.87 . . . . 1.37 112.566 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.22 23.61 68.06 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 110.274 -1.13 . . . . 1.3 110.274 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.709 ' O ' HG23 ' A' ' 21' ' ' THR . 12.2 t -89.36 94.12 9.78 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.786 -1.42 . . . . 1.05 108.71 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -78.42 142.35 37.63 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.03 -1.044 . . . . 2.59 108.892 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -104.44 71.03 0.18 Allowed Pre-proline 0 N--CA 1.499 1.991 0 O-C-N 121.462 -0.774 . . . . 2.32 109.66 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.05 136.36 56.06 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.46 1.44 . . . . 0.86 111.038 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -69.26 -10.94 60.17 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.032 -0.729 . . . . 3.74 109.032 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.2 m -69.0 -6.25 26.67 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.288 -0.882 . . . . 0.87 109.599 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.419 HH11 ' HG2' ' A' ' 27' ' ' ARG . 31.8 mmt-85 -98.98 -21.51 16.21 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.181 -0.949 . . . . 1.06 110.508 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.2 p -108.62 -32.69 7.27 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.039 -1.038 . . . . 0.66 109.537 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.27 -37.72 81.33 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.255 -0.903 . . . . 2.82 109.506 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.5 m -54.08 -33.28 57.13 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.504 -0.878 . . . . 0.44 109.64 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HG3' HH21 ' A' ' 47' ' ' ARG . 74.9 mm-40 -96.53 137.57 35.41 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.775 -1.203 . . . . 1.3 110.059 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -115.6 152.54 47.32 Favored Pre-proline 0 N--CA 1.495 1.781 0 N-CA-C 108.987 -0.746 . . . . 2.07 108.987 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -34.64 152.72 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.32 0 C-N-CA 122.552 2.168 . . . . 0.48 112.66 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -145.98 132.39 19.66 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.125 -0.984 . . . . 0.27 110.065 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.8 m -115.61 144.58 43.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.488 -0.758 . . . . 0.39 109.828 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.1 t -85.14 126.36 67.76 Favored Pre-proline 0 C--N 1.299 -1.611 0 N-CA-C 108.159 -1.052 . . . . 0.42 108.159 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.23 -1.34 11.52 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 120.814 1.009 . . . . 0.8 112.59 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.3 mt -99.87 -40.42 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.187 -0.946 . . . . 0.53 110.385 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.7 p -132.28 20.98 4.4 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.316 -0.865 . . . . 0.47 109.796 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 48.43 20.97 0.34 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.601 -0.687 . . . . 0.66 111.372 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.553 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -61.4 139.94 58.11 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.612 -1.625 . . . . 0.38 106.612 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.74 114.32 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.805 -1.184 . . . . 0.42 110.143 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' ALA . 36.1 mm -109.63 127.46 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.594 -1.261 . . . . 0.26 107.594 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -72.56 -59.66 2.61 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.179 -1.008 . . . . 2.05 109.62 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -79.56 137.57 37.2 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.138 -1.025 . . . . 1.22 110.267 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 p -66.28 -39.24 89.27 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.458 0.647 . . . . 0.35 109.683 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.451 HH21 ' HG3' ' A' ' 31' ' ' GLU . 10.1 ptp180 -54.94 -39.85 69.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.858 -1.151 . . . . 0.86 109.678 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.5 m-20 -67.53 -29.7 69.17 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.225 -0.922 . . . . 0.33 109.219 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.8 tp -57.4 -44.0 84.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.31 -0.869 . . . . 0.37 108.902 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -59.98 -39.43 85.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.101 -0.999 . . . . 3.24 108.57 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -69.48 -36.54 76.62 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.485 -0.759 . . . . 0.45 109.571 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -59.95 -39.66 86.34 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.932 . . . . 0.33 109.16 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.98 -39.87 96.02 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.991 -1.068 . . . . 0.44 110.329 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.785 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 76.9 mm-40 -74.48 -26.95 60.34 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.548 -0.72 . . . . 2.08 112.042 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.9 mt -95.51 -36.86 11.13 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.967 -1.083 . . . . 0.5 112.157 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.43 ' HG3' HH11 ' A' ' 56' ' ' ARG . 17.6 mmm-85 -105.47 8.29 33.42 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.78 -1.2 . . . . 2.21 113.02 -177.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -150.87 -69.26 0.18 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.116 -1.615 . . . . 0.67 110.722 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -80.22 12.09 3.11 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.591 -0.693 . . . . 0.88 109.791 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.785 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.297 -1.707 0 C-N-CA 119.682 -0.807 . . . . 1.07 109.563 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 121.19 0.519 . . . . 0.93 110.386 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -89.66 8.93 29.01 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.409 -0.959 . . . . 2.1 108.409 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 34.8 m80 -79.76 -47.99 1.43 Allowed Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.597 -0.69 . . . . 3.25 112.563 -178.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 17' ' ' HIS . 13.2 Cg_endo -55.79 151.69 39.0 Favored 'Trans proline' 0 N--CA 1.488 1.173 0 CA-C-N 120.441 1.193 . . . . 1.0 111.783 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.76 -178.53 0.74 Allowed 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.489 2.126 . . . . 1.37 112.213 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.22 20.01 68.14 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 120.565 -0.826 . . . . 1.3 111.298 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.96 93.55 8.42 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.914 -1.345 . . . . 1.05 109.269 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -78.08 147.0 34.9 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.517 -0.74 . . . . 2.59 109.359 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -106.9 74.04 0.36 Allowed Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.428 -0.795 . . . . 2.32 109.942 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.03 135.82 30.76 Favored 'Trans proline' 0 N--CA 1.488 1.19 0 C-N-CA 121.083 1.189 . . . . 0.86 109.785 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -69.49 -12.65 61.83 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.288 -0.882 . . . . 3.74 109.903 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.5 m -68.41 -4.9 16.33 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.386 -0.821 . . . . 0.87 109.839 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.459 HH11 ' HG2' ' A' ' 27' ' ' ARG . 5.4 mmt-85 -101.52 -25.71 13.81 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.162 -0.961 . . . . 1.06 110.327 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 p -108.17 -41.54 4.88 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.415 -0.803 . . . . 0.66 109.587 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.98 -30.31 69.03 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.58 -0.7 . . . . 2.82 109.676 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.6 m -61.22 -28.57 69.25 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.265 -0.897 . . . . 0.44 109.5 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' CD ' HH21 ' A' ' 47' ' ' ARG . 69.4 mm-40 -93.38 138.79 31.37 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.174 -0.954 . . . . 1.3 109.658 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -113.81 150.31 43.2 Favored Pre-proline 0 N--CA 1.5 2.047 0 N-CA-C 108.131 -1.063 . . . . 2.07 108.131 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -38.3 156.31 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.351 2.034 . . . . 0.48 113.153 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -147.58 131.08 16.72 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.284 -0.885 . . . . 0.27 110.257 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 36' ' ' CYS . 49.4 m -110.81 164.53 12.68 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.319 -0.863 . . . . 0.39 109.75 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.522 ' N ' HG22 ' A' ' 35' ' ' THR . 4.1 t -106.02 101.58 34.65 Favored Pre-proline 0 N--CA 1.499 1.994 0 N-CA-C 109.178 -0.675 . . . . 0.42 109.178 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -56.3 0.46 0.17 Allowed 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.599 1.533 . . . . 0.8 112.471 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.425 ' H ' ' C ' ' A' ' 36' ' ' CYS . 5.9 mt -97.72 -61.63 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 120.87 -1.143 . . . . 0.53 109.926 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.9 p -113.11 13.59 19.36 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.461 -0.774 . . . . 0.47 109.116 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 56.86 21.09 5.74 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.881 -0.512 . . . . 0.66 110.885 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.536 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.06 137.06 58.18 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.07 -1.455 . . . . 0.38 107.07 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -95.54 114.89 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.17 -0.956 . . . . 0.42 110.193 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' ALA . 38.3 mm -113.88 128.49 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 N-CA-C 108.287 -1.005 . . . . 0.26 108.287 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' A' ' 44' ' ' ARG . 18.7 mtt-85 -70.67 -56.91 5.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.853 -1.155 . . . . 2.05 110.883 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.552 ' NE2' ' ND2' ' A' ' 48' ' ' ASN . 37.2 mt-30 -82.49 133.89 35.2 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.052 -1.03 . . . . 1.22 111.074 -177.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.3 p -63.35 -37.33 86.85 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.364 -0.835 . . . . 0.35 110.016 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.449 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.0 ptp180 -59.74 -41.94 92.08 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.971 -1.081 . . . . 0.86 108.296 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.552 ' ND2' ' NE2' ' A' ' 45' ' ' GLN . 98.5 m-20 -63.0 -32.09 73.37 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.576 -0.703 . . . . 0.33 109.577 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.6 tp -56.58 -45.46 81.33 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.545 -1.347 . . . . 0.37 109.149 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -58.21 -40.88 82.77 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 118.924 -1.11 . . . . 3.24 108.103 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -60.98 -39.59 90.2 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.744 -0.836 . . . . 0.45 108.744 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -62.61 -36.28 82.26 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.271 -0.893 . . . . 0.33 110.13 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.89 -43.47 98.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.8 -1.188 . . . . 0.44 109.22 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.708 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 76.3 mt-10 -75.84 -19.01 59.24 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.05 -1.031 . . . . 2.08 111.824 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.0 mt -91.31 -47.25 7.59 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.375 -1.453 . . . . 0.5 112.11 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.442 ' HG3' HH11 ' A' ' 56' ' ' ARG . 21.4 mmm-85 -107.03 15.81 24.89 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.935 -1.103 . . . . 2.21 112.514 -176.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.41 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 97.7 m-70 -150.76 -71.84 0.17 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.257 -1.527 . . . . 0.67 110.867 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -81.84 12.62 3.85 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.097 -1.002 . . . . 0.88 109.278 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.496 1.84 0 O-C-N 121.498 -0.751 . . . . 1.07 110.158 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 121.052 0.454 . . . . 0.93 109.92 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -96.61 4.38 51.98 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.355 -0.84 . . . . 2.1 109.776 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.619 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 19.2 t-80 -78.7 -33.2 0.88 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.26 -0.9 . . . . 3.25 111.888 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.6 Cg_exo -51.69 155.45 7.81 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.705 1.603 . . . . 1.0 111.924 -178.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.21 178.55 3.53 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.579 2.186 . . . . 1.37 112.123 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.2 19.64 78.22 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 110.773 -0.931 . . . . 1.3 110.773 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 21' ' ' THR . 3.3 t -91.22 95.73 10.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.935 -1.333 . . . . 1.05 108.849 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -76.68 151.65 36.05 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 109.047 -0.723 . . . . 2.59 109.047 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -107.24 71.05 0.29 Allowed Pre-proline 0 N--CA 1.5 2.063 0 O-C-N 121.3 -0.875 . . . . 2.32 111.545 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HG2' ' HE ' ' A' ' 27' ' ' ARG . 14.7 Cg_endo -61.18 143.84 98.76 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.374 1.383 . . . . 0.86 111.589 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -68.11 -25.09 65.14 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.609 -0.682 . . . . 3.74 111.657 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 m -67.18 1.61 2.0 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.947 -1.095 . . . . 0.87 111.638 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.404 ' HE ' ' HG2' ' A' ' 24' ' ' PRO . 27.9 mmt180 -94.02 -65.15 1.01 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.591 -1.318 . . . . 1.06 112.078 -178.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.7 p -86.75 -30.99 21.19 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.048 -1.033 . . . . 0.66 111.223 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -59.95 -39.78 86.75 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.836 -1.165 . . . . 2.82 110.076 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 49.7 m -60.65 -28.46 68.6 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.18 -0.95 . . . . 0.44 109.824 -179.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.557 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 80.1 mm-40 -84.58 139.11 32.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.412 -0.805 . . . . 1.3 110.741 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.532 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 25.7 mp0 -115.2 150.67 44.77 Favored Pre-proline 0 N--CA 1.501 2.097 0 N-CA-C 108.439 -0.948 . . . . 2.07 108.439 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.41 153.33 7.51 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.496 1.464 . . . . 0.48 111.373 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.97 137.27 26.01 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.024 -1.048 . . . . 0.27 110.796 -178.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -115.85 152.12 33.96 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.526 -0.734 . . . . 0.39 110.281 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -87.75 129.71 49.63 Favored Pre-proline 0 N--CA 1.495 1.807 0 O-C-N 121.523 -0.736 . . . . 0.42 109.149 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.58 -7.39 18.6 Favored 'Trans proline' 0 N--CA 1.49 1.305 0 C-N-CA 121.558 1.505 . . . . 0.8 111.985 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.1 mt -97.95 -59.8 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.269 -0.894 . . . . 0.53 111.135 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.0 p -111.62 19.48 18.06 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 121.274 -0.891 . . . . 0.47 110.424 -178.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 51.14 20.17 0.83 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.194 -0.941 . . . . 0.66 111.286 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.81 141.17 49.83 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.389 -1.337 . . . . 0.38 107.389 177.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.4 t -95.27 115.17 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.985 -1.072 . . . . 0.42 109.819 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' ALA . 45.9 mm -111.71 128.03 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 107.351 -1.352 . . . . 0.26 107.351 178.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -73.64 -57.18 4.17 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.796 -1.19 . . . . 2.05 110.659 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -79.43 136.55 36.97 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.975 -1.078 . . . . 1.22 110.374 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.3 p -66.58 -36.81 83.54 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.884 -1.135 . . . . 0.35 109.642 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.557 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -57.57 -38.36 74.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.723 -1.236 . . . . 0.86 108.984 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.37 -28.07 66.79 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.188 -0.945 . . . . 0.33 109.255 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.2 tp -55.86 -48.09 76.15 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.078 -1.014 . . . . 0.37 108.973 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -59.7 -40.48 88.05 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.025 -1.07 . . . . 3.24 108.451 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -62.15 -38.98 91.07 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.451 -0.781 . . . . 0.45 109.562 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -60.77 -37.19 81.01 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.393 -0.817 . . . . 0.33 109.655 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.05 -44.73 94.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.98 -1.075 . . . . 0.44 109.835 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.88 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 89.9 mt-10 -70.58 -27.7 64.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.237 -0.914 . . . . 2.08 111.876 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.51 -44.41 11.31 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.525 -1.359 . . . . 0.5 112.258 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 3.3 mmp_? -107.93 19.36 20.14 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.908 -1.12 . . . . 2.21 113.161 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 97.7 m-70 -152.11 -70.3 0.16 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.03 -1.669 . . . . 0.67 111.165 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -79.16 3.41 17.79 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.62 -1.3 . . . . 0.88 110.046 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.88 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.724 0 O-C-N 121.439 -0.788 . . . . 1.07 109.211 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.166 0.508 . . . . 0.93 110.209 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -89.35 16.01 8.18 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.429 -0.794 . . . . 2.1 109.012 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.596 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.8 t60 -79.53 -31.34 0.68 Allowed Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 113.048 0.759 . . . . 3.25 113.048 -177.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 69.4 Cg_exo -49.69 138.51 32.75 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 120.993 1.129 . . . . 1.0 111.996 -177.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.98 176.79 9.57 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.272 1.981 . . . . 1.37 112.373 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.68 26.99 68.11 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.819 -1.312 . . . . 1.3 109.819 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 21' ' ' THR . 0.7 OUTLIER -97.87 84.78 3.39 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.298 -1.119 . . . . 1.05 110.206 -179.337 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -78.15 147.71 34.43 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.934 -1.104 . . . . 2.59 109.21 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -95.11 109.21 43.33 Favored Pre-proline 0 N--CA 1.501 2.088 0 O-C-N 121.208 -0.933 . . . . 2.32 110.772 -179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -84.17 149.34 11.99 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.19 1.926 . . . . 0.86 110.622 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.564 HH11 ' HG2' ' A' ' 25' ' ' ARG . 12.4 mtt-85 -69.67 -26.45 64.38 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.921 -1.112 . . . . 3.74 110.563 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.8 m -68.99 -6.91 30.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.963 -1.085 . . . . 0.87 111.887 -177.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.515 HH11 ' HG2' ' A' ' 27' ' ' ARG . 1.8 mmt-85 -99.3 -31.16 11.84 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.735 -1.228 . . . . 1.06 110.45 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 p -110.12 -38.91 5.17 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.166 -0.958 . . . . 0.66 109.817 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -60.65 -37.28 81.0 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.001 -1.062 . . . . 2.82 110.27 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.3 m -56.7 -35.68 68.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.169 -0.957 . . . . 0.44 110.937 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.555 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 46.6 mm-40 -69.15 147.8 50.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.709 -1.244 . . . . 1.3 109.797 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -126.99 152.68 75.95 Favored Pre-proline 0 N--CA 1.496 1.866 0 N-CA-C 108.044 -1.095 . . . . 2.07 108.044 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -44.52 153.56 0.36 Allowed 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 121.692 1.595 . . . . 0.48 112.861 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -145.91 133.97 21.5 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.477 -0.764 . . . . 0.27 109.566 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 36' ' ' CYS . 95.2 m -113.91 156.45 23.95 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 109.238 -0.653 . . . . 0.39 109.238 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.427 ' N ' HG22 ' A' ' 35' ' ' THR . 3.8 t -95.06 125.39 50.79 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.35 -0.844 . . . . 0.42 109.084 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -76.27 -1.04 11.01 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 121.556 1.504 . . . . 0.8 112.436 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.2 mt -101.92 -49.75 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.238 -0.914 . . . . 0.53 110.332 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.6 p -124.52 25.45 7.59 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.366 -0.834 . . . . 0.47 109.841 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 46.5 20.14 0.09 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.345 -0.847 . . . . 0.66 112.004 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.547 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.79 140.22 56.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.617 -1.302 . . . . 0.38 107.98 178.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.9 t -96.22 113.38 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.977 -1.077 . . . . 0.42 109.976 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' ALA . 25.5 mm -110.92 132.14 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 107.412 -1.329 . . . . 0.26 107.412 178.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.476 HH11 ' HG2' ' A' ' 44' ' ' ARG . 28.0 mtt-85 -75.49 -62.64 1.5 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.494 -1.379 . . . . 2.05 110.509 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.563 ' OE1' ' NE ' ' A' ' 47' ' ' ARG . 83.6 mt-30 -78.89 140.7 38.06 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.092 -1.005 . . . . 1.22 110.994 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.9 p -66.37 -36.34 82.61 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.396 -0.815 . . . . 0.35 109.966 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.563 ' NE ' ' OE1' ' A' ' 45' ' ' GLN . 2.3 ptt-85 -59.65 -41.07 89.7 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.952 -1.092 . . . . 0.86 109.24 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.408 ' HA ' HH12 ' A' ' 51' ' ' ARG . 93.7 m-20 -62.67 -32.05 73.05 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.16 -0.962 . . . . 0.33 110.019 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.2 tp -57.25 -42.34 81.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.031 -1.043 . . . . 0.37 108.43 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.509 HH11 ' HG2' ' A' ' 50' ' ' ARG . 17.1 ttt-85 -58.04 -40.05 79.93 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.509 -0.923 . . . . 3.24 108.509 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' CB ' ' NH1' ' A' ' 51' ' ' ARG . 12.4 ttp-105 -69.26 -36.02 76.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.221 -0.924 . . . . 0.45 108.733 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -62.77 -41.38 99.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.421 -0.799 . . . . 0.33 109.721 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.6 mt -60.07 -43.97 95.09 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.202 -0.936 . . . . 0.44 110.332 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.777 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 88.5 mt-10 -73.52 -21.65 60.33 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.333 -0.855 . . . . 2.08 113.002 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.7 mt -99.03 -37.84 9.2 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.958 -1.089 . . . . 0.5 111.678 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.489 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.8 mmm180 -103.95 14.03 31.53 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.861 -1.15 . . . . 2.21 112.292 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.5 m-70 -153.5 -76.68 0.12 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.085 -1.635 . . . . 0.67 111.12 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -76.39 8.57 3.31 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.32 -0.862 . . . . 0.88 109.348 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.298 -1.651 0 N-CA-C 108.316 -0.994 . . . . 1.07 108.316 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 120.721 0.296 . . . . 0.93 111.356 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -93.44 4.23 54.29 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.088 -1.007 . . . . 2.1 109.577 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.613 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.4 m-70 -81.12 -29.18 0.51 Allowed Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 121.409 -0.807 . . . . 3.25 113.108 -178.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 74.5 Cg_exo -50.14 152.51 7.81 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 121.781 1.654 . . . . 1.0 112.878 -178.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -73.11 164.77 34.52 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.79 2.327 . . . . 1.37 112.312 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.84 18.78 78.51 Favored Glycine 0 N--CA 1.484 1.866 0 N-CA-C 110.415 -1.074 . . . . 1.3 110.415 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.631 ' O ' HG23 ' A' ' 21' ' ' THR . 8.7 t -95.52 83.84 3.87 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.854 -1.38 . . . . 1.05 108.517 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -76.09 157.7 32.6 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.437 -0.789 . . . . 2.59 109.413 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -105.15 70.77 0.21 Allowed Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 121.372 -0.83 . . . . 2.32 110.19 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.4 140.97 79.3 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.402 1.402 . . . . 0.86 110.721 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -77.75 -1.04 29.33 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.485 -0.759 . . . . 3.74 109.412 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -73.16 -5.66 40.65 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.019 -1.051 . . . . 0.87 109.511 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -99.06 -22.98 15.44 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.246 -1.02 . . . . 1.06 108.246 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.3 p -105.95 -37.62 6.6 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.633 0.73 . . . . 0.66 109.213 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -63.59 -36.25 83.19 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.158 -0.963 . . . . 2.82 108.855 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.9 m -60.28 -29.01 68.54 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.135 -1.061 . . . . 0.44 108.135 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.592 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 56.1 mm-40 -89.29 138.07 31.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.919 -0.488 . . . . 1.3 110.004 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -117.44 149.9 45.6 Favored Pre-proline 0 N--CA 1.502 2.167 0 N-CA-C 107.778 -1.193 . . . . 2.07 107.778 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -40.28 156.5 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.295 1.997 . . . . 0.48 112.183 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.92 135.86 21.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.338 -0.851 . . . . 0.27 110.244 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.2 m -116.87 146.1 43.14 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.606 -0.684 . . . . 0.39 110.373 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.8 t -85.42 132.79 43.83 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.831 -0.543 . . . . 0.42 109.615 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -79.89 -8.46 14.43 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 121.971 1.78 . . . . 0.8 113.352 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.9 mt -96.33 -42.6 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.949 -1.094 . . . . 0.53 110.496 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.6 p -127.84 19.26 6.64 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.181 -0.95 . . . . 0.47 110.771 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 49.89 17.92 0.32 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.408 -0.807 . . . . 0.66 111.328 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.575 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.55 139.98 56.69 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.553 -1.342 . . . . 0.38 107.798 178.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.58 113.85 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.926 -1.109 . . . . 0.42 110.53 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.0 mm -109.24 127.01 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 N-CA-C 107.329 -1.36 . . . . 0.26 107.329 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.452 HH11 ' HG2' ' A' ' 44' ' ' ARG . 17.6 mtt-85 -68.74 -57.73 5.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.545 -1.347 . . . . 2.05 110.833 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.444 ' NE2' HH21 ' A' ' 47' ' ' ARG . 98.0 mt-30 -80.26 135.34 36.22 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.279 -0.888 . . . . 1.22 110.935 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.4 p -66.19 -36.53 83.32 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.276 -0.89 . . . . 0.35 109.532 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.592 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -57.73 -35.65 70.97 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.455 -1.403 . . . . 0.86 109.625 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.423 ' ND2' ' OE1' ' A' ' 45' ' ' GLN . 94.2 m-20 -73.95 -25.52 60.0 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.066 -1.022 . . . . 0.33 108.785 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.92 -46.19 88.53 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.226 -0.99 . . . . 0.37 108.513 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -60.25 -41.68 93.71 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.181 -1.044 . . . . 3.24 108.181 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -63.95 -33.99 76.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.45 110.021 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -64.49 -36.23 83.52 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.302 -0.874 . . . . 0.33 109.59 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.01 -41.38 96.42 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.064 -1.023 . . . . 0.44 109.572 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 75.9 mt-10 -75.13 -15.03 60.62 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.681 -0.637 . . . . 2.08 111.276 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.2 mt -102.1 -42.29 6.13 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.508 -1.37 . . . . 0.5 111.084 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.509 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.0 mmm180 -105.56 11.29 32.57 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.896 -1.127 . . . . 2.21 112.61 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.509 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 90.2 m-70 -152.49 -71.05 0.15 Allowed 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.107 -1.62 . . . . 0.67 110.583 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -80.19 13.63 2.25 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.0 -1.062 . . . . 0.88 109.414 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.36 -0.838 . . . . 1.07 109.992 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.636 -0.505 . . . . 0.93 109.636 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.91 3.64 54.03 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.245 -0.91 . . . . 2.1 109.061 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.51 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -82.71 -44.05 0.92 Allowed Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.253 -0.904 . . . . 3.25 112.357 -177.632 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 86.5 Cg_exo -48.06 150.95 4.43 Favored 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.564 2.176 . . . . 1.0 112.528 -177.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -57.3 175.41 0.36 Allowed 'Trans proline' 0 N--CA 1.504 2.103 0 C-N-CA 122.356 2.037 . . . . 1.37 112.392 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.92 16.36 80.72 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.843 -1.303 . . . . 1.3 109.843 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.88 91.34 7.86 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.093 -1.24 . . . . 1.05 109.341 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -78.2 143.5 37.12 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.542 -0.724 . . . . 2.59 109.329 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -106.66 68.99 0.23 Allowed Pre-proline 0 N--CA 1.5 2.038 0 O-C-N 121.597 -0.689 . . . . 2.32 110.727 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.22 135.33 53.77 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.88 1.72 . . . . 0.86 111.942 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -70.14 -11.06 60.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.491 -0.756 . . . . 3.74 109.52 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.8 m -70.18 -9.36 55.49 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.449 -0.782 . . . . 0.87 110.627 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -105.12 -17.87 14.34 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.076 -1.015 . . . . 1.06 109.335 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.7 p -107.68 -41.24 5.07 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.544 -0.723 . . . . 0.66 109.812 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.466 ' NE2' ' C ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -59.96 -26.92 66.38 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.268 -0.895 . . . . 2.82 109.224 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.7 m -60.55 -28.57 68.54 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.244 -0.91 . . . . 0.44 109.093 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -94.31 145.09 24.99 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.278 -0.888 . . . . 1.3 110.124 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -114.76 152.63 46.54 Favored Pre-proline 0 N--CA 1.499 2.008 0 N-CA-C 107.887 -1.153 . . . . 2.07 107.887 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -48.45 153.09 3.44 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.39 1.393 . . . . 0.48 110.871 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -141.48 129.97 22.59 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.22 -0.925 . . . . 0.27 110.248 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.0 m -111.61 148.03 34.2 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.564 0.697 . . . . 0.39 109.998 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.1 t -85.9 130.09 51.83 Favored Pre-proline 0 N--CA 1.492 1.627 0 N-CA-C 109.091 -0.707 . . . . 0.42 109.091 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.06 -6.28 17.17 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 121.772 1.648 . . . . 0.8 113.77 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.1 mt -99.88 -52.71 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 120.905 -1.122 . . . . 0.53 110.313 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.6 p -115.81 19.63 15.06 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.261 -0.9 . . . . 0.47 110.288 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 49.14 17.4 0.18 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.38 -0.825 . . . . 0.66 110.888 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.615 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.3 139.49 48.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.516 -1.365 . . . . 0.38 107.665 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.0 t -94.8 112.92 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.194 -0.941 . . . . 0.42 110.733 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' ALA . 31.7 mm -110.2 131.37 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 107.818 -1.178 . . . . 0.26 107.818 178.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' A' ' 44' ' ' ARG . 10.5 mtt-85 -75.39 -62.91 1.41 Allowed 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.933 -1.104 . . . . 2.05 110.814 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -79.04 136.99 37.35 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.111 -0.993 . . . . 1.22 110.584 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -63.54 -33.93 76.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.274 -0.891 . . . . 0.35 109.883 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.4 ptp180 -58.74 -40.01 82.55 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.208 -0.933 . . . . 0.86 109.212 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.442 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.2 m-20 -69.7 -27.36 64.93 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.326 -0.859 . . . . 0.33 109.868 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.37 -47.63 83.22 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.903 -1.123 . . . . 0.37 109.327 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.497 HH11 ' CG ' ' A' ' 50' ' ' ARG . 8.3 mtt-85 -58.83 -40.02 82.95 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.276 -1.379 . . . . 3.24 107.276 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -62.89 -39.8 95.59 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 109.366 -0.605 . . . . 0.45 109.366 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -61.41 -38.89 88.76 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.557 -0.714 . . . . 0.33 110.111 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.19 -42.32 94.79 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.15 -0.969 . . . . 0.44 109.719 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.824 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 63.4 mm-40 -72.16 -24.14 61.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.445 -0.784 . . . . 2.08 111.803 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.5 mt -93.95 -41.31 9.66 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.832 -1.168 . . . . 0.5 112.054 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.514 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 3.4 mmp_? -106.25 11.57 30.99 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.078 -1.014 . . . . 2.21 113.331 -176.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.0 m-70 -153.11 -65.94 0.15 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 119.916 -1.74 . . . . 0.67 110.52 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -81.2 6.86 12.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.055 -1.028 . . . . 0.88 110.186 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.824 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.713 0 N-CA-C 108.778 -0.823 . . . . 1.07 108.778 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.369 0.604 . . . . 0.93 110.48 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -89.08 17.2 6.07 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.327 -0.99 . . . . 2.1 108.327 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.594 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 23.3 m170 -77.53 -30.0 0.73 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.281 -0.887 . . . . 3.25 112.847 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 57.6 Cg_exo -49.98 141.61 29.04 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 121.531 1.487 . . . . 1.0 112.887 -178.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -74.02 172.26 16.29 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.333 2.022 . . . . 1.37 111.466 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.69 17.05 79.05 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.92 -1.272 . . . . 1.3 109.92 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.653 ' O ' HG23 ' A' ' 21' ' ' THR . 5.2 t -90.54 86.84 6.53 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.043 -1.269 . . . . 1.05 110.217 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 1.1 mp0 -79.83 158.76 26.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.238 -0.914 . . . . 2.59 109.037 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -105.84 73.97 0.29 Allowed Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.256 -0.902 . . . . 2.32 110.236 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.86 143.38 91.49 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.035 1.157 . . . . 0.86 111.757 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' A' ' 25' ' ' ARG . 45.9 mtt-85 -68.96 -14.31 62.96 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.275 -0.891 . . . . 3.74 109.942 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -68.1 -6.28 22.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.083 -1.011 . . . . 0.87 109.824 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -100.58 -21.53 15.26 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.319 -0.863 . . . . 1.06 110.645 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 p -107.35 -41.41 5.1 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.119 -0.988 . . . . 0.66 110.476 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.39 -28.46 69.26 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.039 -1.038 . . . . 2.82 110.192 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -53.54 -38.29 63.66 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.711 0.767 . . . . 0.44 109.267 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.545 ' CG ' HH21 ' A' ' 47' ' ' ARG . 74.0 mm-40 -91.55 148.88 21.97 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.409 -0.807 . . . . 1.3 109.084 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -114.82 149.92 43.21 Favored Pre-proline 0 N--CA 1.494 1.758 0 N-CA-C 108.921 -0.77 . . . . 2.07 108.921 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -38.05 154.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.365 2.043 . . . . 0.48 111.578 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.83 136.18 22.75 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.835 -1.166 . . . . 0.27 110.476 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 36' ' ' CYS . 51.0 m -117.1 158.96 23.32 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.671 -0.862 . . . . 0.39 108.671 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.421 ' N ' HG22 ' A' ' 35' ' ' THR . 1.8 t -105.07 103.66 42.91 Favored Pre-proline 0 N--CA 1.504 2.248 0 O-C-N 121.306 -0.871 . . . . 0.42 108.925 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -53.69 -4.55 0.23 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.067 1.845 . . . . 0.8 113.851 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.9 mt -96.29 -64.21 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 120.778 -1.201 . . . . 0.53 109.863 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.4 p -106.93 11.32 30.02 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.978 -0.749 . . . . 0.47 108.978 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' CYS . 90.9 m-85 55.46 25.45 7.78 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.842 -0.536 . . . . 0.66 110.529 178.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.502 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.91 135.07 57.68 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.208 -1.404 . . . . 0.38 107.208 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.6 t -92.04 109.12 20.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 O-C-N 120.993 -1.067 . . . . 0.42 109.806 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' ALA . 42.2 mm -109.12 129.54 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 N-CA-C 107.627 -1.249 . . . . 0.26 107.627 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -71.94 -64.74 0.88 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.753 -1.217 . . . . 2.05 110.437 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -78.96 140.54 38.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.36 -0.837 . . . . 1.22 110.664 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.9 p -67.69 -32.4 73.03 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.694 -0.629 . . . . 0.35 110.917 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.545 HH21 ' CG ' ' A' ' 31' ' ' GLU . 13.9 ptp180 -59.41 -40.63 87.28 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.908 -1.12 . . . . 0.86 109.442 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.408 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 97.6 m-20 -69.45 -29.4 67.08 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.536 -0.727 . . . . 0.33 109.698 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.2 tp -60.0 -46.43 89.51 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.408 -0.807 . . . . 0.37 109.151 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -59.89 -40.22 87.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.842 -1.161 . . . . 3.24 108.178 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -63.82 -36.77 84.99 Favored 'General case' 0 C--N 1.296 -1.733 0 C-N-CA 119.747 -0.781 . . . . 0.45 109.353 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -63.22 -33.46 75.54 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.292 -0.88 . . . . 0.33 110.011 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.78 -47.63 82.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.923 -1.111 . . . . 0.44 110.04 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.818 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 93.5 mt-10 -72.49 -21.5 61.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.272 -0.892 . . . . 2.08 111.808 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.16 -35.97 12.27 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.556 -1.34 . . . . 0.5 112.075 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.518 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.1 mmm180 -110.48 13.75 22.67 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.909 -1.119 . . . . 2.21 112.025 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.518 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.8 m-70 -152.56 -72.1 0.15 Allowed 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.389 -1.444 . . . . 0.67 111.444 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -80.47 9.82 5.46 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.753 -1.217 . . . . 0.88 110.672 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.818 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.301 -1.541 0 O-C-N 120.958 -1.089 . . . . 1.07 109.489 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 120.949 0.404 . . . . 0.93 109.96 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -93.78 9.2 38.15 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.782 -0.821 . . . . 2.1 108.782 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.629 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.0 m80 -78.91 -30.68 0.68 Allowed Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.337 -0.852 . . . . 3.25 112.403 -178.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.0 Cg_exo -54.21 143.75 62.51 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.963 1.775 . . . . 1.0 111.518 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -77.87 173.59 13.83 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.645 2.23 . . . . 1.37 111.886 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.24 31.96 49.98 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.389 -1.484 . . . . 1.3 109.389 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 21' ' ' THR . 13.5 t -90.52 88.73 7.26 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.123 -1.222 . . . . 1.05 109.715 -179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -81.08 141.95 33.81 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.981 -1.074 . . . . 2.59 108.667 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -106.54 72.94 0.3 Allowed Pre-proline 0 N--CA 1.504 2.235 0 O-C-N 121.115 -0.99 . . . . 2.32 110.476 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -64.95 142.32 74.7 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.27 1.313 . . . . 0.86 111.263 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' H ' ' CD ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -70.52 -6.72 38.34 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.27 -0.894 . . . . 3.74 109.449 -179.19 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.3 m -70.29 -7.76 45.02 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.258 -0.901 . . . . 0.87 109.931 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -102.13 -23.3 14.07 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.005 -1.059 . . . . 1.06 110.614 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 p -103.12 -36.31 8.18 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.969 -1.082 . . . . 0.66 110.336 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.2 -30.07 69.13 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.009 -1.057 . . . . 2.82 110.164 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.4 m -59.64 -30.57 68.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.263 -0.898 . . . . 0.44 109.476 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -84.35 143.37 29.53 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.153 -0.967 . . . . 1.3 110.412 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 44' ' ' ARG . 92.9 mt-30 -115.75 153.52 48.01 Favored Pre-proline 0 N--CA 1.501 2.117 0 N-CA-C 108.889 -0.782 . . . . 2.07 108.889 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.09 154.55 17.62 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 122.291 1.994 . . . . 0.48 111.726 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 43' ' ' ILE . . . -149.99 136.65 19.2 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.856 -1.153 . . . . 0.27 111.104 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.508 HG22 ' N ' ' A' ' 36' ' ' CYS . 87.8 m -114.48 161.46 17.96 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.526 -0.734 . . . . 0.39 109.371 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.508 ' N ' HG22 ' A' ' 35' ' ' THR . 6.3 t -106.36 100.45 29.72 Favored Pre-proline 0 N--CA 1.504 2.227 0 O-C-N 121.459 -0.776 . . . . 0.42 109.664 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.74 -0.59 0.09 OUTLIER 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.246 1.964 . . . . 0.8 113.35 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.424 ' H ' ' C ' ' A' ' 36' ' ' CYS . 17.3 mt -98.33 -63.95 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.896 -1.128 . . . . 0.53 109.71 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.9 p -109.21 13.15 24.55 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.585 -0.895 . . . . 0.47 108.585 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 55.44 19.04 2.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.835 -0.54 . . . . 0.66 110.947 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.588 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.23 136.37 57.94 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.603 -1.258 . . . . 0.38 107.603 178.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -95.84 112.23 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 120.7 -1.25 . . . . 0.42 110.449 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 34' ' ' ALA . 26.8 mm -109.29 129.91 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 107.026 -1.472 . . . . 0.26 107.026 177.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.455 HH11 ' HG2' ' A' ' 44' ' ' ARG . 17.9 mtt-85 -71.73 -61.76 1.66 Allowed 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.864 -1.148 . . . . 2.05 110.329 -178.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.57 HE22 ' NH2' ' A' ' 47' ' ' ARG . 76.4 mt-30 -78.26 136.59 37.79 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.9 -1.125 . . . . 1.22 110.76 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.7 p -66.49 -38.96 88.4 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.317 -0.865 . . . . 0.35 110.252 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.57 ' NH2' HE22 ' A' ' 45' ' ' GLN . 26.6 ptt180 -55.66 -38.78 70.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.963 -1.086 . . . . 0.86 108.639 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.82 -27.56 64.98 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.231 -0.918 . . . . 0.33 109.576 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.76 -46.67 88.44 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.701 -1.249 . . . . 0.37 108.991 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -55.64 -41.2 73.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.787 -1.196 . . . . 3.24 107.964 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -60.6 -42.08 96.05 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.464 -0.894 . . . . 0.45 108.768 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.52 -39.16 86.78 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.485 -0.759 . . . . 0.33 110.861 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.05 -41.77 83.99 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.955 -1.091 . . . . 0.44 109.588 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.821 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 94.0 mt-10 -73.44 -17.77 61.21 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.458 -0.776 . . . . 2.08 111.767 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -93.89 -50.18 5.47 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 120.687 -1.258 . . . . 0.5 113.462 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 3.4 mmp_? -106.15 26.26 9.98 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.613 -1.304 . . . . 2.21 111.775 -177.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 97.8 m-70 -155.35 -76.9 0.1 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.474 -1.392 . . . . 0.67 110.519 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -78.58 6.25 9.14 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.457 -0.777 . . . . 0.88 109.651 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.821 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.553 -0.717 . . . . 1.07 109.293 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 121.041 0.448 . . . . 0.93 110.746 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -94.11 8.59 41.02 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.418 -0.801 . . . . 2.1 109.923 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.62 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 12.3 t-80 -82.37 -34.33 0.66 Allowed Pre-proline 0 N--CA 1.501 2.121 0 O-C-N 120.85 -1.156 . . . . 3.25 111.882 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 37.1 Cg_exo -58.8 139.29 90.15 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 122.079 1.853 . . . . 1.0 111.843 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 18' ' ' PRO . 84.7 Cg_exo -44.09 179.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.094 1.863 . . . . 1.37 112.996 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.65 25.92 64.13 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 110.004 -1.238 . . . . 1.3 110.004 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 21' ' ' THR . 7.8 t -91.51 87.03 6.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.034 -1.274 . . . . 1.05 108.843 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -84.24 139.52 32.3 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.381 -0.825 . . . . 2.59 109.255 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -108.04 80.46 1.06 Allowed Pre-proline 0 N--CA 1.499 2.023 0 O-C-N 121.518 -0.739 . . . . 2.32 110.372 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.75 135.97 16.49 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 122.015 1.81 . . . . 0.86 112.243 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.97 -4.78 30.45 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.276 -0.89 . . . . 3.74 110.454 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -69.56 -14.45 62.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.043 -1.035 . . . . 0.87 110.009 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -105.86 -23.34 12.71 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.179 -0.951 . . . . 1.06 109.875 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 p -97.16 -29.74 13.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.077 -1.015 . . . . 0.66 108.446 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -72.3 -40.23 67.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.304 -0.872 . . . . 2.82 108.879 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -58.78 -29.98 67.22 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.43 -0.952 . . . . 0.44 108.43 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -80.59 138.87 36.49 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.516 -0.74 . . . . 1.3 109.358 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -123.87 152.63 66.57 Favored Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 121.561 -0.712 . . . . 2.07 109.103 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -41.88 152.68 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.281 0 C-N-CA 121.734 1.623 . . . . 0.48 112.168 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 43' ' ' ILE . . . -149.08 131.19 15.39 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.285 -0.884 . . . . 0.27 109.736 -179.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 36' ' ' CYS . 35.2 m -116.17 160.78 19.91 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.478 -0.764 . . . . 0.39 110.763 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.499 ' N ' HG22 ' A' ' 35' ' ' THR . 8.1 t -106.58 100.63 31.6 Favored Pre-proline 0 N--CA 1.5 2.027 0 O-C-N 121.752 -0.592 . . . . 0.42 109.896 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.73 -2.1 0.18 Allowed 'Trans proline' 0 N--CA 1.502 2.019 0 C-N-CA 122.357 2.038 . . . . 0.8 113.552 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.9 mt -97.45 -55.0 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 120.994 -1.066 . . . . 0.53 109.507 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.677 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.8 p -117.95 15.18 14.26 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 108.571 -0.9 . . . . 0.47 108.571 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 36' ' ' CYS . 94.3 m-85 52.72 17.45 0.83 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.783 -0.573 . . . . 0.66 110.404 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.677 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.36 134.05 53.33 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.439 -1.319 . . . . 0.38 107.439 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.1 t -94.64 112.94 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.951 -1.093 . . . . 0.42 110.892 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.539 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 30.2 mm -111.03 121.39 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.278 -1.378 . . . . 0.26 107.278 178.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' A' ' 44' ' ' ARG . 14.6 mtt-85 -65.74 -52.65 49.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.791 -1.193 . . . . 2.05 110.582 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.56 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 47.5 mt-30 -83.69 137.65 33.68 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.287 -0.883 . . . . 1.22 111.307 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.2 p -66.93 -39.82 87.43 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.258 -0.901 . . . . 0.35 110.187 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.56 ' NH2' ' OE1' ' A' ' 45' ' ' GLN . 25.3 ptt180 -59.5 -39.41 83.71 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.07 -1.019 . . . . 0.86 109.082 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -67.17 -30.86 70.94 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.146 -0.971 . . . . 0.33 108.976 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.51 -45.5 93.57 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.05 -1.031 . . . . 0.37 109.746 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -56.85 -40.16 75.59 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.867 -1.145 . . . . 3.24 107.968 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -65.61 -37.35 86.37 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.69 -0.856 . . . . 0.45 108.69 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -61.61 -39.39 91.09 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.216 -0.928 . . . . 0.33 109.87 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.14 -44.19 95.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.085 -1.01 . . . . 0.44 110.607 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.604 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.3 mm-40 -74.31 -14.25 60.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.23 -0.919 . . . . 2.08 111.244 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 55' ' ' LEU . 84.2 mt -92.37 -51.95 4.9 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.472 -1.392 . . . . 0.5 112.437 -178.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.537 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 23.2 mmm180 -104.65 11.39 34.16 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.827 -1.17 . . . . 2.21 112.585 -177.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 65.2 m-70 -146.89 -77.96 0.17 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.247 -1.533 . . . . 0.67 110.714 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -77.49 21.91 0.26 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.044 -1.035 . . . . 0.88 110.233 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.472 -0.768 . . . . 1.07 110.507 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.901 0 CA-C-O 120.881 0.372 . . . . 0.93 110.836 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -95.65 7.59 45.85 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.146 -0.971 . . . . 2.1 109.765 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.604 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 24.0 t-80 -80.02 -30.12 0.59 Allowed Pre-proline 0 N--CA 1.494 1.771 0 O-C-N 121.22 -0.925 . . . . 3.25 112.693 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 73.9 Cg_exo -51.52 156.05 6.6 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 121.791 1.661 . . . . 1.0 112.122 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.93 170.6 0.99 Allowed 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.444 2.096 . . . . 1.37 111.829 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.98 24.27 72.29 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.996 -1.242 . . . . 1.3 109.996 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.657 ' O ' HG23 ' A' ' 21' ' ' THR . 7.8 t -93.67 88.54 5.87 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.103 -1.233 . . . . 1.05 109.565 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mp0 -79.71 150.48 30.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.181 -0.95 . . . . 2.59 108.906 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -106.07 74.46 0.32 Allowed Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.268 -0.895 . . . . 2.32 110.206 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.5 137.32 54.53 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 121.298 1.332 . . . . 0.86 111.475 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.419 ' HG2' ' NH1' ' A' ' 25' ' ' ARG . 6.1 tpt180 -71.11 -18.72 62.51 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.35 -0.843 . . . . 3.74 110.263 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -65.81 -4.29 6.42 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.02 -1.05 . . . . 0.87 112.218 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -104.74 -22.44 13.21 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.809 -1.182 . . . . 1.06 109.237 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 p -100.93 -34.07 9.94 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.292 -0.88 . . . . 0.66 109.461 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -60.03 -36.51 77.43 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.226 -0.921 . . . . 2.82 109.611 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.9 m -56.24 -30.94 63.06 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.018 -1.051 . . . . 0.44 109.457 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.489 ' CG ' HH21 ' A' ' 47' ' ' ARG . 71.7 mm-40 -94.54 138.49 32.37 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.2 -0.937 . . . . 1.3 110.169 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -118.11 153.2 51.26 Favored Pre-proline 0 N--CA 1.494 1.772 0 N-CA-C 108.686 -0.857 . . . . 2.07 108.686 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -42.1 154.14 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.851 1.7 . . . . 0.48 111.378 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.95 141.83 25.81 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.999 -1.063 . . . . 0.27 110.327 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.2 m -117.08 152.14 35.33 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.5 -0.75 . . . . 0.39 109.921 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.7 t -88.77 131.08 42.67 Favored Pre-proline 0 N--CA 1.498 1.941 0 O-C-N 121.153 -0.967 . . . . 0.42 108.999 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.53 -7.54 15.84 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 121.63 1.554 . . . . 0.8 112.736 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 83.3 mt -98.81 -52.66 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.159 -0.963 . . . . 0.53 110.052 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.694 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.1 p -118.32 27.0 9.22 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.286 -0.883 . . . . 0.47 110.731 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 41.96 18.55 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.309 -0.869 . . . . 0.66 111.252 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.694 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.52 136.91 57.66 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.281 -1.377 . . . . 0.38 107.281 178.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.24 114.27 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.009 -1.057 . . . . 0.42 110.77 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.3 mm -110.03 129.69 64.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 N-CA-C 108.009 -1.108 . . . . 0.26 108.009 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' A' ' 44' ' ' ARG . 36.4 mtt-85 -73.13 -65.14 0.84 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.889 -1.132 . . . . 2.05 110.624 -178.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -77.62 137.71 38.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.085 -1.01 . . . . 1.22 110.517 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.8 p -65.15 -37.57 87.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.506 -0.747 . . . . 0.35 109.642 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.489 HH21 ' CG ' ' A' ' 31' ' ' GLU . 12.7 ptp180 -54.6 -43.95 72.65 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.894 -1.129 . . . . 0.86 109.088 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.42 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 83.8 m-20 -63.52 -32.41 73.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.136 -0.978 . . . . 0.33 109.532 179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 tp -55.12 -44.05 74.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.893 -1.129 . . . . 0.37 108.992 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.549 HH11 ' CG ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -59.88 -40.67 89.47 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.089 -1.078 . . . . 3.24 108.089 179.425 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -65.26 -35.06 79.87 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.607 0.717 . . . . 0.45 109.58 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -63.62 -41.73 98.26 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.475 -0.766 . . . . 0.33 109.518 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.01 -40.35 88.93 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.184 -0.947 . . . . 0.44 109.754 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.761 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 92.7 mt-10 -73.7 -27.74 61.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.382 -0.824 . . . . 2.08 111.734 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -92.81 -42.05 9.76 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.761 -1.212 . . . . 0.5 112.081 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.53 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 24.4 mmm180 -106.36 17.79 22.9 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 120.729 -1.232 . . . . 2.21 112.761 -177.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.7 m-70 -155.83 -71.24 0.11 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.371 -1.455 . . . . 0.67 110.424 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -81.91 14.73 2.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.635 -0.665 . . . . 0.88 110.603 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.761 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.225 -0.922 . . . . 1.07 108.958 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 121.691 0.758 . . . . 0.93 111.604 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' NZ ' ' CB ' ' A' ' 16' ' ' LYS . 7.8 mtpm? -92.81 12.25 24.21 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.756 -0.831 . . . . 2.1 108.756 178.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 55.3 t-80 -82.31 -30.39 0.51 Allowed Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.164 -0.96 . . . . 3.25 112.589 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.2 Cg_exo -53.97 154.35 17.72 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 121.589 1.526 . . . . 1.0 111.964 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -76.78 -179.49 5.43 Favored 'Trans proline' 0 N--CA 1.502 1.992 0 C-N-CA 123.222 2.615 . . . . 1.37 112.889 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.33 24.54 68.08 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.331 -1.108 . . . . 1.3 110.331 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.587 ' O ' HG23 ' A' ' 21' ' ' THR . 3.3 t -94.1 89.3 5.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.164 -1.198 . . . . 1.05 108.927 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -79.08 154.97 28.99 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.276 -0.89 . . . . 2.59 108.864 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -108.05 75.97 0.57 Allowed Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.462 -0.774 . . . . 2.32 110.242 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.78 142.85 32.62 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.357 1.372 . . . . 0.86 111.031 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -70.95 -8.26 51.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.955 -1.091 . . . . 3.74 110.862 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.8 m -70.3 -6.84 37.97 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.056 -1.027 . . . . 0.87 110.231 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -100.66 -24.85 14.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.327 -0.858 . . . . 1.06 110.086 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.4 p -108.84 -30.98 7.87 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.271 -0.893 . . . . 0.66 109.465 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -62.28 -38.48 89.51 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.05 -1.031 . . . . 2.82 108.727 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.1 m -56.54 -32.97 65.63 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.504 0.669 . . . . 0.44 109.418 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -92.32 147.53 22.85 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.437 -0.789 . . . . 1.3 110.278 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -120.46 152.98 56.0 Favored Pre-proline 0 N--CA 1.498 1.959 0 N-CA-C 108.603 -0.888 . . . . 2.07 108.603 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -48.1 149.93 5.49 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.452 2.101 . . . . 0.48 111.904 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.11 135.14 26.97 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.571 -0.706 . . . . 0.27 110.26 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -115.16 144.8 43.13 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.148 -0.97 . . . . 0.39 110.226 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -77.73 130.83 72.3 Favored Pre-proline 0 C--N 1.303 -1.452 0 N-CA-C 108.701 -0.852 . . . . 0.42 108.701 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.04 -7.11 16.22 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 121.841 1.694 . . . . 0.8 112.1 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.4 mt -100.88 -58.49 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.276 -0.89 . . . . 0.53 111.069 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.5 p -111.18 19.64 18.16 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.186 -0.946 . . . . 0.47 110.759 -178.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 52.22 13.83 0.31 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.244 -0.91 . . . . 0.66 111.591 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.588 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -54.05 134.75 43.77 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.465 -1.309 . . . . 0.38 107.465 178.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -93.41 109.79 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.756 -1.215 . . . . 0.42 109.953 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.2 mm -104.77 128.7 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 107.662 -1.236 . . . . 0.26 107.662 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.446 HH11 ' HG2' ' A' ' 44' ' ' ARG . 19.3 mtt-85 -73.81 -61.82 1.71 Allowed 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.919 -1.113 . . . . 2.05 110.677 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -79.21 134.38 36.68 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.025 -1.047 . . . . 1.22 109.522 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -64.12 -30.54 71.6 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.587 -0.845 . . . . 0.35 109.206 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 10.4 ptp180 -57.76 -44.45 86.15 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.828 -1.17 . . . . 0.86 108.811 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.458 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 84.5 m-20 -64.84 -30.7 71.72 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.23 -0.919 . . . . 0.33 109.386 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.7 tp -56.12 -46.64 79.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.037 -1.04 . . . . 0.37 108.693 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -59.87 -40.7 89.55 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.11 -1.071 . . . . 3.24 108.11 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -66.63 -37.23 84.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.467 -0.771 . . . . 0.45 108.976 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -60.13 -39.54 86.62 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 109.29 -0.633 . . . . 0.33 109.29 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.67 -39.93 82.08 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.961 -1.087 . . . . 0.44 109.438 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.799 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 60.8 mm-40 -76.22 -22.18 55.52 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.155 -0.966 . . . . 2.08 112.786 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -93.58 -42.18 9.35 Favored 'General case' 0 N--CA 1.509 2.475 0 O-C-N 120.451 -1.406 . . . . 0.5 112.157 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.535 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.6 mmm180 -106.56 16.44 24.6 Favored 'General case' 0 N--CA 1.507 2.396 0 O-C-N 120.921 -1.112 . . . . 2.21 112.318 -177.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 95.0 m-70 -155.26 -70.95 0.12 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.364 -1.46 . . . . 0.67 111.002 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -80.58 12.99 2.73 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.117 -0.989 . . . . 0.88 109.026 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.799 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.179 -0.675 . . . . 1.07 109.179 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.831 0 N-CA-C 109.67 -0.493 . . . . 0.93 109.67 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -94.82 5.07 52.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.314 -0.867 . . . . 2.1 110.03 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.595 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.3 t-160 -80.87 -36.7 0.91 Allowed Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.026 -1.046 . . . . 3.25 112.322 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 78.5 Cg_exo -50.41 138.93 38.06 Favored 'Trans proline' 0 N--CA 1.504 2.103 0 C-N-CA 122.692 2.262 . . . . 1.0 113.948 -177.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -47.5 179.23 0.01 OUTLIER 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.07 1.847 . . . . 1.37 113.068 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.73 27.24 61.22 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.94 -1.264 . . . . 1.3 109.94 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.734 ' O ' HG23 ' A' ' 21' ' ' THR . 8.8 t -97.2 90.11 5.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.328 -1.101 . . . . 1.05 109.715 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -77.66 138.46 39.1 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.127 -1.434 . . . . 2.59 107.127 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.78 77.59 1.09 Allowed Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 121.536 -0.728 . . . . 2.32 111.485 -178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -52.61 145.03 39.8 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 N-CA-C 109.587 -0.967 . . . . 0.86 109.587 177.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -67.58 -22.68 65.37 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.057 -1.027 . . . . 3.74 109.511 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.6 m -68.71 -13.84 62.64 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.501 -0.749 . . . . 0.87 111.956 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -76.88 -49.57 15.38 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.535 -1.353 . . . . 1.06 111.453 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -95.32 -30.84 13.73 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.721 -1.237 . . . . 0.66 110.079 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -60.54 -36.0 77.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.831 -1.168 . . . . 2.82 109.707 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 m -59.81 -30.37 68.87 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.261 -0.899 . . . . 0.44 110.029 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -86.79 137.75 32.16 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.943 -1.098 . . . . 1.3 109.989 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -119.37 152.17 52.3 Favored Pre-proline 0 N--CA 1.505 2.292 0 O-C-N 121.587 -0.696 . . . . 2.07 109.644 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -42.61 152.82 0.17 Allowed 'Trans proline' 0 N--CA 1.488 1.196 0 C-N-CA 121.866 1.711 . . . . 0.48 111.767 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.0 139.28 28.96 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.331 -0.856 . . . . 0.27 109.97 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.2 m -117.92 145.58 44.56 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.596 -0.69 . . . . 0.39 110.279 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.6 t -86.08 127.73 60.67 Favored Pre-proline 0 N--CA 1.492 1.651 0 N-CA-C 108.615 -0.883 . . . . 0.42 108.615 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.67 -3.29 13.18 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.641 1.561 . . . . 0.8 112.633 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 75.5 mt -98.39 -48.79 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.305 -0.872 . . . . 0.53 109.957 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.629 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.4 p -124.23 24.62 8.04 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.391 -0.818 . . . . 0.47 110.144 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 46.85 18.69 0.07 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.3 -0.875 . . . . 0.66 111.299 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.629 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.63 138.99 57.56 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.351 -1.351 . . . . 0.38 107.351 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.7 t -99.78 110.87 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.044 -1.035 . . . . 0.42 110.38 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.1 mm -107.03 131.76 56.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 N-CA-C 106.524 -1.658 . . . . 0.26 106.524 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.502 HH11 ' HG2' ' A' ' 44' ' ' ARG . 30.2 mtt-85 -71.58 -63.4 1.13 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.658 -1.276 . . . . 2.05 111.218 -177.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.532 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 92.5 mt-30 -78.73 137.2 37.66 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.23 -0.918 . . . . 1.22 110.614 -178.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.2 p -64.49 -37.35 87.22 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.82 -0.55 . . . . 0.35 110.774 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.532 ' NH2' ' OE1' ' A' ' 45' ' ' GLN . 24.7 ptt180 -59.11 -36.01 74.42 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.479 -1.388 . . . . 0.86 109.274 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -73.37 -23.16 60.15 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.104 -0.997 . . . . 0.33 109.113 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.5 tp -59.78 -48.1 83.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.085 -1.009 . . . . 0.37 108.528 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -59.34 -40.2 85.59 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.644 -1.243 . . . . 3.24 107.644 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -61.28 -36.63 80.58 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.521 0.676 . . . . 0.45 109.682 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -64.67 -36.64 84.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.33 109.472 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.51 -41.09 93.63 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.241 -0.912 . . . . 0.44 110.186 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.648 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 97.3 mt-10 -74.67 -16.18 60.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.293 -0.879 . . . . 2.08 110.888 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.4 mt -95.92 -48.9 5.52 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.869 -1.145 . . . . 0.5 112.553 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.542 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 21.7 mmm180 -105.95 14.81 27.46 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 121.007 -1.058 . . . . 2.21 112.353 -177.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.542 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 84.9 m-70 -150.69 -73.87 0.16 Allowed 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.277 -1.514 . . . . 0.67 111.188 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -79.42 13.01 2.13 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.383 -0.823 . . . . 0.88 109.141 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.492 -0.559 . . . . 1.07 109.492 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 120.934 0.397 . . . . 0.93 110.277 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -94.8 1.26 55.38 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.439 -0.788 . . . . 2.1 110.815 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.636 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 45.4 t-80 -83.54 -30.98 0.49 Allowed Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 120.897 -1.127 . . . . 3.25 112.746 -178.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 77.2 Cg_exo -49.24 153.09 4.78 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.223 1.949 . . . . 1.0 112.322 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -73.58 170.09 20.8 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.81 2.34 . . . . 1.37 112.25 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.87 13.99 81.48 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 110.304 -1.119 . . . . 1.3 110.304 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 21' ' ' THR . 9.0 t -91.61 91.41 8.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.951 -1.323 . . . . 1.05 109.492 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -79.72 159.62 26.56 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.777 -0.823 . . . . 2.59 108.777 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -106.37 69.02 0.22 Allowed Pre-proline 0 N--CA 1.499 1.987 0 O-C-N 121.46 -0.775 . . . . 2.32 110.153 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -63.31 134.34 44.79 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 121.538 1.492 . . . . 0.86 111.656 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' A' ' 25' ' ' ARG . 62.5 mtt-85 -75.01 -3.98 35.6 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.3 -0.875 . . . . 3.74 110.212 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -69.97 -15.66 63.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.821 -1.175 . . . . 0.87 109.202 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -97.22 -18.08 19.46 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.245 -0.909 . . . . 1.06 109.839 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.5 p -105.56 -30.13 9.71 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.106 -0.996 . . . . 0.66 110.569 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -67.65 -29.63 68.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.898 -1.126 . . . . 2.82 109.136 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 m -60.75 -32.33 71.63 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.797 0.808 . . . . 0.44 108.838 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -93.41 139.24 30.92 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 109.058 -0.719 . . . . 1.3 109.058 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.503 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 0.9 OUTLIER -116.1 150.72 45.65 Favored Pre-proline 0 N--CA 1.502 2.138 0 O-C-N 121.613 -0.679 . . . . 2.07 109.694 -179.66 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -38.73 150.26 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.515 2.143 . . . . 0.48 112.048 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -147.04 132.33 18.47 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.283 -0.886 . . . . 0.27 110.646 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.5 HG22 ' N ' ' A' ' 36' ' ' CYS . 90.8 m -110.47 161.79 15.33 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.626 -0.671 . . . . 0.39 109.282 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.554 ' O ' ' N ' ' A' ' 40' ' ' TYR . 18.0 t -105.86 103.17 42.89 Favored Pre-proline 0 N--CA 1.499 1.995 0 O-C-N 121.566 -0.709 . . . . 0.42 109.472 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.53 -1.31 0.67 Allowed 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 121.812 1.674 . . . . 0.8 113.125 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 75.7 mt -97.4 -46.95 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.027 -1.046 . . . . 0.53 109.321 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 18.3 p -123.93 10.48 8.88 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.386 -0.821 . . . . 0.47 109.05 178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.554 ' N ' ' O ' ' A' ' 36' ' ' CYS . 96.2 m-85 55.57 18.82 2.91 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.534 -0.729 . . . . 0.66 110.361 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.627 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.95 140.03 56.99 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.663 -1.236 . . . . 0.38 107.663 178.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.4 t -95.44 110.03 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.055 -1.028 . . . . 0.42 110.3 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 34' ' ' ALA . 39.1 mm -108.07 129.45 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 106.348 -1.723 . . . . 0.26 106.348 177.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.467 HH11 ' HG2' ' A' ' 44' ' ' ARG . 10.3 mtt-85 -70.4 -61.23 1.85 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.625 -1.297 . . . . 2.05 110.596 -177.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.716 HE22 ' NH2' ' A' ' 47' ' ' ARG . 98.3 mt-30 -77.45 139.7 39.7 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.169 -0.957 . . . . 1.22 109.921 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.5 p -70.35 -40.22 74.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.179 -0.951 . . . . 0.35 109.836 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.716 ' NH2' HE22 ' A' ' 45' ' ' GLN . 27.0 ptt180 -55.3 -41.41 72.32 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.756 -1.215 . . . . 0.86 108.745 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -66.08 -29.87 70.28 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.126 -0.984 . . . . 0.33 109.73 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.458 HD22 ' HB1' ' A' ' 34' ' ' ALA . 60.2 tp -60.0 -44.11 94.75 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.025 -1.047 . . . . 0.37 109.688 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.459 HH11 ' HG2' ' A' ' 50' ' ' ARG . 16.9 ttt-85 -60.02 -41.13 91.52 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.943 -1.098 . . . . 3.24 108.702 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -64.61 -34.53 78.48 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.578 -0.849 . . . . 0.45 109.04 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -63.35 -35.59 80.89 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.212 -0.93 . . . . 0.33 109.199 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.38 -48.72 80.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.933 . . . . 0.44 110.253 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.728 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 71.5 mt-10 -68.81 -20.91 64.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.124 -0.985 . . . . 2.08 111.558 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.9 mt -93.17 -32.27 14.46 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.68 -1.263 . . . . 0.5 112.381 -178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.516 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 16.4 mmm-85 -115.53 0.78 13.44 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 120.927 -1.108 . . . . 2.21 112.859 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 60.9 m-70 -146.0 -68.22 0.28 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 120.324 -1.485 . . . . 0.67 110.594 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.7 15.94 0.95 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.063 -1.023 . . . . 0.88 110.181 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.287 -0.883 . . . . 1.07 108.962 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 121.517 0.675 . . . . 0.93 110.989 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -93.46 6.67 47.4 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.54 -0.725 . . . . 2.1 109.343 178.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.594 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 15.5 t60 -77.95 -30.91 0.76 Allowed Pre-proline 0 N--CA 1.495 1.812 0 O-C-N 121.181 -0.949 . . . . 3.25 112.699 -177.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.6 Cg_exo -53.51 152.31 21.38 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 121.722 1.615 . . . . 1.0 111.744 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -78.0 176.83 9.52 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.779 2.32 . . . . 1.37 112.893 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.23 37.97 54.43 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.157 -1.177 . . . . 1.3 110.157 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.693 ' O ' HG23 ' A' ' 21' ' ' THR . 15.1 t -88.55 99.34 12.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.044 -1.268 . . . . 1.05 109.36 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -82.14 145.02 30.35 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.602 -0.888 . . . . 2.59 108.602 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.508 ' HB3' ' HZ3' ' A' ' 23' ' ' LYS . 7.7 mmmm -106.77 72.36 0.3 Allowed Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 121.526 -0.734 . . . . 2.32 111.22 -178.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.88 136.79 33.55 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.548 1.498 . . . . 0.86 111.667 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.55 ' HG2' HH11 ' A' ' 25' ' ' ARG . 20.7 mtt-85 -72.51 -10.02 59.28 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.329 -0.857 . . . . 3.74 110.096 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -72.01 1.06 7.89 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.093 -1.004 . . . . 0.87 111.054 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -101.1 -26.84 13.55 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.712 -1.243 . . . . 1.06 109.503 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 p -111.07 -33.24 6.53 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.545 -0.722 . . . . 0.66 110.089 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.404 ' OE1' ' O ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -61.13 -40.0 92.15 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.463 -0.773 . . . . 2.82 110.133 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.3 m -60.6 -30.81 70.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.353 -0.842 . . . . 0.44 109.224 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -90.34 134.83 34.06 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.442 -0.786 . . . . 1.3 109.803 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -115.02 148.91 41.59 Favored Pre-proline 0 N--CA 1.503 2.18 0 N-CA-C 108.755 -0.832 . . . . 2.07 108.755 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -37.38 155.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.242 0 C-N-CA 122.256 1.971 . . . . 0.48 112.878 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -147.89 132.93 18.21 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.349 -0.844 . . . . 0.27 110.149 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.0 m -112.4 145.61 39.82 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.579 -0.701 . . . . 0.39 109.642 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.29 129.67 54.7 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.123 -0.986 . . . . 0.42 108.522 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -78.58 -5.85 15.05 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 121.571 1.514 . . . . 0.8 112.932 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 38' ' ' ILE . 49.1 mt -99.41 -43.71 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.225 -0.922 . . . . 0.53 110.539 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.5 p -126.95 19.15 7.14 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.204 -0.935 . . . . 0.47 110.33 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 52.93 14.48 0.45 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.465 -0.772 . . . . 0.66 111.727 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.521 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.02 139.94 53.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.541 -1.349 . . . . 0.38 108.233 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.7 t -94.46 116.83 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.061 -1.024 . . . . 0.42 109.993 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' ALA . 30.9 mm -111.92 129.99 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 106.777 -1.564 . . . . 0.26 106.777 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -75.45 -62.6 1.52 Allowed 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.557 -1.34 . . . . 2.05 109.935 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -80.97 133.16 35.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.908 -1.12 . . . . 1.22 110.603 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.8 p -63.99 -28.07 69.56 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.508 -0.745 . . . . 0.35 110.265 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -59.69 -40.04 86.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.543 -1.348 . . . . 0.86 108.358 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -70.8 -26.63 63.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.4 -0.813 . . . . 0.33 109.389 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.7 tp -57.96 -47.33 83.24 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 119.183 -1.007 . . . . 0.37 108.339 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.54 ' HG2' HH11 ' A' ' 50' ' ' ARG . 7.4 mmt-85 -59.03 -40.89 86.39 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.05 -1.031 . . . . 3.24 108.257 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -63.28 -39.27 94.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.444 -0.785 . . . . 0.45 109.195 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -61.16 -36.82 80.83 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.519 -0.738 . . . . 0.33 109.468 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.12 -44.68 96.97 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.929 -1.107 . . . . 0.44 109.447 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.757 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 92.3 mt-10 -70.85 -28.85 64.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.305 -0.872 . . . . 2.08 112.033 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.1 mt -85.91 -48.9 8.3 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.692 -1.255 . . . . 0.5 112.73 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.5 mmm180 -103.37 18.3 22.12 Favored 'General case' 0 N--CA 1.507 2.421 0 O-C-N 120.798 -1.189 . . . . 2.21 112.261 -177.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.488 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 95.3 m-70 -153.6 -76.7 0.11 Allowed 'General case' 0 N--CA 1.502 2.162 0 O-C-N 119.978 -1.702 . . . . 0.67 111.273 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -79.44 20.31 0.56 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.982 -1.074 . . . . 0.88 110.138 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.293 -1.87 0 O-C-N 121.585 -0.697 . . . . 1.07 109.54 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 121.099 0.476 . . . . 0.93 110.293 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -95.97 10.93 35.74 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.395 -0.816 . . . . 2.1 109.811 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.623 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 13.1 t60 -81.38 -28.9 0.49 Allowed Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.226 -0.921 . . . . 3.25 112.466 -179.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 76.5 Cg_exo -50.36 155.91 4.49 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 121.406 1.404 . . . . 1.0 111.006 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.03 179.94 3.98 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.019 1.813 . . . . 1.37 112.143 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.68 15.82 79.28 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.319 -1.512 . . . . 1.3 109.319 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.723 ' O ' HG23 ' A' ' 21' ' ' THR . 8.8 t -91.85 91.61 7.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.362 -1.081 . . . . 1.05 108.983 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -73.68 149.09 42.16 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.576 -0.702 . . . . 2.59 109.475 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -106.66 72.96 0.31 Allowed Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.474 -0.767 . . . . 2.32 110.464 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.25 141.73 63.92 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 121.775 1.65 . . . . 0.86 111.953 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -73.49 -6.51 46.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.131 -0.981 . . . . 3.74 110.113 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -72.02 -7.05 46.55 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.205 -0.935 . . . . 0.87 109.308 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.2 mmt-85 -104.29 -23.54 13.21 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.454 -0.779 . . . . 1.06 109.943 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 p -107.9 -36.47 6.36 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.368 -0.832 . . . . 0.66 109.182 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.97 -42.64 94.57 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.079 -1.013 . . . . 2.82 109.818 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.2 m -55.25 -30.09 59.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.041 -1.037 . . . . 0.44 109.932 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -92.79 137.39 32.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.131 -0.981 . . . . 1.3 109.758 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -117.15 153.66 49.81 Favored Pre-proline 0 N--CA 1.497 1.91 0 N-CA-C 108.278 -1.008 . . . . 2.07 108.278 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.08 153.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 121.414 1.409 . . . . 0.48 112.188 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.51 133.5 22.68 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.511 -0.743 . . . . 0.27 110.209 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 36' ' ' CYS . 38.7 m -111.08 161.46 15.88 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.907 -0.775 . . . . 0.39 108.907 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.447 ' N ' HG22 ' A' ' 35' ' ' THR . 2.9 t -102.76 106.26 49.06 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.381 -0.825 . . . . 0.42 109.179 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.66 -5.78 0.33 Allowed 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 121.607 1.538 . . . . 0.8 112.793 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mt -97.9 -68.5 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 120.915 -1.116 . . . . 0.53 110.243 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.639 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.9 p -104.47 21.45 16.69 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.32 -0.862 . . . . 0.47 109.413 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 47.5 17.78 0.09 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.646 -0.659 . . . . 0.66 111.429 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.639 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.59 141.57 47.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.965 -1.084 . . . . 0.38 108.277 178.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 t -96.41 115.41 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 120.853 -1.154 . . . . 0.42 110.33 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' ALA . 33.1 mm -110.96 124.52 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 N-CA-C 107.235 -1.394 . . . . 0.26 107.235 177.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -69.85 -56.81 6.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.635 -1.291 . . . . 2.05 110.173 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -83.2 134.62 34.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.1 -1.0 . . . . 1.22 110.806 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.6 p -64.48 -40.17 95.18 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.437 -0.79 . . . . 0.35 110.928 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -56.87 -36.79 70.48 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.56 -1.338 . . . . 0.86 108.937 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -68.83 -28.11 66.44 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.206 -0.934 . . . . 0.33 109.212 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.49 -46.55 88.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.937 -1.102 . . . . 0.37 109.138 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -57.36 -43.23 83.34 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.872 -1.158 . . . . 3.24 107.872 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -60.41 -38.82 85.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.404 -0.81 . . . . 0.45 109.424 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -60.63 -39.42 88.2 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.488 -0.758 . . . . 0.33 109.911 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.44 -40.47 86.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.909 -1.12 . . . . 0.44 109.173 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.922 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 66.8 mm-40 -74.35 -26.77 60.33 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.612 -0.68 . . . . 2.08 112.236 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.5 mt -92.69 -44.04 8.76 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.641 -1.287 . . . . 0.5 112.793 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 3.5 mmp_? -103.98 20.63 17.84 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 120.418 -1.426 . . . . 2.21 112.745 -178.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.5 m-70 -152.74 -69.36 0.15 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.052 -1.655 . . . . 0.67 111.553 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -78.94 -2.36 39.64 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.51 -1.369 . . . . 0.88 108.599 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.922 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.302 -1.497 0 N-CA-C 109.0 -0.741 . . . . 1.07 109.0 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 120.888 0.375 . . . . 0.93 110.676 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -93.4 10.02 33.98 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.303 -0.873 . . . . 2.1 108.968 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.625 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 9.8 m170 -82.96 -30.32 0.48 Allowed Pre-proline 0 N--CA 1.497 1.888 0 N-CA-C 113.48 0.919 . . . . 3.25 113.48 -177.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.2 Cg_exo -52.04 145.55 33.1 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 121.941 1.761 . . . . 1.0 112.924 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.57 167.7 26.5 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.327 2.018 . . . . 1.37 112.025 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.28 28.7 61.46 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.612 -1.395 . . . . 1.3 109.612 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.694 ' O ' HG23 ' A' ' 21' ' ' THR . 9.2 t -91.65 87.2 6.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.936 -1.332 . . . . 1.05 109.572 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -84.34 139.16 32.47 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.19 -0.944 . . . . 2.59 109.643 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -86.31 116.25 65.13 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.872 . . . . 2.32 109.732 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -86.07 139.63 6.35 Favored 'Trans proline' 0 C--N 1.316 -1.174 0 C-N-CA 122.002 1.801 . . . . 0.86 110.877 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.445 ' HG2' HH11 ' A' ' 25' ' ' ARG . 30.1 mtt-85 -67.32 -22.92 65.59 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 121.198 -0.939 . . . . 3.74 109.978 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.2 m -66.44 -12.5 57.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.072 -1.017 . . . . 0.87 111.025 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.539 ' CG ' HH11 ' A' ' 27' ' ' ARG . 0.1 OUTLIER -93.35 -19.31 21.46 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.498 -1.377 . . . . 1.06 110.853 -179.513 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.3 p -111.57 -40.32 4.38 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.008 -1.057 . . . . 0.66 109.83 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -59.79 -33.24 71.46 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.027 -1.045 . . . . 2.82 109.195 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.2 m -59.61 -37.76 79.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.336 -0.852 . . . . 0.44 109.964 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.538 ' OE2' ' NH2' ' A' ' 47' ' ' ARG . 67.3 mm-40 -86.86 137.3 32.52 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.905 -1.122 . . . . 1.3 109.029 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -110.26 149.67 40.47 Favored Pre-proline 0 N--CA 1.502 2.163 0 N-CA-C 108.235 -1.024 . . . . 2.07 108.235 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -38.09 154.9 0.03 OUTLIER 'Trans proline' 0 N--CA 1.486 1.072 0 C-N-CA 122.087 1.858 . . . . 0.48 111.527 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.96 128.82 16.35 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.161 -0.962 . . . . 0.27 110.451 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.0 m -112.24 153.26 27.38 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.483 0.659 . . . . 0.39 109.368 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.1 t -91.82 127.39 50.12 Favored Pre-proline 0 N--CA 1.492 1.657 0 N-CA-C 108.677 -0.86 . . . . 0.42 108.677 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.16 -5.01 15.83 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 121.42 1.414 . . . . 0.8 112.419 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -98.09 -42.07 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.179 -0.95 . . . . 0.53 110.384 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.527 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.4 p -132.6 21.62 4.29 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.454 -0.779 . . . . 0.47 110.669 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 51.43 18.01 0.61 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.249 -0.907 . . . . 0.66 111.886 178.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.527 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.7 132.87 54.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.632 -1.292 . . . . 0.38 108.045 178.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.24 109.68 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 120.832 -1.168 . . . . 0.42 110.364 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.9 mm -110.53 125.15 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 107.991 -1.114 . . . . 0.26 107.991 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.543 HH11 ' HG2' ' A' ' 44' ' ' ARG . 22.0 mtt-85 -67.76 -57.3 6.58 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.084 -1.01 . . . . 2.05 111.223 -178.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -80.06 133.87 36.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.019 -1.05 . . . . 1.22 110.377 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.5 p -63.45 -36.9 85.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.192 -0.942 . . . . 0.35 109.372 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.538 ' NH2' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.4 -40.28 86.1 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.013 -1.054 . . . . 0.86 109.667 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -65.68 -30.37 71.05 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.086 -1.009 . . . . 0.33 109.229 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.23 -47.16 87.16 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.119 -0.988 . . . . 0.37 110.195 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -56.98 -40.58 76.8 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.525 -1.36 . . . . 3.24 108.146 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -60.79 -39.75 90.07 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.935 -0.765 . . . . 0.45 108.935 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -62.11 -35.17 77.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.567 -0.708 . . . . 0.33 109.793 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.79 -46.76 88.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.14 -0.975 . . . . 0.44 109.528 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.593 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 49.2 mt-10 -72.57 -17.13 61.73 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.277 -0.889 . . . . 2.08 111.984 -179.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.16 -47.08 7.12 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.375 -1.453 . . . . 0.5 112.923 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.495 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 21.4 mmm180 -106.37 15.09 26.52 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 120.653 -1.28 . . . . 2.21 112.516 -177.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.495 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 87.5 m-70 -150.9 -74.25 0.15 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.281 -1.512 . . . . 0.67 111.006 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -78.88 13.19 1.81 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.248 -0.907 . . . . 0.88 108.925 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.301 -1.502 0 O-C-N 121.385 -0.822 . . . . 1.07 109.1 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.206 -0.664 . . . . 0.93 109.206 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -94.62 4.17 54.17 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.287 -0.883 . . . . 2.1 109.816 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.608 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 55.0 t-80 -80.02 -32.75 0.73 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.379 -0.825 . . . . 3.25 112.575 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 50.8 Cg_exo -53.66 145.23 49.63 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 121.935 1.756 . . . . 1.0 112.487 -178.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -75.92 171.54 17.96 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.451 2.101 . . . . 1.37 113.194 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.71 24.69 66.73 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.123 -1.191 . . . . 1.3 110.123 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 21' ' ' THR . 5.0 t -88.48 91.99 9.01 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.866 -1.373 . . . . 1.05 108.89 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -78.45 148.67 33.46 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.528 -0.733 . . . . 2.59 110.27 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -106.3 75.9 0.38 Allowed Pre-proline 0 N--CA 1.501 2.12 0 O-C-N 121.367 -0.833 . . . . 2.32 110.247 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -61.11 143.28 98.83 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.235 1.29 . . . . 0.86 111.494 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.492 ' HG2' HH11 ' A' ' 25' ' ' ARG . 21.5 mtt-85 -71.84 -9.83 58.89 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.455 -0.778 . . . . 3.74 109.766 -179.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 m -73.02 -6.21 43.98 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.171 -0.956 . . . . 0.87 110.019 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -109.99 -26.68 9.6 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.327 -0.858 . . . . 1.06 110.753 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 p -106.08 -33.82 7.75 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.208 -0.933 . . . . 0.66 109.171 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -58.98 -39.58 82.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.027 -1.046 . . . . 2.82 108.731 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.5 m -59.02 -20.26 51.48 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.036 -1.04 . . . . 0.44 109.662 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -88.02 134.33 33.76 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.116 -0.99 . . . . 1.3 110.732 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -116.19 152.87 48.34 Favored Pre-proline 0 N--CA 1.504 2.238 0 N-CA-C 108.937 -0.764 . . . . 2.07 108.937 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.85 150.23 23.52 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 121.757 1.638 . . . . 0.48 111.281 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -141.04 132.43 26.76 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.576 -0.703 . . . . 0.27 110.019 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -115.72 141.36 48.19 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.558 -0.714 . . . . 0.39 109.719 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.9 t -77.51 129.39 77.32 Favored Pre-proline 0 N--CA 1.493 1.701 0 N-CA-C 108.616 -0.883 . . . . 0.42 108.616 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -79.85 -6.93 14.4 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.207 1.271 . . . . 0.8 111.908 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.7 mt -97.3 -53.38 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.453 -0.779 . . . . 0.53 110.39 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.4 p -117.59 21.68 12.85 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.494 -0.754 . . . . 0.47 110.864 -178.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 48.6 16.0 0.1 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.197 -0.939 . . . . 0.66 111.689 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.565 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.18 136.63 57.3 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.593 -1.317 . . . . 0.38 107.469 178.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.13 112.91 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.022 -1.049 . . . . 0.42 110.413 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.8 mm -108.99 129.4 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 107.712 -1.218 . . . . 0.26 107.712 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.443 HH11 ' HG2' ' A' ' 44' ' ' ARG . 21.0 mtt-85 -74.98 -56.82 4.36 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.629 -1.294 . . . . 2.05 110.656 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.492 ' OE1' ' NE ' ' A' ' 47' ' ' ARG . 93.5 mt-30 -80.42 136.18 36.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.611 -1.305 . . . . 1.22 110.343 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.9 p -67.89 -36.61 80.54 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.361 -0.837 . . . . 0.35 110.052 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.492 ' NE ' ' OE1' ' A' ' 45' ' ' GLN . 21.6 ptt180 -58.48 -38.56 77.88 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.618 -1.301 . . . . 0.86 108.944 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.49 -35.83 81.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.155 -0.966 . . . . 0.33 108.97 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.404 HD22 ' HB1' ' A' ' 34' ' ' ALA . 44.8 tp -52.2 -45.56 65.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.062 -1.024 . . . . 0.37 109.161 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -60.12 -40.32 89.32 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.671 -1.233 . . . . 3.24 107.671 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -64.38 -36.41 84.06 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.415 0.626 . . . . 0.45 109.529 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -62.41 -38.75 90.89 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.481 -0.762 . . . . 0.33 109.958 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.74 -42.08 92.39 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.024 -1.048 . . . . 0.44 109.032 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.688 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 90.7 mt-10 -73.33 -20.48 60.78 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.888 -1.132 . . . . 2.08 111.161 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.3 mt -84.37 -60.08 2.19 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.707 -1.246 . . . . 0.5 112.835 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.4 mmm180 -105.85 27.91 8.06 Favored 'General case' 0 N--CA 1.511 2.587 0 O-C-N 120.694 -1.254 . . . . 2.21 112.522 -176.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.9 m-70 -151.97 -75.86 0.13 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.139 -1.601 . . . . 0.67 110.93 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -75.96 5.42 6.57 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.144 -0.972 . . . . 0.88 110.046 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.315 -0.866 . . . . 1.07 109.844 179.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.586 -0.524 . . . . 0.93 109.586 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -93.85 5.41 51.74 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.427 -0.795 . . . . 2.1 110.01 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.606 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 28.6 t-80 -78.85 -31.42 0.73 Allowed Pre-proline 0 C--N 1.3 -1.572 0 O-C-N 120.891 -1.131 . . . . 3.25 112.466 -178.272 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 71.7 Cg_exo -49.75 147.8 13.27 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 121.779 1.653 . . . . 1.0 111.458 -178.471 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.18 171.09 18.69 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.982 1.788 . . . . 1.37 112.333 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.62 24.99 61.53 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 110.609 -0.996 . . . . 1.3 110.609 179.379 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.455 ' H ' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER -89.96 88.61 7.38 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.751 -1.441 . . . . 1.05 109.479 -179.711 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -77.76 150.39 34.37 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 121.148 -0.97 . . . . 2.59 109.367 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -107.12 69.5 0.25 Allowed Pre-proline 0 N--CA 1.503 2.213 0 O-C-N 121.259 -0.9 . . . . 2.32 110.692 179.19 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -65.13 141.77 71.11 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 121.289 1.326 . . . . 0.86 110.696 178.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -71.77 -3.88 24.56 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.134 -0.979 . . . . 3.74 109.861 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 m -70.16 -4.93 23.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.428 -0.795 . . . . 0.87 110.491 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -103.3 -26.63 12.87 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.873 -1.142 . . . . 1.06 109.678 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.3 p -101.87 -36.81 8.52 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.203 -0.935 . . . . 0.66 110.022 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -60.87 -31.6 71.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.447 -0.783 . . . . 2.82 110.086 -179.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.2 m -58.79 -32.97 69.81 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.319 -0.863 . . . . 0.44 108.845 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -89.72 151.57 21.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.176 -0.953 . . . . 1.3 110.595 -179.371 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.618 ' NE2' ' N ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -118.04 156.06 50.67 Favored Pre-proline 0 N--CA 1.497 1.878 0 N-CA-C 108.022 -1.103 . . . . 2.07 108.022 178.593 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -47.46 157.45 0.81 Allowed 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.527 1.485 . . . . 0.48 111.635 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.25 136.16 26.15 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.987 -1.071 . . . . 0.27 110.498 -179.435 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.7 m -117.77 146.94 43.45 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 108.719 -0.845 . . . . 0.39 108.719 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -86.21 129.22 54.54 Favored Pre-proline 0 C--N 1.296 -1.721 0 O-C-N 121.382 -0.824 . . . . 0.42 109.145 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.08 -2.55 12.64 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 120.938 1.092 . . . . 0.8 112.488 -179.479 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.2 mt -99.75 -56.21 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.241 -0.912 . . . . 0.53 110.386 -179.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.1 p -114.7 14.54 17.55 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.602 -0.686 . . . . 0.47 110.243 -179.062 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 55.5 18.19 2.57 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.173 -0.954 . . . . 0.66 110.936 179.284 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.638 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.39 141.02 43.66 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.634 -1.247 . . . . 0.38 107.634 178.376 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.7 t -96.79 112.78 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.68 -1.263 . . . . 0.42 110.125 -178.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.1 mm -110.23 130.45 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 N-CA-C 108.17 -1.048 . . . . 0.26 108.17 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -75.83 -63.4 1.31 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.67 -1.269 . . . . 2.05 109.782 -178.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -77.86 133.05 38.22 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.33 -0.856 . . . . 1.22 111.042 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.8 p -62.18 -35.81 79.96 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.551 -0.718 . . . . 0.35 111.377 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.3 ptp180 -58.22 -39.61 79.51 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.546 -1.346 . . . . 0.86 108.746 -179.376 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.404 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 88.4 m-20 -67.76 -30.09 69.46 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.499 -0.75 . . . . 0.33 109.57 179.476 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.81 -44.75 86.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.048 -1.033 . . . . 0.37 109.15 -179.48 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -61.7 -39.18 90.58 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.752 -1.218 . . . . 3.24 108.403 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -65.53 -36.33 83.5 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.693 0.759 . . . . 0.45 109.466 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -63.32 -32.6 74.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.352 -0.843 . . . . 0.33 110.14 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 58' ' ' PHE . 90.0 mt -65.72 -40.81 92.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.542 -1.349 . . . . 0.44 109.371 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 49.2 mt-10 -72.13 -27.85 62.88 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.419 -0.8 . . . . 2.08 111.192 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.0 mt -91.05 -21.28 21.32 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.647 -1.283 . . . . 0.5 113.297 -177.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.536 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 24.6 mmm180 -127.01 -0.95 6.54 Favored 'General case' 0 N--CA 1.513 2.712 0 O-C-N 120.663 -1.273 . . . . 2.21 112.246 -178.15 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 53.0 m-70 -146.69 -63.33 0.3 Allowed 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.036 -1.665 . . . . 0.67 110.237 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 53' ' ' LEU . 29.1 m-85 -78.37 17.15 0.68 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.185 -0.947 . . . . 0.88 108.642 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.297 -1.71 0 C-N-CA 119.827 -0.749 . . . . 1.07 109.353 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.014 0 CA-C-O 120.928 0.394 . . . . 0.93 110.216 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -89.0 16.18 7.44 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.978 -0.749 . . . . 2.1 108.978 178.639 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 13.7 t60 -80.8 -31.43 0.61 Allowed Pre-proline 0 N--CA 1.495 1.804 0 O-C-N 121.226 -0.921 . . . . 3.25 112.383 -178.375 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 82.0 Cg_exo -51.24 141.69 38.63 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 121.963 1.775 . . . . 1.0 111.964 -178.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.5 174.86 12.15 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.256 1.971 . . . . 1.37 111.423 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.57 25.38 63.15 Favored Glycine 0 N--CA 1.491 2.347 0 C-N-CA 119.909 -1.139 . . . . 1.3 110.533 179.034 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.34 93.12 8.9 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.25 -1.147 . . . . 1.05 108.568 179.135 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.98 154.59 39.24 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.533 -0.914 . . . . 2.59 108.533 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -105.93 71.86 0.25 Allowed Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 121.405 -0.809 . . . . 2.32 110.349 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -69.6 136.46 33.48 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.694 1.596 . . . . 0.86 110.372 179.238 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.562 ' HG2' HH11 ' A' ' 25' ' ' ARG . 18.0 mtt-85 -73.84 -6.16 45.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.096 -1.003 . . . . 3.74 110.619 -179.146 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -73.95 -7.64 53.11 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.334 -0.854 . . . . 0.87 111.412 -179.031 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -98.89 -26.94 14.12 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.865 -1.147 . . . . 1.06 109.432 -179.377 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 p -105.27 -44.19 4.81 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.281 -0.887 . . . . 0.66 109.511 179.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -57.12 -34.2 68.13 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.39 -0.819 . . . . 2.82 109.891 -178.757 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.5 m -55.33 -29.99 59.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.916 -1.115 . . . . 0.44 109.606 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.539 ' CG ' HH21 ' A' ' 47' ' ' ARG . 72.8 mm-40 -93.73 143.77 26.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.901 -1.124 . . . . 1.3 110.604 -179.179 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -115.95 150.49 45.12 Favored Pre-proline 0 N--CA 1.501 2.08 0 N-CA-C 108.843 -0.799 . . . . 2.07 108.843 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -37.23 157.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.445 2.096 . . . . 0.48 112.4 -179.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.88 134.63 16.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.214 -0.929 . . . . 0.27 110.964 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 36' ' ' CYS . 98.5 m -115.71 162.06 17.81 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.415 -0.803 . . . . 0.39 110.089 179.222 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.583 ' N ' HG22 ' A' ' 35' ' ' THR . 7.8 t -105.22 102.9 39.35 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.547 -0.72 . . . . 0.42 109.643 179.583 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -55.66 -2.94 0.34 Allowed 'Trans proline' 0 N--CA 1.504 2.136 0 C-N-CA 122.194 1.93 . . . . 0.8 113.737 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 89.4 mt -98.01 -55.13 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.834 -1.166 . . . . 0.53 110.278 -179.448 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.9 p -115.92 6.48 14.22 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.472 -0.768 . . . . 0.47 109.506 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 61.78 22.99 13.42 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 122.069 -0.394 . . . . 0.66 111.81 178.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.57 135.62 57.81 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.929 -1.137 . . . . 0.38 107.929 177.786 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.3 109.67 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.079 -1.013 . . . . 0.42 109.613 -179.443 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mm -110.88 129.35 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 107.881 -1.155 . . . . 0.26 107.881 178.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.533 HH11 ' HG2' ' A' ' 44' ' ' ARG . 25.3 mtt-85 -73.13 -61.8 1.69 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.944 -1.097 . . . . 2.05 110.35 -178.78 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -76.34 135.65 39.54 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.647 -1.283 . . . . 1.22 110.181 -179.513 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.7 p -67.23 -36.78 82.38 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.605 -0.685 . . . . 0.35 110.587 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.539 HH21 ' CG ' ' A' ' 31' ' ' GLU . 11.9 ptp180 -58.2 -37.65 75.22 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.094 -1.004 . . . . 0.86 108.938 -179.17 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.25 -32.28 71.38 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.374 -0.829 . . . . 0.33 110.215 179.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.0 tp -56.81 -46.37 81.65 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.767 -1.208 . . . . 0.37 109.185 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -56.84 -40.02 75.32 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 107.857 -1.164 . . . . 3.24 107.857 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -63.74 -40.4 96.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.373 -0.829 . . . . 0.45 108.907 178.635 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -59.47 -38.53 81.02 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.546 -0.721 . . . . 0.33 109.102 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 58' ' ' PHE . 88.8 mt -57.6 -40.54 79.33 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.941 -1.099 . . . . 0.44 108.834 179.432 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.623 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 76.5 mm-40 -72.17 -19.74 61.71 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.314 -0.866 . . . . 2.08 110.792 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.7 mt -83.88 -57.69 3.1 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.752 -1.218 . . . . 0.5 112.604 -178.11 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.593 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 22.7 mmm180 -105.81 9.64 32.85 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.827 -1.171 . . . . 2.21 112.638 -176.623 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 31.0 m-70 -143.72 -70.6 0.31 Allowed 'General case' 0 N--CA 1.511 2.613 0 O-C-N 120.571 -1.331 . . . . 0.67 110.675 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 53' ' ' LEU . 31.6 m-85 -80.74 22.42 0.6 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.175 -0.953 . . . . 0.88 109.543 -179.458 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.295 -1.791 0 O-C-N 121.481 -0.762 . . . . 1.07 110.213 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 121.058 0.456 . . . . 0.93 110.341 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -90.51 9.34 29.76 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.758 -0.83 . . . . 2.1 108.758 179.106 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.61 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.5 t60 -81.22 -30.2 0.54 Allowed Pre-proline 0 N--CA 1.501 2.096 0 N-CA-C 113.484 0.92 . . . . 3.25 113.484 -177.519 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 56.8 Cg_exo -53.32 144.51 49.03 Favored 'Trans proline' 0 N--CA 1.501 1.942 0 C-N-CA 122.444 2.096 . . . . 1.0 113.056 -178.397 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.76 175.43 10.31 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.502 2.135 . . . . 1.37 112.059 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.2 27.04 64.78 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.081 -1.207 . . . . 1.3 110.081 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -90.56 96.18 10.52 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.96 -1.318 . . . . 1.05 108.85 179.865 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -72.46 152.0 42.21 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.226 -0.921 . . . . 2.59 109.26 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HZ3' ' HA ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -106.1 76.41 0.38 Allowed Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 121.488 -0.757 . . . . 2.32 111.524 -178.459 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.76 132.98 17.88 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 121.143 1.229 . . . . 0.86 111.084 178.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.481 ' HG2' HH11 ' A' ' 25' ' ' ARG . 5.2 mmt-85 -76.49 -6.61 52.52 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.328 -0.857 . . . . 3.74 109.637 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.4 m -72.73 -7.51 50.9 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.136 -0.978 . . . . 0.87 109.905 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' A' ' 27' ' ' ARG . 7.6 mmt-85 -95.93 -29.18 14.31 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.123 -0.985 . . . . 1.06 110.608 -179.259 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 p -107.2 -43.63 4.55 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.291 -0.881 . . . . 0.66 109.775 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.95 -39.82 86.88 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.098 -1.001 . . . . 2.82 109.243 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -56.59 -27.58 58.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.475 -0.765 . . . . 0.44 110.016 -179.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -89.31 146.99 24.34 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.054 -1.029 . . . . 1.3 109.52 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -121.61 151.92 57.72 Favored Pre-proline 0 N--CA 1.507 2.398 0 O-C-N 121.257 -0.902 . . . . 2.07 109.4 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -43.91 153.42 0.29 Allowed 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.969 1.779 . . . . 0.48 112.584 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -142.48 134.28 26.95 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.279 -0.888 . . . . 0.27 110.271 179.779 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.9 m -115.55 142.33 46.86 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.677 0.751 . . . . 0.39 109.605 179.373 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.5 t -79.69 132.82 60.26 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.403 -0.962 . . . . 0.42 108.403 179.124 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.81 -8.34 15.68 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 121.537 1.492 . . . . 0.8 111.953 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -96.63 -56.17 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.292 -0.88 . . . . 0.53 110.995 -178.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.489 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.6 p -115.97 19.19 15.21 Favored 'General case' 0 N--CA 1.508 2.472 0 O-C-N 121.248 -0.907 . . . . 0.47 111.274 -178.624 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 53.4 20.2 1.9 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.955 -1.09 . . . . 0.66 111.453 178.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.489 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.5 141.2 55.32 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 106.66 -1.607 . . . . 0.38 106.66 177.873 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.3 t -97.42 115.87 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 120.837 -1.164 . . . . 0.42 109.756 -179.336 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.537 ' O ' ' N ' ' A' ' 34' ' ' ALA . 38.8 mm -110.84 130.75 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 108.163 -1.051 . . . . 0.26 108.163 179.033 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -75.78 -64.3 1.11 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.664 -1.273 . . . . 2.05 110.662 -178.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -79.71 138.52 37.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.022 -1.049 . . . . 1.22 109.962 -179.514 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.5 p -63.01 -38.93 93.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.172 -0.955 . . . . 0.35 109.895 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 12.2 ptp180 -51.39 -41.82 60.97 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.812 -1.18 . . . . 0.86 109.525 -179.462 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.445 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 93.3 m-20 -67.29 -27.67 67.37 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.435 -0.791 . . . . 0.33 110.022 179.586 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.22 -46.58 88.08 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.994 -1.066 . . . . 0.37 108.985 -179.104 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -59.95 -40.0 87.51 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 119.097 -1.041 . . . . 3.24 108.809 179.685 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -65.91 -31.4 72.3 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.549 -0.861 . . . . 0.45 109.779 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -65.86 -40.77 91.98 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.313 -0.867 . . . . 0.33 109.704 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.09 -39.21 85.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.246 -0.909 . . . . 0.44 109.281 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.821 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 94.3 mt-10 -71.36 -28.71 64.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.511 -0.743 . . . . 2.08 112.119 -178.919 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -91.69 -43.98 9.28 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.712 -1.242 . . . . 0.5 112.812 -177.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 20.6 mmm-85 -106.0 17.5 23.51 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 120.835 -1.165 . . . . 2.21 113.037 -177.118 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.0 m-70 -154.6 -68.54 0.13 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.138 -1.601 . . . . 0.67 110.413 179.131 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -80.47 4.76 17.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.137 -0.977 . . . . 0.88 110.179 -179.127 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.821 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.087 -1.008 . . . . 1.07 108.671 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.813 0 N-CA-C 109.135 -0.691 . . . . 0.93 109.135 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -90.85 8.09 36.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.287 -0.883 . . . . 2.1 109.777 179.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.612 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 23.7 m80 -82.64 -28.76 0.45 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.277 -0.889 . . . . 3.25 113.351 -177.717 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.3 Cg_exo -50.88 144.87 25.81 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.643 1.562 . . . . 1.0 112.583 -177.435 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.65 171.68 17.29 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.719 2.279 . . . . 1.37 112.124 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.65 28.73 54.45 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.935 -1.266 . . . . 1.3 109.935 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.736 ' O ' HG23 ' A' ' 21' ' ' THR . 13.1 t -94.01 94.9 8.7 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.301 -1.117 . . . . 1.05 108.913 179.023 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -81.39 141.7 33.7 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.228 -1.027 . . . . 2.59 108.228 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -106.38 76.04 0.39 Allowed Pre-proline 0 N--CA 1.496 1.825 0 O-C-N 121.433 -0.792 . . . . 2.32 111.741 -178.653 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -69.62 149.08 67.31 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.047 1.832 . . . . 0.86 109.295 177.406 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HG2' ' NH1' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -74.31 -7.74 53.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.833 -1.167 . . . . 3.74 109.953 -179.132 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -72.87 -0.94 14.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.222 -0.924 . . . . 0.87 111.633 -178.438 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -99.02 -28.49 13.38 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.701 -1.249 . . . . 1.06 111.097 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -112.77 -37.56 4.83 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.163 -0.961 . . . . 0.66 109.856 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -59.83 -39.82 86.4 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.327 -0.858 . . . . 2.82 110.2 -178.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -56.12 -30.09 61.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.51 -0.744 . . . . 0.44 110.842 -179.362 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.534 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 78.1 mm-40 -83.11 141.91 31.64 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.082 -1.011 . . . . 1.3 110.004 -179.614 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -118.35 149.5 46.04 Favored Pre-proline 0 N--CA 1.506 2.35 0 O-C-N 121.701 -0.624 . . . . 2.07 109.971 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -39.72 153.93 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.974 1.783 . . . . 0.48 113.088 178.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.62 137.09 21.27 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.29 -0.882 . . . . 0.27 110.277 179.003 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.4 m -117.22 147.94 42.06 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.418 -0.801 . . . . 0.39 109.923 179.278 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.1 t -83.79 125.5 73.08 Favored Pre-proline 0 N--CA 1.496 1.866 0 O-C-N 121.316 -0.865 . . . . 0.42 108.686 179.321 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -78.95 4.72 6.26 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.242 1.295 . . . . 0.8 111.774 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mt -106.39 -50.67 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.468 -0.77 . . . . 0.53 110.729 -178.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.8 p -122.31 15.5 10.53 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.27 -0.894 . . . . 0.47 109.532 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 55.62 17.07 2.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.703 -0.623 . . . . 0.66 111.333 179.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.611 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.19 139.49 52.44 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.407 -1.331 . . . . 0.38 107.407 177.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.12 117.0 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 120.803 -1.185 . . . . 0.42 109.971 -179.342 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.3 mm -113.91 131.35 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 N-CA-C 107.457 -1.312 . . . . 0.26 107.457 178.72 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -75.0 -60.03 2.47 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.695 -1.253 . . . . 2.05 110.309 -179.027 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -78.96 133.61 36.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.989 -1.07 . . . . 1.22 111.188 -178.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -62.96 -35.76 81.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.451 -0.781 . . . . 0.35 109.647 179.212 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.534 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.71 -38.91 82.94 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.711 -1.243 . . . . 0.86 108.553 179.713 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -71.22 -22.22 62.03 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.836 -1.165 . . . . 0.33 109.823 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.34 -46.39 90.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.948 -1.095 . . . . 0.37 108.566 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.21 -39.96 92.19 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.095 -1.003 . . . . 3.24 108.752 179.344 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.99 -40.13 88.12 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.499 -0.926 . . . . 0.45 108.499 178.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -61.18 -39.3 89.66 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.441 -0.787 . . . . 0.33 109.434 179.323 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 58' ' ' PHE . 88.7 mt -60.01 -38.7 83.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.003 -1.061 . . . . 0.44 110.235 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.682 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -75.81 -27.95 58.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.926 -1.109 . . . . 2.08 111.49 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.7 mt -88.48 -42.51 12.07 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.263 -1.523 . . . . 0.5 112.088 -177.413 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.433 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 18.2 mmm180 -108.83 14.26 24.37 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.828 -1.17 . . . . 2.21 112.986 -177.345 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.433 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.3 m-70 -152.7 -71.82 0.15 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 119.968 -1.707 . . . . 0.67 110.758 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 53' ' ' LEU . 64.4 m-85 -80.7 17.54 1.13 Allowed 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.418 -0.801 . . . . 0.88 109.282 -179.438 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.486 -0.759 . . . . 1.07 109.231 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.263 0 CA-C-O 121.148 0.499 . . . . 0.93 110.642 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -86.5 14.68 6.4 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.453 -0.78 . . . . 2.1 110.438 179.515 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.616 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 16.3 m-70 -81.97 -25.59 0.4 Allowed Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 120.985 -1.072 . . . . 3.25 113.557 -177.848 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 88.1 Cg_exo -50.56 136.98 41.28 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.291 1.327 . . . . 1.0 111.968 -179.041 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -79.37 178.23 7.66 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 123.258 2.639 . . . . 1.37 111.947 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.43 30.0 63.1 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 120.029 -1.081 . . . . 1.3 110.47 179.002 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.38 93.69 9.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -1.182 . . . . 1.05 109.886 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mp0 -77.77 158.33 29.62 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.097 -1.002 . . . . 2.59 108.628 178.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -108.68 65.47 0.29 Allowed Pre-proline 0 N--CA 1.502 2.131 0 O-C-N 121.304 -0.873 . . . . 2.32 112.145 -179.122 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -45.3 132.37 11.96 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.076 1.184 . . . . 0.86 111.782 179.361 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -63.45 -33.81 76.37 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.451 -0.781 . . . . 3.74 110.931 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.6 m -71.56 -1.98 15.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.038 -1.039 . . . . 0.87 111.819 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -97.94 -26.43 14.65 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.654 -1.278 . . . . 1.06 110.998 -179.073 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 p -109.71 -35.98 6.05 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.239 -1.023 . . . . 0.66 108.239 179.032 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.37 -38.42 83.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.297 -0.877 . . . . 2.82 109.297 179.104 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.0 m -50.87 -23.54 2.89 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.291 -0.881 . . . . 0.44 109.638 -179.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -82.51 149.83 27.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.889 -1.132 . . . . 1.3 109.748 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.437 ' O ' ' O ' ' A' ' 44' ' ' ARG . 22.9 mm100 -121.31 151.89 56.7 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 121.501 -0.749 . . . . 2.07 109.031 179.886 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.29 151.7 42.8 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.985 1.79 . . . . 0.48 111.06 178.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.68 139.67 25.39 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.092 -1.005 . . . . 0.27 111.391 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.501 HG22 ' N ' ' A' ' 36' ' ' CYS . 68.3 m -116.22 160.69 20.07 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 109.071 -0.715 . . . . 0.39 109.071 178.656 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.501 ' N ' HG22 ' A' ' 35' ' ' THR . 2.2 t -104.9 104.66 47.61 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.336 -0.853 . . . . 0.42 109.063 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.84 -4.41 0.24 Allowed 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 122.079 1.853 . . . . 0.8 113.438 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -97.01 -64.46 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.043 -1.035 . . . . 0.53 110.02 -179.09 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 18.7 p -105.99 10.27 32.31 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.417 -0.802 . . . . 0.47 108.952 179.533 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' CYS . 77.9 m-85 58.48 17.38 4.84 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.664 -0.647 . . . . 0.66 110.58 179.541 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.556 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.13 139.87 45.92 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.546 -1.347 . . . . 0.38 108.02 178.872 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.61 110.71 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.147 -0.97 . . . . 0.42 109.972 -179.372 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' ALA . 28.5 mm -108.01 130.29 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 107.739 -1.208 . . . . 0.26 107.739 178.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 32' ' ' GLN . 70.9 mtt180 -73.78 -60.98 2.0 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.611 -0.836 . . . . 2.05 110.48 -178.567 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.684 HE22 ' NH2' ' A' ' 47' ' ' ARG . 89.9 mt-30 -80.22 132.94 35.96 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.959 -1.088 . . . . 1.22 110.014 -179.36 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.3 p -63.08 -33.12 74.76 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.057 -1.027 . . . . 0.35 109.758 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.684 ' NH2' HE22 ' A' ' 45' ' ' GLN . 27.6 ptt180 -60.27 -42.51 95.54 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.889 -1.132 . . . . 0.86 108.758 179.297 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -64.91 -27.9 69.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.269 -0.895 . . . . 0.33 108.941 178.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.33 -42.8 96.38 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.402 -1.436 . . . . 0.37 109.367 179.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HG2' HH11 ' A' ' 50' ' ' ARG . 52.3 mtt-85 -59.96 -41.95 93.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.049 -1.032 . . . . 3.24 109.113 -179.294 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -64.88 -34.66 78.93 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.388 -0.82 . . . . 0.45 109.472 178.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -63.36 -36.64 84.39 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.276 -0.89 . . . . 0.33 110.252 -179.6 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.12 -45.95 91.25 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.268 -0.895 . . . . 0.44 109.296 -179.818 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.914 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 86.8 mt-10 -72.06 -27.21 62.53 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.168 -0.958 . . . . 2.08 113.073 -178.636 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.8 mt -92.82 -35.09 13.58 Favored 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.267 -1.52 . . . . 0.5 112.514 -177.448 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.55 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.1 mmm180 -109.21 20.09 18.71 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 120.612 -1.305 . . . . 2.21 112.334 -177.275 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.5 m-70 -156.09 -69.19 0.11 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.176 -1.578 . . . . 0.67 110.835 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -78.15 -2.38 37.25 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.922 -1.112 . . . . 0.88 109.621 -179.375 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.914 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.72 0 O-C-N 121.212 -0.93 . . . . 1.07 108.545 178.839 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 120.949 0.404 . . . . 0.93 110.218 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -89.97 13.95 13.43 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.27 -0.894 . . . . 2.1 109.321 178.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.622 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 42.1 m80 -80.45 -30.69 0.6 Allowed Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.112 -0.992 . . . . 3.25 112.394 -178.42 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 48.4 Cg_exo -57.36 146.43 82.84 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 121.89 1.726 . . . . 1.0 112.32 -179.328 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.29 178.48 7.45 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.401 2.067 . . . . 1.37 111.945 178.779 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.3 26.86 62.85 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.516 -1.033 . . . . 1.3 110.516 178.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 21' ' ' THR . 9.0 t -89.28 94.74 10.02 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.014 -1.286 . . . . 1.05 109.576 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -84.27 145.01 28.53 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.207 -1.034 . . . . 2.59 108.207 179.152 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -105.22 76.8 0.33 Allowed Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.418 -0.801 . . . . 2.32 110.319 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.24 144.13 45.55 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.435 1.423 . . . . 0.86 111.556 179.07 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.523 ' HG2' HH11 ' A' ' 25' ' ' ARG . 29.6 mtt-85 -69.84 -9.44 54.77 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.375 -0.828 . . . . 3.74 109.829 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -71.23 -9.67 58.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.328 -0.858 . . . . 0.87 110.429 -179.424 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -102.8 -25.3 13.56 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.951 -1.093 . . . . 1.06 110.206 -179.377 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 p -105.41 -33.03 8.29 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.094 -1.004 . . . . 0.66 109.557 -179.664 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -64.31 -31.08 72.15 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.072 -1.017 . . . . 2.82 109.418 179.663 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -58.06 -29.73 65.63 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.563 -0.711 . . . . 0.44 109.661 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.588 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 62.2 mm-40 -95.34 139.73 31.23 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.32 -0.863 . . . . 1.3 109.925 -179.246 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.468 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 23.8 mp0 -114.22 152.21 45.71 Favored Pre-proline 0 N--CA 1.5 2.061 0 N-CA-C 108.378 -0.971 . . . . 2.07 108.378 178.868 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -42.03 156.2 0.08 OUTLIER 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.4 2.066 . . . . 0.48 112.376 179.609 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -146.04 139.63 26.21 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.065 -1.022 . . . . 0.27 110.535 179.425 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 36' ' ' CYS . 85.0 m -117.69 158.56 24.47 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 115.926 -0.579 . . . . 0.39 109.523 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 40' ' ' TYR . 5.9 t -104.6 103.39 39.74 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.513 -0.742 . . . . 0.42 109.622 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.02 -4.79 0.4 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 121.816 1.677 . . . . 0.8 113.219 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.0 mt -95.8 -50.03 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 120.884 -1.135 . . . . 0.53 110.153 -179.025 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.4 p -123.32 14.28 9.64 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 108.602 -0.888 . . . . 0.47 108.602 179.664 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' CYS . 80.6 m-85 53.65 15.1 0.7 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.832 -0.543 . . . . 0.66 110.961 178.793 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.615 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -54.61 139.44 38.45 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.67 -1.233 . . . . 0.38 107.67 178.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -94.3 109.3 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.137 -0.977 . . . . 0.42 110.915 -178.168 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 34' ' ' ALA . 47.1 mm -106.0 130.12 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 108.421 -0.955 . . . . 0.26 108.421 178.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -75.2 -61.85 1.76 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.802 -1.186 . . . . 2.05 110.92 -178.638 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -80.12 130.25 35.1 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.078 -1.014 . . . . 1.22 110.686 -179.301 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -60.77 -33.27 72.7 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.328 -0.857 . . . . 0.35 109.678 179.792 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.588 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.96 -37.88 80.87 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.945 -1.102 . . . . 0.86 108.509 179.61 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -69.92 -30.3 67.67 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.324 -0.86 . . . . 0.33 109.768 178.894 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.7 tp -56.36 -46.7 79.9 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.751 -1.218 . . . . 0.37 108.807 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -58.0 -39.9 79.39 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.669 -1.234 . . . . 3.24 107.669 179.398 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -63.85 -40.51 96.73 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.793 0.806 . . . . 0.45 109.325 179.346 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -60.23 -38.3 83.0 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.639 -0.663 . . . . 0.33 109.244 -179.621 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.7 -41.95 91.9 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.901 -1.125 . . . . 0.44 109.878 -179.473 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.631 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 95.3 mt-10 -75.62 -16.75 60.18 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.486 -0.759 . . . . 2.08 112.958 -178.766 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.5 mt -95.7 -44.15 7.58 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.326 -1.484 . . . . 0.5 112.035 -177.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 23.3 mmm180 -108.89 16.28 22.82 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 121.099 -1.001 . . . . 2.21 111.938 -178.087 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.3 m-70 -150.67 -75.64 0.15 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.253 -1.529 . . . . 0.67 110.133 -179.853 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -80.88 16.51 1.43 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.205 -0.934 . . . . 0.88 110.266 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.496 1.868 0 O-C-N 121.202 -0.936 . . . . 1.07 109.936 -179.739 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.219 0.533 . . . . 0.93 110.584 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -90.46 7.86 36.71 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.361 -0.837 . . . . 2.1 109.184 178.29 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.597 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.5 m80 -78.76 -27.79 0.54 Allowed Pre-proline 0 N--CA 1.505 2.292 0 N-CA-C 113.69 0.996 . . . . 3.25 113.69 -177.717 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 75.6 Cg_exo -52.0 146.34 29.98 Favored 'Trans proline' 0 N--CA 1.5 1.909 0 C-N-CA 121.186 1.257 . . . . 1.0 112.114 -178.308 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.51 168.26 21.6 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.22 1.946 . . . . 1.37 112.557 -179.353 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.45 29.15 60.35 Favored Glycine 0 N--CA 1.496 2.634 0 C-N-CA 120.235 -0.983 . . . . 1.3 111.112 178.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.403 ' H ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -97.07 84.15 3.48 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.914 -1.345 . . . . 1.05 109.49 179.803 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -78.26 145.84 35.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.947 -1.096 . . . . 2.59 109.011 179.76 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -90.52 110.94 44.62 Favored Pre-proline 0 N--CA 1.499 1.994 0 O-C-N 121.121 -0.987 . . . . 2.32 110.399 -179.502 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -84.24 140.16 8.52 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 121.66 1.574 . . . . 0.86 111.051 178.598 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.497 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 6.5 mpt_? -70.28 -14.46 62.6 Favored 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 119.01 -1.076 . . . . 3.74 109.123 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -69.98 -10.3 58.12 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.356 -0.84 . . . . 0.87 111.219 -179.228 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 27' ' ' ARG . 6.7 mmt-85 -99.95 -17.7 17.43 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.823 -1.173 . . . . 1.06 110.423 -179.579 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 p -109.88 -44.12 3.87 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.069 -1.02 . . . . 0.66 110.257 -179.795 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -61.82 -23.08 66.01 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.337 -0.852 . . . . 2.82 109.773 -179.23 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.3 m -58.81 -39.03 79.94 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.524 -0.735 . . . . 0.44 109.942 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.578 ' CG ' HH21 ' A' ' 47' ' ' ARG . 80.5 mm-40 -96.68 148.32 22.99 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.273 -0.892 . . . . 1.3 109.661 -179.772 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -113.13 150.37 42.86 Favored Pre-proline 0 N--CA 1.503 2.191 0 N-CA-C 108.349 -0.982 . . . . 2.07 108.349 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -39.07 154.81 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.189 0 C-N-CA 121.779 1.653 . . . . 0.48 111.762 -179.713 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.46 139.26 28.2 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.295 -0.878 . . . . 0.27 110.18 -179.337 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 36' ' ' CYS . 52.2 m -117.07 159.55 22.38 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 109.134 -0.691 . . . . 0.39 109.134 178.633 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.472 ' N ' HG22 ' A' ' 35' ' ' THR . 3.8 t -101.97 106.43 47.46 Favored Pre-proline 0 N--CA 1.499 2.018 0 O-C-N 121.602 -0.686 . . . . 0.42 109.959 179.844 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -55.57 -7.11 1.22 Allowed 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 121.715 1.61 . . . . 0.8 113.47 179.163 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.9 mt -97.01 -51.02 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 120.741 -1.224 . . . . 0.53 110.478 -178.36 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.4 p -123.74 22.14 9.05 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.531 -0.731 . . . . 0.47 109.365 179.642 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 36' ' ' CYS . 80.4 m-85 48.7 17.93 0.17 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.636 -0.665 . . . . 0.66 112.175 178.516 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.3 136.59 56.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.486 -1.383 . . . . 0.38 108.454 178.628 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.6 t -92.17 116.22 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.057 -1.027 . . . . 0.42 110.115 -179.115 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ALA . 28.8 mm -114.05 129.79 69.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 108.036 -1.098 . . . . 0.26 108.036 178.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -73.64 -65.09 0.87 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.956 -1.09 . . . . 2.05 111.22 -179.448 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -79.98 137.9 36.94 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.209 -1.557 . . . . 1.22 111.417 -178.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.3 p -62.49 -34.2 76.39 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.454 -0.779 . . . . 0.35 109.865 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.578 HH21 ' CG ' ' A' ' 31' ' ' GLU . 12.2 ptp180 -60.05 -38.57 83.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.991 -1.068 . . . . 0.86 108.585 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -68.18 -31.04 70.29 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.585 -0.697 . . . . 0.33 109.16 179.128 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.81 -42.2 92.93 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 118.884 -1.126 . . . . 0.37 108.841 -179.09 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -59.95 -41.46 91.93 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.998 -1.064 . . . . 3.24 108.298 179.442 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -64.56 -37.18 86.67 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.469 -0.769 . . . . 0.45 109.629 179.211 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -61.28 -40.77 95.36 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.306 -0.871 . . . . 0.33 109.356 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.84 -40.66 89.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.383 -0.823 . . . . 0.44 110.081 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.718 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 81.0 mm-40 -74.47 -24.77 59.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.198 -0.939 . . . . 2.08 112.262 -179.21 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.58 ' C ' ' HE ' ' A' ' 56' ' ' ARG . 94.5 mt -93.23 -41.64 9.78 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.576 -1.327 . . . . 0.5 112.333 -177.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.58 ' HE ' ' C ' ' A' ' 55' ' ' LEU . 4.0 mmp_? -104.25 14.26 30.65 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.729 -1.232 . . . . 2.21 111.968 -177.533 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.7 m-70 -153.59 -70.9 0.14 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 119.996 -1.69 . . . . 0.67 111.069 179.861 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -81.96 14.79 2.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.964 -1.085 . . . . 0.88 109.511 -179.803 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.302 -1.484 0 O-C-N 121.426 -0.796 . . . . 1.07 109.34 179.534 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 109.646 -0.502 . . . . 0.93 109.646 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -88.01 5.27 41.65 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.878 -1.139 . . . . 2.1 109.257 179.121 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.531 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 13.4 t-80 -78.33 -47.06 2.05 Favored Pre-proline 0 N--CA 1.499 2.016 0 O-C-N 121.41 -0.806 . . . . 3.25 111.804 -179.359 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 17' ' ' HIS . 24.9 Cg_endo -59.71 161.53 17.83 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 CA-C-N 120.503 1.215 . . . . 1.0 111.648 -179.828 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -57.34 178.11 0.18 Allowed 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.862 2.375 . . . . 1.37 112.818 -179.079 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.64 21.33 78.84 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.907 -1.277 . . . . 1.3 109.907 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 21' ' ' THR . 9.7 t -93.0 90.65 7.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.284 -1.127 . . . . 1.05 109.658 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -80.73 138.23 36.31 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.133 -0.979 . . . . 2.59 108.796 179.149 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -107.22 70.69 0.28 Allowed Pre-proline 0 N--CA 1.503 2.184 0 O-C-N 121.355 -0.841 . . . . 2.32 111.008 -179.336 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.78 142.0 67.97 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 121.389 1.393 . . . . 0.86 111.289 179.158 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -72.6 -3.12 22.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.163 -0.961 . . . . 3.74 110.262 -179.337 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.4 m -70.07 -4.88 23.13 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.142 -0.974 . . . . 0.87 108.742 179.655 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -101.39 -26.47 13.58 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.202 -0.666 . . . . 1.06 109.202 -178.631 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 p -108.19 -36.62 6.25 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.88 -0.785 . . . . 0.66 108.88 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -59.87 -34.75 73.56 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.526 -0.87 . . . . 2.82 108.839 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.402 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 9.0 m -70.82 -22.94 62.28 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.91 -1.119 . . . . 0.44 108.727 178.807 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -87.36 135.47 33.31 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.384 -0.969 . . . . 1.3 108.384 179.732 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.425 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 3.9 mp0 -113.07 152.62 45.14 Favored Pre-proline 0 N--CA 1.492 1.665 0 N-CA-C 108.319 -0.993 . . . . 2.07 108.319 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -52.67 154.22 12.74 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 121.094 1.196 . . . . 0.48 111.209 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -142.63 136.33 29.03 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.216 -0.927 . . . . 0.27 110.689 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.7 m -116.63 148.75 40.69 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.388 -0.82 . . . . 0.39 109.951 179.153 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.9 t -88.35 131.67 41.61 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.252 -0.905 . . . . 0.42 108.954 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -79.12 -4.86 14.14 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.65 1.566 . . . . 0.8 112.362 -179.615 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.8 mt -99.34 -54.58 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.139 -0.976 . . . . 0.53 109.971 -179.694 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.6 p -118.68 27.68 8.76 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.471 -0.768 . . . . 0.47 110.691 -179.256 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 42.83 15.96 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.359 -0.838 . . . . 0.66 111.081 179.186 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.71 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.45 133.19 52.98 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 106.997 -1.483 . . . . 0.38 106.997 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.1 t -92.33 116.98 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.76 -1.212 . . . . 0.42 110.513 -178.487 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' ALA . 27.3 mm -111.89 129.8 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 N-CA-C 107.089 -1.449 . . . . 0.26 107.089 178.186 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.489 HH11 ' HG2' ' A' ' 44' ' ' ARG . 9.6 mtt-85 -72.31 -61.27 1.86 Allowed 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.681 -1.262 . . . . 2.05 110.64 -178.286 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.555 ' NE2' HH21 ' A' ' 47' ' ' ARG . 89.2 mt-30 -77.98 135.89 37.88 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.265 -0.897 . . . . 1.22 110.642 -178.94 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -65.13 -38.87 92.02 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.466 -0.772 . . . . 0.35 110.631 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.555 HH21 ' NE2' ' A' ' 45' ' ' GLN . 24.6 ptt180 -58.58 -39.38 80.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.727 -1.233 . . . . 0.86 109.06 -179.818 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.45 -31.9 72.94 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.213 -0.929 . . . . 0.33 109.853 179.521 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.29 -41.76 85.1 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.655 -1.278 . . . . 0.37 108.701 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -57.49 -40.04 77.75 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.513 -1.367 . . . . 3.24 107.748 179.727 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -68.14 -35.18 77.68 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 109.467 -0.568 . . . . 0.45 109.467 179.216 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -60.32 -37.09 79.53 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.068 -1.02 . . . . 0.33 108.717 178.828 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.27 -46.73 89.13 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -0.869 . . . . 0.44 110.415 -179.56 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.783 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.2 mm-40 -70.26 -25.26 63.28 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.971 -1.081 . . . . 2.08 112.511 -179.223 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.8 mt -94.01 -38.44 11.15 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.769 -1.207 . . . . 0.5 112.602 -177.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.52 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 19.8 mmm-85 -106.5 13.89 27.84 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 120.583 -1.323 . . . . 2.21 112.215 -177.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.52 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 93.1 m-70 -153.82 -71.68 0.13 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.287 -1.508 . . . . 0.67 111.042 179.526 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -79.81 12.78 2.46 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.855 -1.153 . . . . 0.88 110.238 -179.15 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.783 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.496 1.868 0 O-C-N 121.193 -0.942 . . . . 1.07 109.437 179.686 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.128 0 CA-C-O 121.172 0.51 . . . . 0.93 111.038 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -93.83 4.65 53.61 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.418 -0.801 . . . . 2.1 110.106 178.538 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.595 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 8.5 t-80 -81.14 -33.76 0.7 Allowed Pre-proline 0 N--CA 1.503 2.215 0 O-C-N 120.918 -1.113 . . . . 3.25 112.467 -177.862 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.6 Cg_exo -53.04 152.24 18.82 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 121.329 1.352 . . . . 1.0 111.106 -178.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -74.5 179.88 5.48 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.305 2.003 . . . . 1.37 112.427 -178.595 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.87 29.98 58.34 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 110.237 -1.145 . . . . 1.3 110.237 179.572 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.715 ' O ' HG23 ' A' ' 21' ' ' THR . 14.3 t -88.17 96.58 10.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.976 -1.308 . . . . 1.05 109.057 -179.864 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -78.19 146.08 35.2 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.164 -0.96 . . . . 2.59 109.256 -179.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -108.46 94.05 12.93 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 121.564 -0.71 . . . . 2.32 110.323 179.581 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -84.48 132.58 5.08 Favored 'Trans proline' 0 N--CA 1.487 1.092 0 C-N-CA 121.887 1.724 . . . . 0.86 110.935 179.297 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -74.64 -12.94 60.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.095 -1.003 . . . . 3.74 109.171 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 30' ' ' SER . 70.3 m -70.93 -3.67 20.53 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.336 -0.853 . . . . 0.87 110.424 -179.323 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.415 HH21 HH22 ' A' ' 47' ' ' ARG . 14.9 mmm180 -111.66 -17.69 12.95 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.236 -0.915 . . . . 1.06 110.758 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.6 p -104.88 -35.83 7.58 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.729 -1.232 . . . . 0.66 109.187 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -73.47 -30.33 63.09 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.334 -0.854 . . . . 2.82 109.509 178.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 26' ' ' SER . 26.7 m -56.43 -36.4 68.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.508 -0.745 . . . . 0.44 109.729 -179.456 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -92.55 139.0 31.03 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.008 -1.058 . . . . 1.3 109.116 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -112.74 150.35 42.61 Favored Pre-proline 0 N--CA 1.495 1.789 0 N-CA-C 108.167 -1.049 . . . . 2.07 108.167 179.691 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -39.01 157.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.229 0 C-N-CA 122.08 1.854 . . . . 0.48 112.153 -179.313 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.59 137.91 21.85 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.044 -1.035 . . . . 0.27 110.958 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.5 m -115.42 146.59 41.46 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.413 -0.804 . . . . 0.39 109.557 179.115 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.7 t -85.75 126.92 64.67 Favored Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.083 -1.011 . . . . 0.42 108.488 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -77.02 -3.14 13.43 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 121.429 1.419 . . . . 0.8 112.743 -179.174 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.5 mt -99.99 -48.06 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.085 -1.009 . . . . 0.53 110.521 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.1 p -123.38 16.82 9.76 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.432 -0.793 . . . . 0.47 110.297 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 54.91 17.48 1.83 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.299 -0.875 . . . . 0.66 111.569 178.823 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.533 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.44 134.57 56.77 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.556 -1.34 . . . . 0.38 107.645 178.542 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.2 t -92.73 112.51 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.997 -1.065 . . . . 0.42 109.834 -179.034 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.2 mm -108.14 128.23 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 107.582 -1.266 . . . . 0.26 107.582 179.102 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.547 HH11 ' HG2' ' A' ' 44' ' ' ARG . 18.6 mtt-85 -71.22 -64.16 0.97 Allowed 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 118.661 -1.216 . . . . 2.05 110.201 -179.065 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -77.2 140.68 40.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.13 -0.981 . . . . 1.22 110.997 -179.026 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.52 -38.43 87.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.466 -0.771 . . . . 0.35 109.911 179.43 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.415 HH22 HH21 ' A' ' 27' ' ' ARG . 11.9 ptp180 -56.01 -41.28 74.67 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.828 -1.17 . . . . 0.86 108.618 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.415 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 94.4 m-20 -64.55 -29.95 70.97 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.327 -0.858 . . . . 0.33 109.853 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.8 tp -59.37 -46.33 88.96 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.985 -1.072 . . . . 0.37 109.641 -179.583 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -58.88 -40.03 83.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.907 -1.121 . . . . 3.24 108.028 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -63.59 -39.84 95.41 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.563 0.697 . . . . 0.45 109.275 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -60.56 -39.28 87.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.535 -0.728 . . . . 0.33 109.972 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.2 -41.5 93.12 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.947 -1.095 . . . . 0.44 109.766 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.747 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 98.6 mt-10 -72.9 -26.15 61.32 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.205 -0.934 . . . . 2.08 111.362 -179.349 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.0 mt -88.59 -51.53 5.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.981 -1.074 . . . . 0.5 112.775 -177.636 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.548 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 24.1 mmm180 -103.18 21.2 16.25 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 120.701 -1.249 . . . . 2.21 111.915 -177.283 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.7 m-70 -155.75 -76.29 0.1 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.188 -1.57 . . . . 0.67 111.344 179.75 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.88 14.78 1.25 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.018 -1.051 . . . . 0.88 110.143 -178.433 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.301 -1.508 0 O-C-N 121.131 -0.981 . . . . 1.07 108.44 179.351 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.733 0 N-CA-C 109.866 -0.42 . . . . 0.93 109.866 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -95.6 1.82 53.88 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.28 -0.888 . . . . 2.1 109.279 178.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.616 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 25.2 t-80 -81.59 -32.66 0.63 Allowed Pre-proline 0 N--CA 1.499 1.987 0 O-C-N 121.18 -0.95 . . . . 3.25 112.437 -178.363 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.4 Cg_exo -54.86 158.7 10.53 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 122.165 1.91 . . . . 1.0 111.715 -179.505 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -67.86 172.96 9.89 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.346 2.031 . . . . 1.37 111.956 -179.434 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.62 23.11 76.1 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.734 -1.346 . . . . 1.3 109.734 -179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.754 ' O ' HG23 ' A' ' 21' ' ' THR . 13.8 t -89.3 94.98 10.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.137 -1.213 . . . . 1.05 108.765 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -77.66 148.77 34.86 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.142 -0.974 . . . . 2.59 109.119 -179.625 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -107.0 77.21 0.49 Allowed Pre-proline 0 N--CA 1.499 2.001 0 O-C-N 121.432 -0.793 . . . . 2.32 111.019 -179.26 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -71.09 134.19 24.68 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.657 1.571 . . . . 0.86 111.438 178.847 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -72.54 -11.05 60.5 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.274 -0.891 . . . . 3.74 110.177 -179.093 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.4 m -72.0 -3.13 21.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.1 -1.0 . . . . 0.87 109.963 -179.5 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.481 ' NH1' ' CG ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -101.33 -26.37 13.64 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.206 -0.934 . . . . 1.06 109.982 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 p -106.29 -32.26 8.25 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.37 -0.832 . . . . 0.66 109.461 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -64.26 -37.24 86.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.222 -0.924 . . . . 2.82 109.207 179.422 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -59.98 -30.43 69.11 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.535 -0.728 . . . . 0.44 109.332 -179.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -85.51 138.01 32.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.379 -0.826 . . . . 1.3 109.572 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -119.22 151.03 50.37 Favored Pre-proline 0 N--CA 1.504 2.24 0 O-C-N 121.515 -0.741 . . . . 2.07 109.347 -179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -42.35 154.64 0.12 Allowed 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.893 1.729 . . . . 0.48 112.18 179.274 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.92 136.95 23.38 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.059 -1.026 . . . . 0.27 110.519 179.816 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.9 m -115.42 145.22 42.77 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.358 -0.839 . . . . 0.39 109.271 178.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.9 t -80.4 128.74 71.71 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.527 -0.733 . . . . 0.42 109.036 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -77.25 -2.79 13.01 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 121.372 1.382 . . . . 0.8 111.592 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.4 mt -103.9 -56.38 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.493 -0.754 . . . . 0.53 110.945 -179.203 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.605 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.4 p -112.81 18.47 18.19 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.281 -0.887 . . . . 0.47 109.887 -179.253 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 50.27 17.13 0.31 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.385 -0.822 . . . . 0.66 111.233 178.379 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.43 143.03 50.98 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.873 -1.142 . . . . 0.38 108.024 178.301 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.0 t -95.45 111.28 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.071 -1.018 . . . . 0.42 110.425 -178.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 34' ' ' ALA . 26.5 mm -105.87 129.74 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 107.295 -1.372 . . . . 0.26 107.295 178.312 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -74.28 -60.06 2.44 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 119.13 -1.028 . . . . 2.05 110.278 -178.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.662 ' NE2' HH21 ' A' ' 47' ' ' ARG . 94.9 mt-30 -82.07 136.11 35.24 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.987 -1.07 . . . . 1.22 110.054 -179.759 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.3 p -66.85 -42.79 85.15 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.376 -0.827 . . . . 0.35 110.144 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.662 HH21 ' NE2' ' A' ' 45' ' ' GLN . 21.7 ptt180 -55.14 -35.37 64.64 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.794 -1.191 . . . . 0.86 108.827 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.498 ' CB ' HH12 ' A' ' 51' ' ' ARG . 84.5 m-20 -70.01 -29.02 65.98 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.998 -1.064 . . . . 0.33 109.108 178.77 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.6 tp -54.95 -44.47 74.35 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 107.991 -1.115 . . . . 0.37 107.991 179.446 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' A' ' 50' ' ' ARG . 17.4 ttt-85 -57.74 -40.08 78.83 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.654 -1.239 . . . . 3.24 107.654 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.498 HH12 ' CB ' ' A' ' 48' ' ' ASN . 12.2 ttp-105 -65.31 -39.26 92.26 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.515 -0.874 . . . . 0.45 109.534 178.712 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -60.4 -39.59 87.91 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.346 -0.847 . . . . 0.33 109.604 -179.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.63 -40.7 92.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.119 -0.988 . . . . 0.44 110.353 -179.676 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.797 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 66.5 mm-40 -74.31 -24.34 59.21 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.293 -0.879 . . . . 2.08 111.914 -178.719 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.8 mt -94.55 -43.38 8.35 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 120.695 -1.253 . . . . 0.5 112.024 -178.466 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.1 mmm180 -104.04 16.93 25.17 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.924 -1.11 . . . . 2.21 112.462 -177.807 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 96.8 m-70 -153.96 -72.99 0.13 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.003 -1.686 . . . . 0.67 110.941 179.502 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -78.89 8.6 5.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.866 -1.146 . . . . 0.88 109.52 -179.415 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.797 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.327 -0.858 . . . . 1.07 108.815 179.511 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.226 0.536 . . . . 0.93 110.856 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -98.2 0.79 46.49 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.478 -0.764 . . . . 2.1 109.069 178.708 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.639 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 26.3 t-80 -83.71 -29.11 0.44 Allowed Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.285 -0.885 . . . . 3.25 112.339 -179.129 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 50.2 Cg_exo -51.96 156.04 7.72 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 121.628 1.552 . . . . 1.0 112.125 -178.239 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.3 170.11 14.04 Favored 'Trans proline' 0 N--CA 1.507 2.275 0 C-N-CA 123.418 2.745 . . . . 1.37 113.285 -179.315 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.86 28.58 60.57 Favored Glycine 0 N--CA 1.495 2.58 0 N-CA-C 110.153 -1.179 . . . . 1.3 110.153 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.708 ' O ' HG23 ' A' ' 21' ' ' THR . 7.1 t -94.45 89.71 5.95 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.204 -1.174 . . . . 1.05 109.451 179.595 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -83.31 140.63 32.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.455 -0.778 . . . . 2.59 108.906 179.043 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -109.13 78.69 1.04 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.749 -0.594 . . . . 2.32 109.923 179.76 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -43.1 159.11 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.906 1.737 . . . . 0.86 112.57 179.378 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -68.97 -39.82 79.21 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.351 -0.843 . . . . 3.74 111.449 -179.531 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -69.93 11.94 0.25 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.652 -1.28 . . . . 0.87 111.489 -178.324 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -92.95 -69.49 0.74 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.828 -1.17 . . . . 1.06 112.204 -178.659 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.7 p -87.6 -29.41 21.26 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.94 -1.1 . . . . 0.66 110.678 -177.872 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.11 -35.08 79.58 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.989 -1.069 . . . . 2.82 109.052 179.035 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.6 m -60.06 -31.0 69.58 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.421 -0.799 . . . . 0.44 109.739 -179.543 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 76.5 mm-40 -68.31 140.28 55.94 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 119.657 -0.817 . . . . 1.3 109.303 -179.841 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -113.16 151.88 44.61 Favored Pre-proline 0 N--CA 1.493 1.717 0 N-CA-C 107.845 -1.168 . . . . 2.07 107.845 -179.786 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.38 154.35 30.02 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 121.205 1.27 . . . . 0.48 111.261 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.89 133.68 22.34 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.402 -0.811 . . . . 0.27 109.972 -179.257 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.526 HG22 ' N ' ' A' ' 36' ' ' CYS . 90.5 m -114.33 162.07 17.08 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.758 0.789 . . . . 0.39 109.724 -179.786 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.526 ' N ' HG22 ' A' ' 35' ' ' THR . 2.0 t -104.91 105.21 50.31 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.696 -0.627 . . . . 0.42 109.408 -179.53 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.27 -5.2 0.35 Allowed 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.879 1.719 . . . . 0.8 113.353 179.641 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.409 HD12 ' CD2' ' A' ' 57' ' ' HIS . 52.8 mt -96.22 -61.36 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 120.643 -1.286 . . . . 0.53 109.872 179.813 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.8 p -110.63 17.34 20.78 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.228 -0.92 . . . . 0.47 109.62 179.901 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 51.61 24.68 2.43 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.58 -0.7 . . . . 0.66 110.654 179.128 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.538 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -61.12 140.44 57.89 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.638 -1.289 . . . . 0.38 107.566 178.317 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 t -95.19 110.8 24.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 121.357 -0.84 . . . . 0.42 109.644 -179.537 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 34' ' ' ALA . 46.4 mm -108.99 129.59 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 107.898 -1.149 . . . . 0.26 107.898 179.06 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -74.48 -58.8 3.06 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.369 -0.832 . . . . 2.05 110.606 -178.639 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -78.71 136.12 37.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.291 -0.88 . . . . 1.22 110.338 -179.03 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 99.8 p -65.89 -38.09 87.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.959 -1.088 . . . . 0.35 109.25 179.138 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.432 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -56.69 -39.63 74.14 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.462 -0.94 . . . . 0.86 108.462 179.838 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 99.5 m-20 -66.08 -31.4 72.25 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.26 -0.9 . . . . 0.33 109.966 179.371 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.2 tp -55.49 -44.84 76.91 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.716 -1.193 . . . . 0.37 108.698 -179.223 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.453 ' HG2' HH11 ' A' ' 50' ' ' ARG . 6.8 mmt-85 -59.73 -41.79 91.7 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 119.355 -0.938 . . . . 3.24 108.542 179.363 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -63.23 -39.84 95.74 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.438 0.637 . . . . 0.45 109.715 -179.514 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -60.56 -40.06 90.22 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.735 -0.603 . . . . 0.33 110.15 -179.267 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.23 -39.95 94.54 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.26 -0.9 . . . . 0.44 110.256 -179.605 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.744 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 85.5 mt-10 -71.81 -25.0 61.82 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.663 -1.273 . . . . 2.08 111.736 -179.238 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.4 mt -97.98 -36.7 10.05 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.989 -1.069 . . . . 0.5 113.113 -177.391 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.564 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 25.6 mmm180 -105.44 7.79 33.28 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 120.677 -1.264 . . . . 2.21 111.907 -177.946 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.564 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 85.3 m-70 -153.1 -67.78 0.15 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.148 -1.595 . . . . 0.67 110.953 179.36 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -77.57 8.03 4.84 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.507 -1.371 . . . . 0.88 109.924 -179.146 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.299 -1.594 0 O-C-N 121.761 -0.587 . . . . 1.07 110.512 179.64 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 109.597 -0.52 . . . . 0.93 109.597 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -97.87 9.56 42.39 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.027 -1.046 . . . . 2.1 109.707 179.663 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.614 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 6.7 t-80 -83.79 -28.49 0.42 Allowed Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 121.196 -0.94 . . . . 3.25 111.759 -178.888 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 80.3 Cg_exo -48.95 155.5 2.61 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.549 1.499 . . . . 1.0 111.829 -179.555 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.2 168.22 16.41 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.471 2.114 . . . . 1.37 111.52 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.23 27.18 66.57 Favored Glycine 0 N--CA 1.487 2.093 0 N-CA-C 108.684 -1.767 . . . . 1.3 108.684 -179.555 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 21' ' ' THR . 4.1 t -94.24 91.36 6.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -1.09 . . . . 1.05 108.353 179.543 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -78.07 141.32 38.9 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.095 -0.706 . . . . 2.59 109.095 179.819 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -107.67 77.24 0.6 Allowed Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.569 -0.707 . . . . 2.32 110.223 -179.61 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -69.91 141.88 45.77 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 121.2 1.267 . . . . 0.86 111.255 179.42 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HG2' HH11 ' A' ' 25' ' ' ARG . 23.2 mtt-85 -74.45 -6.85 50.63 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.17 -0.957 . . . . 3.74 110.048 -179.377 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 m -69.86 -9.26 54.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.048 -1.032 . . . . 0.87 109.988 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -100.42 -24.29 14.53 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.152 -0.968 . . . . 1.06 109.261 -179.634 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.5 p -107.68 -31.46 8.06 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.522 -0.736 . . . . 0.66 109.456 179.641 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -61.12 -39.89 91.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 2.82 109.831 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 m -58.56 -26.16 63.28 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.745 0.783 . . . . 0.44 109.501 -179.472 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.578 ' CD ' HH21 ' A' ' 47' ' ' ARG . 75.7 mm-40 -87.45 137.78 32.04 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.586 -0.696 . . . . 1.3 110.431 -178.878 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.481 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 21.1 mp0 -113.58 150.28 43.0 Favored Pre-proline 0 N--CA 1.501 2.093 0 N-CA-C 107.606 -1.257 . . . . 2.07 107.606 178.331 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -50.36 157.03 3.45 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 121.171 1.247 . . . . 0.48 111.033 -179.173 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -141.93 137.02 30.99 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.331 -0.856 . . . . 0.27 109.171 179.736 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.3 m -117.03 142.78 46.53 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 109.084 -0.71 . . . . 0.39 109.084 -179.777 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.9 t -82.63 129.56 62.0 Favored Pre-proline 0 C--N 1.301 -1.533 0 N-CA-C 108.735 -0.839 . . . . 0.42 108.735 179.499 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -77.46 -4.74 14.98 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 121.949 1.766 . . . . 0.8 112.615 -179.431 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.7 mt -100.32 -54.99 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.356 -0.84 . . . . 0.53 110.041 -178.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.635 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.0 p -116.53 22.74 12.55 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.49 -0.756 . . . . 0.47 110.829 -179.512 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 49.18 13.66 0.07 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.917 -1.114 . . . . 0.66 111.097 178.695 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.635 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -54.39 133.36 45.42 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 106.944 -1.502 . . . . 0.38 106.944 178.601 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 t -92.44 110.09 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.203 -0.936 . . . . 0.42 110.114 -177.804 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 34' ' ' ALA . 31.8 mm -105.19 127.9 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 107.764 -1.199 . . . . 0.26 107.764 179.165 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.503 HH11 ' HG2' ' A' ' 44' ' ' ARG . 13.8 mtt-85 -74.52 -60.02 2.47 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.863 -1.148 . . . . 2.05 110.241 -178.866 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -79.65 137.54 37.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.224 -0.922 . . . . 1.22 109.967 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.1 p -66.3 -33.87 76.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.35 109.732 -179.681 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.578 HH21 ' CD ' ' A' ' 31' ' ' GLU . 10.0 ptp180 -57.52 -41.76 81.47 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.123 -0.986 . . . . 0.86 109.62 -179.781 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.483 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.2 m-20 -68.65 -25.55 64.88 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 109.009 -0.738 . . . . 0.33 109.009 -179.271 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.65 -49.79 76.36 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.974 -1.079 . . . . 0.37 108.624 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -57.9 -42.12 84.05 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.157 -1.423 . . . . 3.24 107.157 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -61.68 -36.11 79.93 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.328 0.585 . . . . 0.45 109.839 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -65.74 -39.49 91.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.178 -0.951 . . . . 0.33 109.696 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.01 -45.05 94.04 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.101 -1.0 . . . . 0.44 110.231 -179.164 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.794 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 89.3 mt-10 -70.91 -24.33 62.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.276 -0.89 . . . . 2.08 113.127 -178.712 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 59' ' ' ALA . 83.3 mt -99.85 -34.09 10.28 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.652 -1.28 . . . . 0.5 111.205 -178.19 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.479 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 17.3 mmm180 -104.18 6.61 35.77 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.082 -1.011 . . . . 2.21 112.644 -177.798 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 93.7 m-70 -153.1 -70.37 0.15 Allowed 'General case' 0 N--CA 1.506 2.352 0 O-C-N 119.99 -1.694 . . . . 0.67 111.13 -179.644 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -76.83 7.44 4.74 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.848 -1.158 . . . . 0.88 109.198 -179.236 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.794 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.714 0 O-C-N 120.987 -1.071 . . . . 1.07 109.659 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.91 0 CA-C-O 121.037 0.446 . . . . 0.93 109.863 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -96.51 8.15 44.8 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.299 -0.875 . . . . 2.1 109.697 179.246 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.632 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 35.7 t-80 -83.96 -31.49 0.49 Allowed Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.19 -0.944 . . . . 3.25 112.233 -178.832 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 78.3 Cg_exo -47.06 155.91 0.85 Allowed 'Trans proline' 0 N--CA 1.503 2.083 0 C-N-CA 122.909 2.406 . . . . 1.0 113.234 -179.078 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -68.09 162.93 37.93 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 123.093 2.528 . . . . 1.37 112.743 -178.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.96 12.72 83.84 Favored Glycine 0 N--CA 1.484 1.865 0 N-CA-C 109.16 -1.576 . . . . 1.3 109.16 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 21' ' ' THR . 10.0 t -89.89 90.26 8.1 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.463 -1.022 . . . . 1.05 108.507 179.738 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -82.57 142.51 31.73 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.065 -1.022 . . . . 2.59 109.132 -179.522 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -89.12 111.12 43.15 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.347 -0.846 . . . . 2.32 109.766 -179.862 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -82.58 134.53 7.6 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.933 1.755 . . . . 0.86 111.077 179.201 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -69.07 -18.15 63.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.134 -0.979 . . . . 3.74 111.136 -178.729 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -71.3 -5.36 31.7 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.903 -1.123 . . . . 0.87 110.668 -178.441 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' A' ' 27' ' ' ARG . 13.3 mmt-85 -102.56 -26.24 13.3 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.046 -1.034 . . . . 1.06 110.622 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.3 p -101.94 -39.48 7.33 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 120.96 -1.088 . . . . 0.66 110.669 -178.826 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -63.6 -31.15 72.23 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.829 -1.169 . . . . 2.82 109.315 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.6 m -55.89 -35.64 66.76 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.455 -0.778 . . . . 0.44 109.23 179.895 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -89.89 143.36 26.86 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.286 -0.884 . . . . 1.3 110.387 -179.38 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -117.16 154.66 50.05 Favored Pre-proline 0 N--CA 1.498 1.968 0 N-CA-C 108.112 -1.07 . . . . 2.07 108.112 179.164 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -44.22 153.0 0.35 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.922 1.748 . . . . 0.48 112.281 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.44 133.84 23.22 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.197 -0.939 . . . . 0.27 110.685 -179.253 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 36' ' ' CYS . 63.7 m -114.22 162.42 16.57 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.576 -0.702 . . . . 0.39 109.501 179.174 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.512 ' N ' HG22 ' A' ' 35' ' ' THR . 6.7 t -105.89 105.81 54.56 Favored Pre-proline 0 N--CA 1.5 2.064 0 O-C-N 121.23 -0.919 . . . . 0.42 109.968 -179.674 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.56 -7.5 0.87 Allowed 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.223 1.949 . . . . 0.8 113.158 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.452 HD12 ' CD2' ' A' ' 57' ' ' HIS . 53.0 mt -95.71 -63.53 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.93 -1.106 . . . . 0.53 110.116 -178.889 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.578 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.7 p -108.0 14.37 25.29 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.157 -0.965 . . . . 0.47 109.636 -179.892 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 55.38 19.93 3.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.495 -0.753 . . . . 0.66 110.801 179.48 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.578 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.82 138.3 57.83 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.683 -1.261 . . . . 0.38 107.731 178.677 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.4 t -94.27 113.88 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.144 -0.972 . . . . 0.42 109.361 -179.467 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' ALA . 24.4 mm -110.33 126.15 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 107.749 -1.204 . . . . 0.26 107.749 179.066 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.577 HH11 ' HG2' ' A' ' 44' ' ' ARG . 6.4 mtt-85 -74.22 -60.44 2.26 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.843 -1.161 . . . . 2.05 109.826 -179.348 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -76.97 132.3 38.94 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.856 -1.152 . . . . 1.22 109.495 179.579 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.6 p -64.58 -40.42 95.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 0.35 110.377 -179.423 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.0 ptp180 -54.32 -42.18 69.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.74 -1.225 . . . . 0.86 108.753 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.473 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 99.1 m-20 -60.16 -31.98 70.62 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.811 -0.756 . . . . 0.33 109.443 179.296 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.1 tp -57.32 -44.45 84.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.007 -1.058 . . . . 0.37 108.841 -179.645 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -59.69 -39.8 85.77 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.93 -1.137 . . . . 3.24 107.93 179.304 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -64.12 -37.55 87.86 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 109.031 -0.729 . . . . 0.45 109.031 178.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -64.19 -44.59 91.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.679 -0.638 . . . . 0.33 110.318 -179.48 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 58' ' ' PHE . 91.6 mt -55.42 -43.3 75.19 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.876 -1.14 . . . . 0.44 110.096 -179.773 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.627 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 41.3 mt-10 -71.31 -28.77 64.34 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.404 -0.81 . . . . 2.08 111.787 -179.257 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -87.7 -40.44 14.13 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.612 -1.305 . . . . 0.5 112.412 -177.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.54 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 19.9 mmm180 -106.09 1.0 25.96 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.843 -1.161 . . . . 2.21 113.392 -176.691 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 72.3 m-70 -148.23 -65.18 0.25 Allowed 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.146 -1.597 . . . . 0.67 111.41 -178.55 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' LEU . 35.1 m-85 -79.96 17.5 0.96 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.381 -0.825 . . . . 0.88 110.556 -178.547 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.298 -1.66 0 O-C-N 121.118 -0.988 . . . . 1.07 108.756 179.783 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.183 0 CA-C-O 121.186 0.517 . . . . 0.93 110.698 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -89.1 17.93 5.44 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.209 -0.932 . . . . 2.1 109.086 178.475 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.61 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.3 t-80 -79.23 -29.86 0.62 Allowed Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.306 -0.871 . . . . 3.25 112.913 -177.755 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.0 Cg_exo -54.4 147.01 48.82 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.563 1.509 . . . . 1.0 112.457 -179.048 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.83 166.62 26.66 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.345 2.03 . . . . 1.37 112.543 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.62 34.52 53.61 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.362 -1.095 . . . . 1.3 110.362 179.422 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.724 ' O ' HG23 ' A' ' 21' ' ' THR . 9.7 t -89.42 93.96 9.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.132 -1.216 . . . . 1.05 109.13 -179.916 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -81.3 154.32 26.61 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.248 -0.907 . . . . 2.59 108.659 179.713 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -106.6 98.18 19.54 Favored Pre-proline 0 N--CA 1.503 2.221 0 O-C-N 121.498 -0.751 . . . . 2.32 110.362 -179.461 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -70.67 138.66 35.42 Favored 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 120.938 1.092 . . . . 0.86 110.996 178.33 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -67.9 -21.27 65.15 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.421 -0.8 . . . . 3.74 109.858 179.89 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.8 m -70.65 -1.64 11.9 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.138 -0.976 . . . . 0.87 111.595 -178.933 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -104.42 -25.77 12.69 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.762 -1.212 . . . . 1.06 109.429 -179.68 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 p -104.96 -30.86 9.53 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.446 -0.784 . . . . 0.66 109.519 -179.868 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -59.85 -40.64 89.23 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.324 -0.86 . . . . 2.82 109.866 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.9 m -59.59 -23.25 62.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.287 -0.883 . . . . 0.44 109.501 179.867 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -92.14 137.13 32.62 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.33 -0.856 . . . . 1.3 109.796 -179.625 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -125.93 151.47 71.39 Favored Pre-proline 0 N--CA 1.502 2.134 0 N-CA-C 108.486 -0.931 . . . . 2.07 108.486 179.402 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -41.72 149.61 0.24 Allowed 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.317 1.345 . . . . 0.48 112.515 -179.071 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -143.66 133.5 23.94 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.422 -0.799 . . . . 0.27 110.522 -179.872 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.53 HG22 ' N ' ' A' ' 36' ' ' CYS . 78.5 m -111.96 161.93 15.89 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.516 -0.74 . . . . 0.39 109.774 179.559 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.53 ' N ' HG22 ' A' ' 35' ' ' THR . 4.1 t -104.59 104.69 46.73 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 121.753 -0.592 . . . . 0.42 109.798 179.601 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.08 -5.37 0.52 Allowed 'Trans proline' 0 N--CA 1.5 1.863 0 C-N-CA 121.873 1.715 . . . . 0.8 113.021 179.469 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 38' ' ' ILE . 7.0 mt -96.17 -61.63 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 120.798 -1.189 . . . . 0.53 109.808 -179.459 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 18.0 p -109.94 16.55 21.87 Favored 'General case' 0 N--CA 1.507 2.379 0 O-C-N 121.296 -0.878 . . . . 0.47 109.221 179.292 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 53.26 17.24 0.97 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.58 -0.7 . . . . 0.66 111.029 179.099 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.666 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.3 140.19 53.84 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.885 -1.134 . . . . 0.38 108.21 179.342 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.2 t -93.48 111.83 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.184 -0.947 . . . . 0.42 110.19 -178.311 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 34' ' ' ALA . 23.4 mm -109.1 132.3 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 107.567 -1.272 . . . . 0.26 107.567 178.895 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -74.36 -65.31 0.87 Allowed 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 118.84 -1.144 . . . . 2.05 109.977 -178.899 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.67 ' NE2' HH21 ' A' ' 47' ' ' ARG . 81.8 mt-30 -78.93 139.58 38.24 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.231 -0.918 . . . . 1.22 111.042 -178.75 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.4 p -66.73 -39.96 88.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.524 -0.735 . . . . 0.35 109.867 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.67 HH21 ' NE2' ' A' ' 45' ' ' GLN . 27.3 ptt180 -54.66 -39.29 67.89 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.031 -1.043 . . . . 0.86 109.167 -179.785 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -70.01 -27.35 64.61 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.072 -1.017 . . . . 0.33 109.465 179.323 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.45 -47.09 85.13 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.135 -0.978 . . . . 0.37 109.2 -179.709 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.9 ttm-85 -59.89 -40.2 87.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.513 -1.367 . . . . 3.24 107.894 179.184 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -63.01 -37.15 86.02 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.551 -0.718 . . . . 0.45 109.625 179.645 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -61.64 -38.28 87.13 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.495 -0.753 . . . . 0.33 109.515 179.614 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.78 -44.14 94.03 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.303 -0.873 . . . . 0.44 110.334 -179.589 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.681 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 94.4 mt-10 -75.18 -20.46 59.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.275 -0.891 . . . . 2.08 112.172 -178.614 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -97.41 -39.42 9.19 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.795 -1.191 . . . . 0.5 111.48 -179.165 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -105.66 12.52 31.0 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.085 -1.009 . . . . 2.21 112.415 -177.361 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -151.03 -71.94 0.17 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.247 -1.533 . . . . 0.67 111.429 179.821 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -79.94 10.76 3.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.194 -0.941 . . . . 0.88 109.585 -178.317 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.497 -0.752 . . . . 1.07 109.238 179.508 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.989 0 CA-C-O 120.946 0.403 . . . . 0.93 110.589 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -95.36 1.66 54.37 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.548 -0.72 . . . . 2.1 109.58 178.008 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.632 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 89.4 m-70 -81.99 -28.15 0.45 Allowed Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.336 -0.852 . . . . 3.25 112.542 -178.303 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 75.9 Cg_exo -51.78 151.82 14.47 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 121.887 1.725 . . . . 1.0 113.024 -178.912 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -70.6 166.25 29.25 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.949 2.433 . . . . 1.37 112.464 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.62 35.2 59.3 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 110.032 -1.227 . . . . 1.3 110.032 -179.795 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 21' ' ' THR . 9.8 t -92.08 89.71 7.06 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.107 -1.231 . . . . 1.05 108.491 179.803 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -81.39 140.1 34.9 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.091 -1.005 . . . . 2.59 109.617 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -105.06 72.24 0.22 Allowed Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 121.377 -0.827 . . . . 2.32 110.544 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.06 145.02 59.85 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.048 1.832 . . . . 0.86 111.925 179.587 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.505 HH11 ' HG2' ' A' ' 25' ' ' ARG . 11.5 mmt-85 -72.99 -3.51 26.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.974 -1.079 . . . . 3.74 109.668 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -71.04 -13.41 61.98 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.684 -1.26 . . . . 0.87 109.822 -179.501 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.46 HH11 ' HG2' ' A' ' 27' ' ' ARG . 7.4 mmt-85 -98.52 -20.94 16.78 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.269 -0.894 . . . . 1.06 110.324 179.563 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.0 p -109.42 -38.15 5.54 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.242 -0.911 . . . . 0.66 109.601 -179.649 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.456 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 64.8 tp60 -59.04 -38.05 78.44 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.872 -1.143 . . . . 2.82 109.337 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 m -59.11 -28.26 66.36 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.114 -0.991 . . . . 0.44 109.051 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -88.57 136.03 33.2 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.389 -0.819 . . . . 1.3 108.813 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 29' ' ' GLN . 54.2 mm-40 -116.46 150.93 46.32 Favored Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 109.113 -0.699 . . . . 2.07 109.113 -179.369 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -40.09 155.13 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.074 1.849 . . . . 0.48 112.473 -179.703 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.532 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -147.87 135.42 20.77 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.124 -0.985 . . . . 0.27 111.483 -178.793 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.3 m -117.42 145.45 44.11 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-O 121.682 0.753 . . . . 0.39 110.091 179.174 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.0 t -85.83 122.3 72.96 Favored Pre-proline 0 N--CA 1.493 1.676 0 N-CA-C 108.36 -0.978 . . . . 0.42 108.36 178.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -77.83 1.73 8.58 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.586 1.524 . . . . 0.8 111.653 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.4 mt -99.26 -51.76 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.454 -0.779 . . . . 0.53 109.813 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.5 p -121.73 14.85 10.96 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.43 -0.794 . . . . 0.47 109.934 -179.749 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 56.15 15.79 2.0 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.526 -0.734 . . . . 0.66 111.143 179.092 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.633 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.14 134.87 56.86 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.321 -1.363 . . . . 0.38 107.321 177.872 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.7 t -95.58 114.45 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 120.693 -1.254 . . . . 0.42 110.526 -179.325 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.7 mm -110.53 134.65 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 106.606 -1.627 . . . . 0.26 106.606 177.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -74.9 -59.68 2.63 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 120.482 -1.386 . . . . 2.05 111.57 -177.567 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.564 ' OE1' ' NH1' ' A' ' 47' ' ' ARG . 82.6 mt-30 -79.91 137.75 36.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.387 -0.821 . . . . 1.22 110.723 -178.385 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.5 p -65.95 -39.45 90.45 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.293 -0.879 . . . . 0.35 110.535 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.714 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -61.91 -36.54 81.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.208 -1.557 . . . . 0.86 108.809 179.21 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.465 ' ND2' HH12 ' A' ' 47' ' ' ARG . 98.6 m-20 -66.23 -31.66 72.62 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.034 -1.041 . . . . 0.33 108.679 178.612 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.532 HD22 ' HB1' ' A' ' 34' ' ' ALA . 61.8 tp -60.02 -40.3 88.83 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.153 -0.967 . . . . 0.37 109.76 -179.628 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' A' ' 50' ' ' ARG . 8.3 mtt-85 -59.14 -40.7 86.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.989 -1.069 . . . . 3.24 108.167 -179.649 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -60.55 -40.26 90.92 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.445 0.641 . . . . 0.45 109.842 179.528 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -61.83 -34.91 76.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.472 -0.768 . . . . 0.33 109.517 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.35 -45.04 94.87 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.959 -1.088 . . . . 0.44 109.489 179.766 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.789 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 46.6 mt-10 -77.17 -16.14 59.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.855 -1.153 . . . . 2.08 112.839 -178.168 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.8 mt -99.28 -40.88 7.71 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.333 -1.48 . . . . 0.5 111.679 -178.641 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' HG3' HH11 ' A' ' 56' ' ' ARG . 20.5 mmm-85 -105.06 15.44 27.6 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.986 -1.071 . . . . 2.21 112.231 -178.327 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.407 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.9 m-70 -150.68 -73.68 0.16 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.398 -1.439 . . . . 0.67 111.212 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -80.23 8.84 6.55 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.756 -1.215 . . . . 0.88 110.094 -178.768 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.789 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.218 -0.926 . . . . 1.07 110.372 -179.326 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 120.977 0.418 . . . . 0.93 110.344 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -91.59 12.84 19.67 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.41 -0.806 . . . . 2.1 109.204 178.662 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 64.4 t-80 -77.04 -31.83 0.92 Allowed Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.156 -0.965 . . . . 3.25 111.765 -178.869 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 32.5 Cg_exo -57.19 151.29 52.3 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 121.698 1.598 . . . . 1.0 112.113 -178.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.07 177.99 7.09 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.514 2.143 . . . . 1.37 112.654 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.33 22.75 67.05 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.56 -1.016 . . . . 1.3 110.56 179.269 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -92.53 83.62 4.96 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.82 -1.4 . . . . 1.05 109.675 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.3 mp0 -83.02 167.7 17.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.458 -0.776 . . . . 2.59 109.023 179.375 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -105.26 73.17 0.24 Allowed Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 121.145 -0.972 . . . . 2.32 110.259 179.561 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -72.51 134.13 21.89 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.744 1.63 . . . . 0.86 111.522 179.298 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HG2' HH11 ' A' ' 25' ' ' ARG . 33.5 mtt-85 -72.8 -9.52 58.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.197 -0.94 . . . . 3.74 109.518 -179.957 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.1 m -68.94 -4.72 17.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.945 -1.097 . . . . 0.87 109.907 -179.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -106.96 -29.93 9.15 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.286 -0.884 . . . . 1.06 108.859 179.674 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.5 p -101.32 -29.98 11.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.37 -0.831 . . . . 0.66 109.375 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.85 -38.78 89.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.929 -1.107 . . . . 2.82 108.669 179.356 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.1 m -59.71 -28.02 66.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.397 -0.815 . . . . 0.44 109.619 179.279 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.533 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 79.7 mm-40 -92.78 134.29 35.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.072 -1.017 . . . . 1.3 109.921 -178.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -114.6 155.91 45.44 Favored Pre-proline 0 N--CA 1.501 2.106 0 N-CA-C 109.382 -0.599 . . . . 2.07 109.382 -179.5 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -49.01 150.84 6.37 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 C-N-CA 121.708 1.605 . . . . 0.48 111.777 179.475 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -142.46 135.1 28.11 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.228 -0.92 . . . . 0.27 110.133 -179.508 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.7 m -114.87 138.21 51.06 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.489 -0.757 . . . . 0.39 109.922 179.728 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.78 133.02 73.66 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.406 -0.809 . . . . 0.42 109.051 179.132 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -78.72 -7.85 15.71 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 121.525 1.483 . . . . 0.8 112.735 179.721 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.6 mt -99.06 -54.7 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.087 -1.008 . . . . 0.53 111.107 -178.928 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.2 p -115.95 21.65 13.62 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.285 -0.885 . . . . 0.47 110.44 -179.386 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 48.61 18.89 0.2 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.272 -0.892 . . . . 0.66 112.136 178.522 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.491 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.18 132.77 54.56 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 107.544 -1.28 . . . . 0.38 107.544 178.336 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.18 112.2 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.995 -1.066 . . . . 0.42 109.573 -179.154 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 34' ' ' ALA . 9.4 mm -109.96 129.58 64.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 107.971 -1.122 . . . . 0.26 107.971 179.209 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' A' ' 44' ' ' ARG . 37.9 mtt-85 -72.66 -57.66 3.95 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.305 -0.872 . . . . 2.05 111.248 -178.642 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -79.84 131.42 35.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.057 -1.027 . . . . 1.22 111.065 -179.077 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.6 p -64.76 -34.49 78.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.453 -0.78 . . . . 0.35 109.309 179.187 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.533 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -60.84 -30.68 70.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.771 -1.206 . . . . 0.86 107.948 178.762 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -77.47 -25.18 50.27 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.673 -0.862 . . . . 0.33 108.673 179.299 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.07 -51.99 67.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.249 -0.907 . . . . 0.37 109.199 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -61.35 -37.67 84.17 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.572 -1.33 . . . . 3.24 108.469 179.518 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -61.46 -39.56 91.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.232 -0.918 . . . . 0.45 109.014 178.94 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -60.44 -38.37 83.92 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.571 -0.705 . . . . 0.33 109.656 179.582 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.2 mt -58.48 -41.0 84.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.142 -0.974 . . . . 0.44 110.107 -179.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.685 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 72.0 mm-40 -74.3 -17.09 60.9 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.057 -1.027 . . . . 2.08 111.641 -179.232 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.7 mt -100.63 -39.51 7.84 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.793 -1.192 . . . . 0.5 112.48 -178.32 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.531 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.1 mmm-85 -109.52 14.65 23.41 Favored 'General case' 0 N--CA 1.51 2.53 0 O-C-N 120.878 -1.139 . . . . 2.21 112.349 -177.423 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 93.7 m-70 -154.63 -69.74 0.13 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.304 -1.498 . . . . 0.67 110.378 -179.835 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -81.66 11.25 4.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.407 -0.808 . . . . 0.88 110.116 -179.56 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.367 -0.833 . . . . 1.07 110.267 -179.457 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 121.021 0.439 . . . . 0.93 110.532 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -91.99 9.86 31.41 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.29 -0.882 . . . . 2.1 109.255 178.441 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.62 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.7 t60 -81.98 -27.95 0.45 Allowed Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.131 -0.981 . . . . 3.25 113.214 -177.475 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 70.1 Cg_exo -52.17 148.99 22.99 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.665 1.577 . . . . 1.0 111.979 -179.165 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.15 166.76 27.22 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.019 1.812 . . . . 1.37 112.574 -179.512 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.91 30.49 63.41 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 109.352 -1.499 . . . . 1.3 109.352 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.683 ' O ' HG23 ' A' ' 21' ' ' THR . 9.8 t -85.96 98.95 11.1 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.028 -1.278 . . . . 1.05 108.907 -179.854 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -81.91 148.95 28.48 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.771 -0.825 . . . . 2.59 108.771 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -101.32 85.97 0.68 Allowed Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 121.136 -0.978 . . . . 2.32 109.557 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.96 136.79 58.76 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.339 1.36 . . . . 0.86 111.876 -179.182 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -75.16 -11.24 60.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.7 -0.625 . . . . 3.74 111.897 -178.486 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -69.64 -4.55 19.89 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.23 -1.544 . . . . 0.87 109.251 -179.467 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -97.65 -21.89 16.77 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.472 -0.767 . . . . 1.06 109.994 -179.274 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.5 p -109.15 -33.6 6.83 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.139 -0.976 . . . . 0.66 110.255 -179.435 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -66.91 -30.91 71.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.854 -1.154 . . . . 2.82 108.715 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.4 m -67.14 -28.65 68.31 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.143 -0.973 . . . . 0.44 108.536 178.855 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.526 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 64.5 mm-40 -95.68 139.96 31.17 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.367 -0.833 . . . . 1.3 109.533 179.555 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -119.81 154.09 54.96 Favored Pre-proline 0 N--CA 1.498 1.935 0 N-CA-C 107.863 -1.162 . . . . 2.07 107.863 178.843 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -43.67 154.31 0.22 Allowed 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 121.713 1.609 . . . . 0.48 112.253 -179.715 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.03 142.48 29.8 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.247 -0.908 . . . . 0.27 110.299 179.694 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.7 m -117.42 149.32 40.74 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.548 -0.72 . . . . 0.39 109.645 179.361 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.6 t -86.47 129.88 51.47 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 121.225 -0.922 . . . . 0.42 108.644 178.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.23 -3.81 13.74 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.82 1.68 . . . . 0.8 112.477 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.7 mt -101.31 -55.14 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.337 -0.852 . . . . 0.53 110.033 -179.627 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.1 p -118.06 26.06 9.91 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.392 -0.818 . . . . 0.47 110.579 -179.297 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 45.17 18.55 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.149 -0.969 . . . . 0.66 112.132 178.709 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.554 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.49 137.11 53.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.586 -1.321 . . . . 0.38 107.71 178.185 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -92.75 112.43 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.752 -1.218 . . . . 0.42 109.217 -179.2 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.1 mm -109.23 127.52 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.892 -1.151 . . . . 0.26 107.892 179.268 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.447 HH11 ' HG2' ' A' ' 44' ' ' ARG . 24.9 mtt-85 -71.93 -59.77 2.58 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.952 -1.092 . . . . 2.05 110.652 -179.116 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -79.79 137.81 37.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.907 -1.12 . . . . 1.22 110.67 -179.45 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 p -67.57 -32.28 72.93 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.516 -0.74 . . . . 0.35 109.999 179.589 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.526 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -63.34 -31.81 73.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.773 -1.205 . . . . 0.86 108.94 179.778 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -79.56 -14.16 59.04 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.97 -1.081 . . . . 0.33 108.173 179.174 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.6 tp -68.1 -53.25 26.84 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.121 -0.987 . . . . 0.37 108.668 179.183 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -61.78 -36.88 82.36 Favored 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 118.766 -1.174 . . . . 3.24 108.157 179.802 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -62.63 -40.11 95.95 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.431 -0.951 . . . . 0.45 108.431 178.152 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -59.95 -36.98 78.23 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.531 -0.914 . . . . 0.33 108.531 179.544 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.68 -44.64 96.27 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.034 -1.042 . . . . 0.44 109.449 178.888 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.748 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 85.4 mt-10 -73.7 -22.68 59.84 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.096 -1.003 . . . . 2.08 111.922 -179.291 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.2 mt -95.27 -40.58 9.48 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.938 -1.101 . . . . 0.5 112.027 -178.172 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.6 mmm-85 -108.44 17.23 22.32 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 120.714 -1.242 . . . . 2.21 111.815 -178.055 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.8 m-70 -153.42 -75.13 0.12 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.27 -1.519 . . . . 0.67 110.627 179.058 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -77.97 12.64 1.69 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.023 -1.048 . . . . 0.88 109.572 -179.568 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.496 1.837 0 O-C-N 121.296 -0.877 . . . . 1.07 110.029 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.496 0.665 . . . . 0.93 109.949 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -90.78 13.77 15.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.302 -0.874 . . . . 2.1 109.543 179.248 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.402 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -78.08 -49.33 1.96 Allowed Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 120.881 -1.137 . . . . 3.25 110.432 -178.954 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 83.1 Cg_exo -46.44 155.82 0.67 Allowed 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.755 1.637 . . . . 1.0 111.55 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -67.83 177.69 4.01 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 121.893 1.729 . . . . 1.37 112.315 -178.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.06 20.16 76.19 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.812 -1.315 . . . . 1.3 109.812 -179.71 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.59 84.66 5.53 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.185 -1.185 . . . . 1.05 108.741 179.471 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -78.52 148.4 33.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.424 -0.798 . . . . 2.59 109.984 -179.514 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -105.52 75.11 0.3 Allowed Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 121.46 -0.775 . . . . 2.32 110.488 -179.244 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -63.47 138.62 66.34 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.089 1.193 . . . . 0.86 111.123 179.552 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -72.66 -7.52 50.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.282 -0.886 . . . . 3.74 110.237 -179.109 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.8 m -71.24 -6.28 38.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.755 -1.216 . . . . 0.87 109.747 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -103.81 -26.69 12.61 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.108 -0.995 . . . . 1.06 110.611 -178.516 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.0 p -99.2 -34.39 10.37 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.896 -1.127 . . . . 0.66 110.265 -179.312 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -63.77 -30.67 71.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.057 -1.027 . . . . 2.82 109.709 179.47 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -56.86 -32.9 66.28 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.093 -1.004 . . . . 0.44 109.7 179.674 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' A' ' 47' ' ' ARG . 58.0 mm-40 -95.63 145.12 25.5 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.043 -1.035 . . . . 1.3 110.418 -179.571 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -112.82 150.41 42.75 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 107.052 -1.462 . . . . 2.07 107.052 178.735 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -44.19 153.0 0.35 Allowed 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.16 1.24 . . . . 0.48 111.583 -179.159 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.5 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -145.45 133.68 21.67 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.211 -0.931 . . . . 0.27 110.984 -179.15 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 36' ' ' CYS . 88.7 m -113.45 161.51 17.24 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.505 0.669 . . . . 0.39 109.926 179.557 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.529 ' N ' HG22 ' A' ' 35' ' ' THR . 5.1 t -105.12 104.55 47.68 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.56 -0.712 . . . . 0.42 110.365 -179.857 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.77 -3.67 0.47 Allowed 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.09 1.86 . . . . 0.8 113.534 179.099 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.8 mt -97.02 -53.01 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.184 0 O-C-N 120.727 -1.233 . . . . 0.53 110.238 -179.038 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.5 p -120.67 14.35 11.76 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.391 -0.818 . . . . 0.47 108.844 179.58 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 36' ' ' CYS . 95.5 m-85 54.43 20.72 2.89 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.649 -0.657 . . . . 0.66 111.017 179.198 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.54 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.9 135.91 57.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.55 -1.344 . . . . 0.38 107.551 178.564 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.2 t -93.99 111.74 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.96 -1.087 . . . . 0.42 109.824 -178.71 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.5 mm -112.15 120.26 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 N-CA-C 108.053 -1.092 . . . . 0.26 108.053 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -67.83 -51.46 48.29 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.901 -1.124 . . . . 2.05 111.326 -178.463 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -82.03 132.52 35.26 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.012 -1.055 . . . . 1.22 110.778 -179.463 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.3 p -62.28 -39.51 93.19 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.511 -0.743 . . . . 0.35 109.31 179.053 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.539 ' NH2' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.8 -39.69 85.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.177 -0.952 . . . . 0.86 109.311 179.994 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.44 -31.81 73.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.777 -1.202 . . . . 0.33 109.313 179.041 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD22 ' HB1' ' A' ' 34' ' ' ALA . 62.6 tp -59.97 -40.84 90.45 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.825 -1.172 . . . . 0.37 109.195 -179.8 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.92 -44.39 94.35 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.997 -1.112 . . . . 3.24 107.997 179.43 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -63.93 -36.79 85.12 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.563 -0.711 . . . . 0.45 109.864 179.111 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -61.34 -42.11 98.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.335 -0.853 . . . . 0.33 109.601 -179.797 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.24 -43.54 96.01 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.363 -0.836 . . . . 0.44 111.254 -179.642 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.677 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 77.6 mm-40 -71.45 -25.76 62.44 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.074 -1.016 . . . . 2.08 112.397 -178.189 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.5 mt -98.17 -31.42 12.11 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.82 -1.175 . . . . 0.5 111.949 -177.781 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.558 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 3.3 mmp_? -105.3 0.31 26.97 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.014 -1.054 . . . . 2.21 112.566 -177.602 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.558 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 77.6 m-70 -149.66 -68.31 0.21 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.271 -1.518 . . . . 0.67 111.146 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -76.28 10.13 2.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.027 -1.046 . . . . 0.88 109.455 -178.962 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 107.707 -1.22 . . . . 1.07 107.707 178.852 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 121.433 0.635 . . . . 0.93 109.833 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -96.86 7.49 46.5 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.544 -0.91 . . . . 2.1 108.544 178.852 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.515 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 4.6 m-70 -81.4 -42.0 1.1 Allowed Pre-proline 0 N--CA 1.499 1.977 0 O-C-N 121.425 -0.797 . . . . 3.25 111.245 -178.265 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 88.7 Cg_exo -52.31 151.34 17.84 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 121.969 1.779 . . . . 1.0 113.432 -179.306 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -81.49 -178.97 4.58 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 123.043 2.496 . . . . 1.37 111.781 179.203 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.01 15.59 80.93 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 110.042 -1.223 . . . . 1.3 110.042 178.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 21' ' ' THR . 5.1 t -92.53 88.97 6.54 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.978 -1.307 . . . . 1.05 109.933 179.911 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -78.73 144.66 35.03 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.935 -1.103 . . . . 2.59 108.394 178.27 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -97.52 108.68 46.59 Favored Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 121.183 -0.948 . . . . 2.32 110.075 -179.616 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -85.79 148.11 9.59 Favored 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 122.309 2.006 . . . . 0.86 112.396 179.534 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -68.54 -18.58 64.39 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.507 -0.746 . . . . 3.74 109.736 179.67 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -68.63 -6.8 27.91 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.219 -0.926 . . . . 0.87 111.065 -179.424 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 27' ' ' ARG . 15.0 mmt-85 -105.89 -22.69 12.86 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.994 -1.066 . . . . 1.06 110.083 -179.339 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 p -108.77 -35.32 6.43 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.467 -0.771 . . . . 0.66 109.056 179.145 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -64.22 -37.02 85.96 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.563 0.697 . . . . 2.82 109.891 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.1 m -57.31 -28.95 63.52 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.215 -0.928 . . . . 0.44 110.168 -179.296 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -93.51 144.46 25.34 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.653 -1.279 . . . . 1.3 109.66 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -117.81 152.52 50.09 Favored Pre-proline 0 N--CA 1.502 2.146 0 N-CA-C 108.021 -1.103 . . . . 2.07 108.021 179.296 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -42.21 153.55 0.13 Allowed 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.198 1.932 . . . . 0.48 112.906 -179.279 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.497 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -144.68 132.51 21.26 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.235 -0.916 . . . . 0.27 110.442 179.737 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.9 m -113.77 152.02 31.18 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.35 -0.843 . . . . 0.39 109.938 179.747 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.5 t -91.12 129.37 43.98 Favored Pre-proline 0 N--CA 1.489 1.495 0 N-CA-C 109.508 -0.553 . . . . 0.42 109.508 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -80.03 0.17 10.22 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 121.878 1.719 . . . . 0.8 112.722 -179.771 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.5 mt -102.81 -48.78 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.233 -0.917 . . . . 0.53 110.026 -179.576 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.2 p -122.55 14.23 10.21 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.341 -0.849 . . . . 0.47 110.388 -179.626 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 56.83 18.11 3.63 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.979 -1.076 . . . . 0.66 111.061 179.392 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.612 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.93 137.09 57.06 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.5 -1.296 . . . . 0.38 107.5 178.655 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -98.15 110.11 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.366 -0.834 . . . . 0.42 109.664 -178.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.5 mm -109.27 129.88 63.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 N-CA-C 106.97 -1.493 . . . . 0.26 106.97 179.049 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -74.12 -59.69 2.61 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 119.142 -1.023 . . . . 2.05 110.287 -178.485 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -77.59 131.99 38.08 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.027 -1.045 . . . . 1.22 110.187 -179.084 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.4 p -62.63 -40.0 95.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.595 -0.691 . . . . 0.35 110.369 179.878 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.0 ptp180 -54.75 -42.38 71.59 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.001 -1.062 . . . . 0.86 108.622 -179.011 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.493 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.3 m-20 -66.27 -28.76 68.95 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.727 -0.608 . . . . 0.33 109.955 -179.835 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.497 HD22 ' HB1' ' A' ' 34' ' ' ALA . 52.0 tp -60.22 -44.76 94.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.912 -1.118 . . . . 0.37 109.018 -179.032 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -60.32 -39.87 88.59 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.193 -0.942 . . . . 3.24 108.513 179.398 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -63.92 -36.63 84.58 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.741 -0.837 . . . . 0.45 108.741 179.356 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -63.86 -30.54 71.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.773 -0.579 . . . . 0.33 109.82 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 58' ' ' PHE . 88.7 mt -68.39 -40.22 81.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.201 -0.937 . . . . 0.44 109.53 -179.843 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.694 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 88.1 mt-10 -76.83 -17.34 59.06 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.277 -0.89 . . . . 2.08 111.442 -178.737 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.1 mt -96.44 -40.53 9.04 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.19 -1.569 . . . . 0.5 111.558 -179.389 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.578 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.0 mmm180 -108.02 9.66 28.44 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.15 -0.969 . . . . 2.21 112.818 -177.119 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 82.5 m-70 -153.73 -69.77 0.14 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.142 -1.599 . . . . 0.67 110.587 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 53' ' ' LEU . 49.5 m-85 -78.6 14.25 1.36 Allowed 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.076 -1.015 . . . . 0.88 109.103 -179.26 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.295 -1.771 0 N-CA-C 108.824 -0.806 . . . . 1.07 108.824 179.19 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.318 0.58 . . . . 0.93 110.638 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -91.78 10.29 29.07 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.435 -0.95 . . . . 2.1 108.435 178.716 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.595 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -78.85 -30.67 0.68 Allowed Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.25 -0.906 . . . . 3.25 113.017 -177.622 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 82.1 Cg_exo -48.44 141.66 18.93 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 121.781 1.654 . . . . 1.0 113.031 -178.316 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -76.39 168.51 23.71 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 122.741 2.294 . . . . 1.37 112.85 -179.668 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.95 35.09 51.17 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.728 -1.349 . . . . 1.3 109.728 179.607 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.27 91.09 7.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -1.162 . . . . 1.05 109.784 -179.542 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -76.87 149.9 36.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.963 -1.086 . . . . 2.59 109.363 179.839 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -107.15 87.2 2.93 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.672 -0.643 . . . . 2.32 111.017 -178.765 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.92 137.69 15.96 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 121.31 1.34 . . . . 0.86 110.404 178.304 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HG2' HH11 ' A' ' 25' ' ' ARG . 16.9 mmt-85 -71.55 -7.82 50.05 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.133 -0.979 . . . . 3.74 109.899 -178.696 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.9 m -72.03 -5.45 35.18 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.121 -0.987 . . . . 0.87 109.937 -179.885 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.514 HH11 ' HG2' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -99.63 -24.75 14.63 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.129 -0.982 . . . . 1.06 110.216 -179.937 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.0 p -105.76 -38.21 6.46 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.023 -1.048 . . . . 0.66 110.471 -179.076 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -68.76 -26.82 65.42 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.05 -1.031 . . . . 2.82 109.828 -179.789 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -58.25 -36.11 72.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.36 -0.837 . . . . 0.44 109.665 -179.281 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.614 ' CG ' HH21 ' A' ' 47' ' ' ARG . 80.0 mm-40 -83.79 149.4 26.44 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.278 -0.889 . . . . 1.3 109.093 179.459 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -113.85 153.06 46.11 Favored Pre-proline 0 N--CA 1.502 2.129 0 N-CA-C 108.527 -0.916 . . . . 2.07 108.527 179.657 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -49.79 153.9 5.4 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.646 1.564 . . . . 0.48 111.174 179.908 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.5 136.92 23.86 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.015 -1.053 . . . . 0.27 111.061 -178.741 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.8 m -115.93 139.84 49.83 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.696 0.76 . . . . 0.39 109.894 178.862 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.5 t -76.31 132.86 72.29 Favored Pre-proline 0 C--N 1.302 -1.487 0 N-CA-C 108.983 -0.747 . . . . 0.42 108.983 179.511 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -79.58 -7.32 14.72 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.322 1.348 . . . . 0.8 112.318 179.772 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.9 mt -99.15 -53.7 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 O-C-N 121.26 -0.9 . . . . 0.53 111.431 -179.11 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 19.0 p -114.21 15.13 18.23 Favored 'General case' 0 N--CA 1.51 2.538 0 O-C-N 121.092 -1.005 . . . . 0.47 110.02 -179.295 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 53.29 19.68 1.64 Allowed 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.348 -0.845 . . . . 0.66 110.13 179.639 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.667 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.42 137.75 57.89 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.578 -1.638 . . . . 0.38 106.578 177.713 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.2 t -93.9 115.0 31.66 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 121.038 -1.039 . . . . 0.42 110.124 -178.903 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 34' ' ' ALA . 35.4 mm -109.2 127.97 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 N-CA-C 107.749 -1.204 . . . . 0.26 107.749 178.899 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -74.34 -59.74 2.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.826 -1.171 . . . . 2.05 109.189 -179.43 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -77.73 132.1 37.98 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.685 -0.806 . . . . 1.22 110.78 -178.63 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.8 p -66.63 -34.87 78.83 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.448 -0.783 . . . . 0.35 109.768 -179.866 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.614 HH21 ' CG ' ' A' ' 31' ' ' GLU . 10.5 ptp180 -54.52 -42.95 71.45 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.664 -1.272 . . . . 0.86 108.324 179.601 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.461 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 95.0 m-20 -65.9 -30.74 71.38 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.497 -0.752 . . . . 0.33 110.043 179.751 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.1 tp -54.11 -49.44 69.14 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.924 -1.11 . . . . 0.37 109.053 -178.976 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.472 ' HG2' HH11 ' A' ' 50' ' ' ARG . 16.6 ttt-85 -59.06 -40.5 85.35 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.125 -1.065 . . . . 3.24 108.125 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -66.17 -37.37 85.48 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.517 -0.739 . . . . 0.45 109.841 178.953 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -60.11 -39.67 87.03 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.533 -0.73 . . . . 0.33 109.107 -179.238 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.79 -41.49 97.8 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.012 -1.055 . . . . 0.44 109.617 178.733 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.727 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 96.0 mt-10 -70.93 -28.37 64.44 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.225 -0.922 . . . . 2.08 111.736 -179.537 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.6 mt -95.63 -38.95 10.16 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.469 -1.394 . . . . 0.5 112.292 -178.53 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 18.7 mmm180 -102.93 9.78 38.59 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.028 -1.045 . . . . 2.21 112.536 -176.764 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 93.7 m-70 -154.41 -66.62 0.14 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.078 -1.639 . . . . 0.67 111.064 179.896 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -82.78 11.05 6.42 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.897 -1.127 . . . . 0.88 109.965 -179.182 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.345 -0.847 . . . . 1.07 109.598 179.672 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 121.012 0.434 . . . . 0.93 110.164 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -93.65 -2.05 54.49 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.316 -0.865 . . . . 2.1 109.651 179.039 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.616 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 32.6 t-80 -77.54 -32.29 0.92 Allowed Pre-proline 0 N--CA 1.5 2.058 0 O-C-N 121.485 -0.759 . . . . 3.25 112.583 -178.031 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.5 Cg_exo -53.67 149.25 32.78 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.128 1.885 . . . . 1.0 111.962 -179.211 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -76.68 172.89 15.38 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.693 2.262 . . . . 1.37 112.998 179.11 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.54 28.63 61.11 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.857 -1.297 . . . . 1.3 109.857 179.692 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.722 ' O ' HG23 ' A' ' 21' ' ' THR . 8.6 t -91.64 86.69 6.07 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.022 -1.281 . . . . 1.05 108.052 179.331 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -76.3 148.24 37.65 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.453 -0.779 . . . . 2.59 110.167 -179.119 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -106.78 76.51 0.44 Allowed Pre-proline 0 N--CA 1.499 1.975 0 O-C-N 121.294 -0.878 . . . . 2.32 109.896 179.703 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.03 150.8 85.13 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 121.816 1.678 . . . . 0.86 112.512 -179.575 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.532 ' HG2' HH11 ' A' ' 25' ' ' ARG . 13.5 mtt-85 -70.35 -13.6 62.22 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.983 -1.073 . . . . 3.74 110.841 -179.061 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 m -70.59 -5.01 26.06 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.606 -1.309 . . . . 0.87 109.895 179.962 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -108.7 -26.24 10.44 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.146 -0.971 . . . . 1.06 110.494 -178.984 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 p -108.05 -28.88 9.29 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.335 -0.853 . . . . 0.66 110.123 -179.354 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -60.45 -37.73 81.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.963 -1.086 . . . . 2.82 109.607 -179.885 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.8 m -58.86 -30.22 67.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.398 -0.814 . . . . 0.44 108.927 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -84.84 132.98 34.34 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.567 0.699 . . . . 1.3 110.231 -178.956 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -115.18 150.61 44.64 Favored Pre-proline 0 N--CA 1.502 2.153 0 N-CA-C 108.861 -0.792 . . . . 2.07 108.861 179.896 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -50.58 152.84 8.57 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.86 1.707 . . . . 0.48 111.279 -179.587 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -147.29 142.57 27.31 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.002 -1.061 . . . . 0.27 112.32 -178.505 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.48 HG22 ' N ' ' A' ' 36' ' ' CYS . 83.5 m -117.19 160.38 21.15 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 121.419 0.628 . . . . 0.39 110.196 178.804 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.48 ' N ' HG22 ' A' ' 35' ' ' THR . 5.6 t -104.7 104.76 47.51 Favored Pre-proline 0 N--CA 1.501 2.099 0 O-C-N 121.398 -0.814 . . . . 0.42 110.071 179.943 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.42 -4.28 0.75 Allowed 'Trans proline' 0 N--CA 1.502 1.981 0 C-N-CA 121.92 1.747 . . . . 0.8 113.349 179.39 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.1 mt -96.8 -53.25 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 120.717 -1.239 . . . . 0.53 109.688 -179.229 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.675 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 19.1 p -120.31 16.38 12.25 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.414 -0.804 . . . . 0.47 109.205 178.999 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' CYS . 94.2 m-85 52.0 19.19 0.95 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.545 -0.722 . . . . 0.66 110.643 179.503 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.675 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.6 138.74 57.63 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.97 -1.493 . . . . 0.38 106.97 178.268 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.61 114.46 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.699 -1.251 . . . . 0.42 110.077 -178.722 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ALA . 33.8 mm -109.06 129.95 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 107.254 -1.387 . . . . 0.26 107.254 178.14 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -71.48 -63.44 1.12 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.728 -1.232 . . . . 2.05 110.281 -178.388 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.614 HE22 ' NH2' ' A' ' 47' ' ' ARG . 85.8 mt-30 -79.63 132.09 36.16 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.129 -0.982 . . . . 1.22 110.252 -179.414 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.5 p -62.54 -35.45 79.47 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.656 -0.652 . . . . 0.35 110.432 179.34 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.614 ' NH2' HE22 ' A' ' 45' ' ' GLN . 27.6 ptt180 -58.96 -36.99 75.74 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.743 -1.223 . . . . 0.86 108.312 179.586 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.88 -29.23 67.48 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.277 -0.89 . . . . 0.33 109.35 179.048 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.1 tp -59.65 -43.55 93.88 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.218 -0.926 . . . . 0.37 109.466 -179.246 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.404 ' CD ' ' H ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -59.02 -40.19 84.22 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.337 -1.357 . . . . 3.24 107.337 179.07 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -64.36 -37.04 86.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.612 -0.68 . . . . 0.45 109.491 179.147 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -63.85 -37.65 88.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.375 -0.828 . . . . 0.33 109.565 179.601 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.66 -43.85 93.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.151 -0.968 . . . . 0.44 109.922 -179.631 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.741 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 99.2 mt-10 -73.69 -15.12 61.24 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.144 -0.973 . . . . 2.08 111.68 -179.425 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -98.5 -47.13 5.5 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 120.92 -1.113 . . . . 0.5 112.091 -177.873 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.428 ' HG3' HH11 ' A' ' 56' ' ' ARG . 20.3 mmm-85 -104.61 17.93 23.19 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.929 -1.107 . . . . 2.21 112.009 -178.229 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.7 m-70 -151.25 -78.56 0.12 Allowed 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.666 -1.271 . . . . 0.67 110.604 178.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -80.4 15.28 1.66 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.801 -1.187 . . . . 0.88 110.496 -179.156 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.047 -1.033 . . . . 1.07 109.202 179.665 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.867 0 N-CA-C 109.231 -0.655 . . . . 0.93 109.231 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -90.4 11.56 21.15 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.201 -0.937 . . . . 2.1 108.924 178.382 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.618 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.0 m80 -79.32 -28.83 0.56 Allowed Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.438 -0.789 . . . . 3.25 112.621 -177.973 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.5 Cg_exo -54.38 142.61 68.94 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.603 1.535 . . . . 1.0 111.479 -179.125 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.11 171.54 15.03 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.376 2.051 . . . . 1.37 112.581 -179.306 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.88 31.11 62.55 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.822 -1.311 . . . . 1.3 109.822 179.861 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.82 90.93 8.62 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.008 -1.29 . . . . 1.05 108.958 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -80.51 139.08 36.56 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.355 -0.84 . . . . 2.59 109.262 -179.904 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -105.94 97.69 16.13 Favored Pre-proline 0 N--CA 1.5 2.032 0 O-C-N 121.634 -0.666 . . . . 2.32 109.484 179.849 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -84.37 154.93 12.4 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 C-N-CA 121.466 1.444 . . . . 0.86 111.415 178.735 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.61 -18.93 65.63 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.325 -0.859 . . . . 3.74 110.7 -179.21 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.7 m -70.12 -3.71 17.95 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.641 -1.287 . . . . 0.87 110.844 -179.271 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.549 HH11 ' HG2' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -103.05 -29.95 11.05 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.965 -1.084 . . . . 1.06 111.178 -179.612 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 p -110.16 -43.13 4.0 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.154 -0.966 . . . . 0.66 109.495 179.947 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -59.02 -37.87 77.91 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.627 -0.829 . . . . 2.82 109.404 -178.764 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.0 m -58.88 -30.51 67.8 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.286 -0.884 . . . . 0.44 109.521 179.926 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -76.75 134.62 39.11 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.175 -0.953 . . . . 1.3 108.913 179.823 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -117.08 152.13 48.47 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.836 -0.801 . . . . 2.07 108.836 -179.488 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -49.59 155.9 3.34 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.746 1.631 . . . . 0.48 112.462 -179.644 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -145.68 133.89 21.66 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.435 -0.791 . . . . 0.27 109.843 -179.658 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.4 m -113.96 145.05 42.08 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.356 -0.84 . . . . 0.39 110.029 179.349 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -82.11 129.26 64.8 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.295 -0.878 . . . . 0.42 109.028 179.9 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -76.25 -6.01 16.78 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.723 1.616 . . . . 0.8 112.122 -179.893 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.0 mt -100.51 -57.5 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.279 -0.888 . . . . 0.53 110.964 -179.359 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.2 p -114.07 25.73 10.89 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.445 -0.784 . . . . 0.47 110.201 -179.149 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 43.37 18.03 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.326 -0.859 . . . . 0.66 111.485 178.597 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.589 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.96 135.71 57.68 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.358 -1.349 . . . . 0.38 107.358 178.413 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.38 118.56 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.946 -1.097 . . . . 0.42 110.468 -178.7 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 36.2 mm -111.16 130.0 65.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 107.638 -1.245 . . . . 0.26 107.638 178.729 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.444 HH11 ' HG2' ' A' ' 44' ' ' ARG . 9.4 mtt-85 -74.12 -60.94 2.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.552 -1.342 . . . . 2.05 110.735 -178.634 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.57 ' OE1' ' NH1' ' A' ' 47' ' ' ARG . 75.8 mt-30 -81.42 132.44 35.32 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.797 -1.19 . . . . 1.22 109.647 -179.616 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.1 p -63.58 -37.68 88.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.153 -0.967 . . . . 0.35 111.002 -179.154 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.715 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -57.27 -36.2 70.7 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 120.2 -1.563 . . . . 0.86 109.023 -179.818 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.589 ' ND2' HH12 ' A' ' 47' ' ' ARG . 92.4 m-20 -67.53 -29.32 68.69 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.111 -0.993 . . . . 0.33 108.464 178.389 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.0 tp -57.74 -45.82 85.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.92 -1.113 . . . . 0.37 109.787 179.985 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.428 HH12 ' HA ' ' A' ' 47' ' ' ARG . 20.7 mtm-85 -60.01 -38.44 82.64 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 117.961 -1.496 . . . . 3.24 107.31 179.834 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -62.31 -38.65 90.26 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.731 -0.606 . . . . 0.45 109.395 178.968 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -61.82 -40.15 94.28 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.508 -0.745 . . . . 0.33 110.47 -179.535 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.53 -46.79 87.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.955 -1.091 . . . . 0.44 109.998 -179.218 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.705 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 77.9 mm-40 -71.64 -21.86 61.76 Favored 'General case' 0 C--N 1.293 -1.883 0 O-C-N 121.287 -0.883 . . . . 2.08 111.806 -178.791 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.75 -36.99 10.97 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.606 -1.309 . . . . 0.5 111.814 -178.69 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.534 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 21.4 mmm-85 -109.98 16.99 21.55 Favored 'General case' 0 N--CA 1.508 2.425 0 O-C-N 120.759 -1.213 . . . . 2.21 112.636 -177.92 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.1 m-70 -154.83 -72.01 0.12 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.259 -1.525 . . . . 0.67 110.732 179.472 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -81.31 11.71 4.16 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.997 -1.065 . . . . 0.88 109.68 -179.62 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.295 -1.796 0 N-CA-C 108.996 -0.742 . . . . 1.07 108.996 179.669 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 121.526 0.679 . . . . 0.93 110.392 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -86.81 5.91 34.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.417 -0.802 . . . . 2.1 109.221 179.17 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.458 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 10.5 m-70 -78.65 -53.78 1.19 Allowed Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 121.099 -1.001 . . . . 3.25 112.234 -179.027 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 17' ' ' HIS . 2.2 Cg_endo -42.82 163.69 0.04 OUTLIER 'Trans proline' 0 N--CA 1.5 1.888 0 C-N-CA 121.842 1.695 . . . . 1.0 112.346 -179.178 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -66.96 174.44 6.81 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.688 2.259 . . . . 1.37 112.126 -178.903 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.41 13.34 80.61 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.801 -1.319 . . . . 1.3 109.801 -179.888 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.707 ' O ' HG23 ' A' ' 21' ' ' THR . 9.4 t -90.36 87.25 6.73 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.11 -1.23 . . . . 1.05 109.678 -179.765 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -83.03 144.45 29.92 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.641 -0.662 . . . . 2.59 110.08 179.962 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -107.28 69.67 0.27 Allowed Pre-proline 0 N--CA 1.508 2.451 0 O-C-N 121.242 -0.911 . . . . 2.32 111.033 -179.776 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -56.61 148.96 61.19 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.263 1.309 . . . . 0.86 111.245 178.936 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.05 -18.13 62.58 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.121 -0.987 . . . . 3.74 110.222 -179.56 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.5 m -70.1 -4.31 20.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.287 -0.883 . . . . 0.87 110.338 -179.265 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -92.93 -46.05 7.67 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.095 -1.003 . . . . 1.06 110.313 -179.029 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.4 p -100.81 -28.93 12.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.455 -0.778 . . . . 0.66 110.264 -178.52 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -60.45 -38.74 85.13 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.764 -1.21 . . . . 2.82 108.396 179.106 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.2 m -59.38 -31.8 69.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.283 -0.886 . . . . 0.44 109.178 179.553 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -81.56 143.23 32.14 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.132 -0.98 . . . . 1.3 110.233 -179.553 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -129.99 154.25 81.17 Favored Pre-proline 0 N--CA 1.496 1.834 0 N-CA-C 107.912 -1.144 . . . . 2.07 107.912 179.28 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.11 153.86 11.73 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.735 1.623 . . . . 0.48 111.976 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.44 134.06 21.01 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.16 -0.963 . . . . 0.27 111.119 -179.295 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.8 m -112.32 145.07 40.68 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.315 -0.866 . . . . 0.39 109.606 179.095 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.2 t -82.87 127.4 69.88 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.276 -0.89 . . . . 0.42 109.341 -179.856 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.38 -3.31 13.53 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 121.859 1.706 . . . . 0.8 112.61 -179.534 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.9 mt -100.93 -53.64 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.228 -0.92 . . . . 0.53 110.085 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.5 p -118.96 18.03 13.26 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 121.341 -0.849 . . . . 0.47 110.751 -179.407 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 54.49 16.26 1.25 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.261 -0.899 . . . . 0.66 111.902 178.545 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.554 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.16 134.73 56.74 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.575 -1.328 . . . . 0.38 107.587 177.854 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -94.02 117.62 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.914 -1.116 . . . . 0.42 110.07 -179.1 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.6 mm -112.44 131.17 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 107.069 -1.456 . . . . 0.26 107.069 178.508 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.503 HH11 ' HG2' ' A' ' 44' ' ' ARG . 18.0 mtt-85 -74.53 -61.97 1.69 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.662 -1.274 . . . . 2.05 110.537 -178.555 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.676 HE22 ' NH2' ' A' ' 47' ' ' ARG . 88.3 mt-30 -77.33 141.31 39.95 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.13 -0.981 . . . . 1.22 110.294 -179.098 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.4 p -69.33 -36.79 77.3 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.036 -1.04 . . . . 0.35 110.019 179.828 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.676 ' NH2' HE22 ' A' ' 45' ' ' GLN . 26.0 ptt180 -60.04 -34.02 72.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.824 -1.173 . . . . 0.86 108.566 179.659 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.496 ' ND2' ' OE1' ' A' ' 45' ' ' GLN . 99.0 m-20 -69.79 -29.62 66.97 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.935 -0.765 . . . . 0.33 108.935 178.765 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.47 -41.01 93.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.865 . . . . 0.37 109.097 179.281 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -60.01 -39.43 85.78 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.52 -1.289 . . . . 3.24 107.52 179.258 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -67.16 -38.36 85.33 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 109.259 -0.645 . . . . 0.45 109.259 179.194 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -61.65 -41.26 97.27 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.354 -0.841 . . . . 0.33 109.513 179.853 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.07 -39.95 94.14 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.264 -0.898 . . . . 0.44 110.298 -179.916 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.722 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 79.2 mm-40 -72.06 -20.29 61.69 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.377 -0.827 . . . . 2.08 111.914 -178.422 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.1 mt -103.72 -32.84 9.17 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.917 -1.114 . . . . 0.5 112.347 -178.13 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.562 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.8 mmm-85 -108.0 6.69 27.34 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.547 -1.346 . . . . 2.21 112.144 -178.073 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 86.0 m-70 -152.32 -68.59 0.16 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.398 -1.439 . . . . 0.67 111.165 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -77.73 8.14 4.87 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.773 -1.204 . . . . 0.88 109.318 -179.536 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.298 -1.635 0 O-C-N 121.64 -0.662 . . . . 1.07 110.148 -179.67 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.383 -0.599 . . . . 0.93 109.383 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -94.76 10.73 34.02 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.521 -0.737 . . . . 2.1 109.423 179.637 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.621 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 68.8 m-70 -82.32 -31.31 0.54 Allowed Pre-proline 0 N--CA 1.498 1.969 0 O-C-N 121.017 -1.052 . . . . 3.25 112.25 -179.016 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 73.6 Cg_exo -49.82 154.31 5.05 Favored 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 122.061 1.84 . . . . 1.0 112.139 -178.755 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -62.25 168.95 8.56 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.628 2.219 . . . . 1.37 112.303 -178.642 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.57 21.21 75.44 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 110.53 -1.028 . . . . 1.3 110.53 179.464 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 21' ' ' THR . 5.8 t -91.68 89.82 7.29 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.904 -1.351 . . . . 1.05 109.103 179.394 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -74.76 141.77 44.38 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.124 -0.985 . . . . 2.59 108.672 179.409 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -106.53 88.43 3.36 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.802 -0.562 . . . . 2.32 109.709 -179.434 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.31 137.42 18.89 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 121.659 1.573 . . . . 0.86 111.213 179.512 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 1.3 mpt_? -73.34 -8.18 54.77 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.526 -0.734 . . . . 3.74 109.587 -179.628 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.4 m -71.09 -5.33 30.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.912 -1.118 . . . . 0.87 109.755 -179.694 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' A' ' 27' ' ' ARG . 9.9 mmt-85 -97.08 -17.16 20.15 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.55 -0.718 . . . . 1.06 109.637 179.852 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.4 p -109.38 -42.97 4.22 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.612 -0.68 . . . . 0.66 110.068 -179.858 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -60.54 -36.13 77.69 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.235 -0.916 . . . . 2.82 110.468 -179.198 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.1 m -62.21 -19.32 63.04 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.258 -1.015 . . . . 0.44 108.258 -179.89 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -92.04 143.85 26.05 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.58 -0.7 . . . . 1.3 110.208 -179.367 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.468 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 4.4 mp0 -116.45 152.82 48.57 Favored Pre-proline 0 N--CA 1.499 2.011 0 N-CA-C 108.974 -0.751 . . . . 2.07 108.974 -179.689 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -57.07 151.88 47.79 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 121.765 1.643 . . . . 0.48 110.783 179.395 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.68 133.31 23.65 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 119.896 -0.722 . . . . 0.27 110.908 -178.849 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.6 m -114.79 140.06 49.22 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.466 0.65 . . . . 0.39 109.791 179.306 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.444 ' HB3' ' N ' ' A' ' 41' ' ' ALA . 5.3 t -74.76 127.05 87.78 Favored Pre-proline 0 C--N 1.302 -1.461 0 N-CA-C 108.302 -0.999 . . . . 0.42 108.302 179.106 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.99 -2.68 12.9 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.055 1.837 . . . . 0.8 111.908 179.926 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.8 mt -103.13 -59.71 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.297 -0.877 . . . . 0.53 110.061 -179.381 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 13.9 p -112.7 27.45 9.62 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.479 -0.763 . . . . 0.47 110.356 -178.57 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 44.84 18.31 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.441 -0.787 . . . . 0.66 111.779 179.202 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.57 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.7 134.61 54.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.566 -1.334 . . . . 0.38 107.533 177.783 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -95.79 111.84 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.058 -1.026 . . . . 0.42 110.462 -178.443 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.5 mm -109.79 126.07 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 107.355 -1.35 . . . . 0.26 107.355 178.243 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -70.73 -59.53 2.76 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 118.852 -1.139 . . . . 2.05 110.731 -178.888 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.613 ' NE2' HH21 ' A' ' 47' ' ' ARG . 90.2 mt-30 -79.92 137.9 36.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.301 -0.874 . . . . 1.22 109.262 -179.284 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.6 p -68.28 -38.75 82.01 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.26 -0.9 . . . . 0.35 110.668 -178.923 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.613 HH21 ' NE2' ' A' ' 45' ' ' GLN . 22.4 ptt180 -53.31 -37.64 62.44 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.273 -0.892 . . . . 0.86 108.607 179.873 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -72.39 -25.37 61.48 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.589 -0.695 . . . . 0.33 109.386 178.972 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.13 -48.2 82.71 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.997 -1.064 . . . . 0.37 109.159 -179.663 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HG2' HH11 ' A' ' 50' ' ' ARG . 18.7 ttt-85 -59.74 -40.01 86.65 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.351 -1.352 . . . . 3.24 107.351 179.815 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.94 -39.57 86.0 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.07 -1.052 . . . . 0.45 109.195 178.6 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -61.45 -36.81 81.45 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.283 -0.885 . . . . 0.33 109.97 -179.375 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.69 -39.94 86.2 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.802 -1.186 . . . . 0.44 109.594 -179.869 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.735 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 48.0 mt-10 -74.88 -19.59 60.08 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.325 -0.859 . . . . 2.08 112.81 -178.107 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.9 mt -95.86 -45.08 7.11 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.474 -1.391 . . . . 0.5 112.533 -177.974 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.519 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.8 mmm-85 -107.16 19.56 20.21 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 120.625 -1.297 . . . . 2.21 111.757 -178.015 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 95.6 m-70 -155.35 -75.19 0.11 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 120.341 -1.475 . . . . 0.67 110.736 179.687 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -78.61 10.76 2.95 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.276 -0.89 . . . . 0.88 110.203 -178.94 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.329 -0.857 . . . . 1.07 108.7 178.885 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 121.15 0.5 . . . . 0.93 110.512 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -92.83 4.66 53.44 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.36 -0.838 . . . . 2.1 109.565 178.924 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.581 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 50.6 m-70 -80.74 -31.99 0.64 Allowed Pre-proline 0 N--CA 1.498 1.947 0 N-CA-C 113.384 0.883 . . . . 3.25 113.384 -177.534 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 76.9 Cg_exo -50.26 140.15 34.44 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 121.565 1.51 . . . . 1.0 111.951 -179.068 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -76.22 -179.55 5.36 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.201 1.934 . . . . 1.37 111.337 179.837 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.3 31.31 63.74 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.248 -1.541 . . . . 1.3 109.248 -179.753 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.692 ' O ' HG23 ' A' ' 21' ' ' THR . 10.1 t -89.32 95.7 10.4 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.248 -1.148 . . . . 1.05 109.53 -179.333 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.34 141.71 38.23 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.188 -1.042 . . . . 2.59 108.188 179.455 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -105.3 74.26 0.26 Allowed Pre-proline 0 N--CA 1.497 1.908 0 O-C-N 121.257 -0.902 . . . . 2.32 111.039 -179.127 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -60.28 146.83 95.66 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.668 1.579 . . . . 0.86 112.201 179.567 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.562 HH11 ' CG ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.4 -16.77 61.84 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.286 -0.884 . . . . 3.74 110.905 -179.06 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.2 m -71.31 -0.51 10.22 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.659 -1.275 . . . . 0.87 110.184 -179.569 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -89.74 -64.0 1.2 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.077 -1.014 . . . . 1.06 110.872 -178.998 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -88.82 -27.36 21.13 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.986 -1.071 . . . . 0.66 111.195 -178.321 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -61.74 -38.39 87.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.669 -1.27 . . . . 2.82 108.793 179.955 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.2 m -60.06 -31.03 69.61 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.603 -0.685 . . . . 0.44 110.689 -179.075 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -92.28 135.16 34.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.784 -1.197 . . . . 1.3 110.015 -178.785 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -113.28 149.37 41.36 Favored Pre-proline 0 N--CA 1.5 2.029 0 N-CA-C 109.116 -0.698 . . . . 2.07 109.116 -179.833 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -38.93 152.41 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.117 1.878 . . . . 0.48 112.065 -179.327 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -145.99 127.38 14.95 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.212 -0.93 . . . . 0.27 109.856 -179.465 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.506 HG22 ' N ' ' A' ' 36' ' ' CYS . 77.0 m -108.21 159.03 16.93 Favored 'General case' 0 N--CA 1.499 1.978 0 CA-C-O 121.849 0.833 . . . . 0.39 110.338 -179.699 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.506 ' N ' HG22 ' A' ' 35' ' ' THR . 2.6 t -93.98 128.4 41.41 Favored Pre-proline 0 C--N 1.304 -1.409 0 N-CA-C 108.79 -0.818 . . . . 0.42 108.79 179.725 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.07 -5.73 16.06 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.036 1.824 . . . . 0.8 112.278 -179.516 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.1 mt -97.82 -60.04 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.294 -0.879 . . . . 0.53 110.079 -179.554 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.621 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.9 p -112.45 23.01 14.05 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.393 -0.817 . . . . 0.47 110.826 -179.076 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 49.21 19.97 0.37 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.184 -0.947 . . . . 0.66 111.065 178.821 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.621 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.58 138.23 56.98 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 107.058 -1.46 . . . . 0.38 107.058 178.167 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.7 t -95.75 115.95 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.18 -0.95 . . . . 0.42 110.001 -178.844 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 42.8 mm -113.85 129.82 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 108.037 -1.098 . . . . 0.26 108.037 178.809 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -74.07 -62.37 1.53 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.885 -1.135 . . . . 2.05 111.245 -178.511 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -80.16 140.83 36.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.962 -1.086 . . . . 1.22 110.455 -179.743 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.9 p -66.83 -39.24 87.58 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.045 -1.034 . . . . 0.35 110.073 179.904 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 10.9 ptp180 -54.75 -36.96 65.35 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.654 -1.279 . . . . 0.86 108.522 179.592 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 99.1 m-20 -67.06 -30.76 70.92 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.603 -0.685 . . . . 0.33 109.336 -179.888 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.84 -42.47 89.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.155 -0.966 . . . . 0.37 108.912 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -59.24 -41.74 89.43 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.263 -1.014 . . . . 3.24 108.263 -179.74 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -66.67 -32.54 73.92 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.351 -0.843 . . . . 0.45 110.356 179.322 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -64.07 -43.29 95.9 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.158 -0.964 . . . . 0.33 110.201 -179.217 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.9 mt -62.0 -39.83 93.59 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.207 -0.933 . . . . 0.44 110.385 -179.656 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.786 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 98.3 mt-10 -70.05 -29.38 66.38 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.231 -0.918 . . . . 2.08 111.726 -178.507 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 59' ' ' ALA . 70.3 mt -98.81 -31.75 11.71 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.852 -1.155 . . . . 0.5 111.995 -178.312 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.545 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 21.3 mmm180 -107.14 8.84 30.35 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.003 -1.061 . . . . 2.21 112.199 -177.257 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.545 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.5 m-70 -155.31 -66.5 0.12 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 120.282 -1.511 . . . . 0.67 111.148 179.451 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -79.55 7.18 8.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.746 -1.221 . . . . 0.88 109.581 -179.068 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.516 -0.74 . . . . 1.07 109.042 178.981 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 109.378 -0.601 . . . . 0.93 109.378 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -92.94 10.09 32.75 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.156 -0.965 . . . . 2.1 109.623 179.262 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.633 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 52.8 t-80 -82.68 -30.11 0.49 Allowed Pre-proline 0 N--CA 1.497 1.922 0 O-C-N 121.201 -0.937 . . . . 3.25 112.905 -178.471 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 78.0 Cg_exo -52.46 139.78 55.26 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.162 1.908 . . . . 1.0 113.07 -178.197 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.7 173.4 13.44 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.344 2.029 . . . . 1.37 112.31 179.662 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.47 25.91 64.56 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 110.167 -1.173 . . . . 1.3 110.167 179.455 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.616 ' O ' HG23 ' A' ' 21' ' ' THR . 3.3 t -91.36 86.71 6.19 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.093 -1.24 . . . . 1.05 109.113 179.75 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -82.85 139.48 33.45 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.91 -1.144 . . . . 2.59 107.91 179.132 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -89.19 112.63 52.35 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 121.05 -1.031 . . . . 2.32 111.28 -178.673 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -86.36 136.42 4.73 Favored 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.285 1.99 . . . . 0.86 111.323 178.181 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.64 -21.11 62.66 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.261 -0.899 . . . . 3.74 110.618 -179.782 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 m -69.46 -2.23 10.63 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.125 -0.985 . . . . 0.87 109.717 -179.181 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' A' ' 27' ' ' ARG . 2.0 mmt-85 -107.72 -26.24 10.91 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 121.3 -0.875 . . . . 1.06 111.026 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 p -109.97 -36.22 5.93 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 120.897 -1.127 . . . . 0.66 109.121 -179.843 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -63.3 -35.65 81.06 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.35 -0.844 . . . . 2.82 110.381 -179.858 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.0 m -60.31 -26.62 66.67 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.768 -1.207 . . . . 0.44 110.448 -179.46 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.494 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 68.9 mm-40 -80.79 135.18 35.92 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.21 -0.931 . . . . 1.3 109.908 -179.609 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -114.91 153.58 47.01 Favored Pre-proline 0 N--CA 1.506 2.368 0 O-C-N 121.342 -0.849 . . . . 2.07 108.806 179.559 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -42.24 152.49 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.858 1.705 . . . . 0.48 112.088 179.151 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.91 131.13 17.42 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.163 -0.96 . . . . 0.27 109.375 179.692 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 36' ' ' CYS . 21.1 m -114.51 160.83 18.78 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.643 -0.66 . . . . 0.39 109.766 -179.365 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 40' ' ' TYR . 5.4 t -105.4 101.09 29.44 Favored Pre-proline 0 N--CA 1.495 1.802 0 N-CA-C 109.248 -0.649 . . . . 0.42 109.248 179.671 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.93 -3.23 0.43 Allowed 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 122.053 1.836 . . . . 0.8 113.741 -179.685 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.1 mt -95.46 -50.78 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.846 -1.159 . . . . 0.53 109.594 -178.977 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 13.7 p -121.03 8.14 10.39 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 109.027 -0.731 . . . . 0.47 109.027 179.608 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' CYS . 88.3 m-85 59.22 20.97 9.05 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.894 -0.504 . . . . 0.66 111.32 178.931 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.424 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.22 138.47 56.25 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.385 -1.447 . . . . 0.38 107.137 178.075 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -95.73 109.39 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.909 -1.119 . . . . 0.42 109.797 -178.973 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' ALA . 37.9 mm -109.96 129.54 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 N-CA-C 108.806 -0.812 . . . . 0.26 108.806 179.228 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -74.61 -56.22 5.05 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.835 -1.166 . . . . 2.05 110.708 -179.343 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.516 ' OE1' ' ND2' ' A' ' 48' ' ' ASN . 98.5 mt-30 -78.43 130.15 35.75 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.841 -1.162 . . . . 1.22 110.45 -179.205 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.3 p -63.22 -39.78 95.6 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.226 -0.921 . . . . 0.35 109.289 179.734 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.494 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -58.09 -41.46 83.51 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 118.552 -1.259 . . . . 0.86 108.821 179.534 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.516 ' ND2' ' OE1' ' A' ' 45' ' ' GLN . 86.1 m-20 -60.84 -35.61 76.99 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.227 -0.921 . . . . 0.33 109.687 179.866 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.86 -39.94 78.97 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.409 -0.959 . . . . 0.37 108.409 179.764 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -58.97 -40.68 85.5 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.82 -1.178 . . . . 3.24 107.82 179.703 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.417 HH12 ' HA ' ' A' ' 48' ' ' ASN . 13.7 ttp-105 -65.93 -36.4 83.26 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.83 -0.748 . . . . 0.45 109.006 178.833 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -65.54 -39.42 91.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.469 -0.769 . . . . 0.33 110.585 -179.692 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 58' ' ' PHE . 84.9 mt -59.18 -40.5 85.89 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.609 -1.307 . . . . 0.44 109.212 -179.447 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 47.7 mt-10 -72.64 -24.48 61.06 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.218 -0.926 . . . . 2.08 112.004 -179.447 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -88.68 -43.22 11.48 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.425 -1.422 . . . . 0.5 112.148 -177.279 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.6 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 29.2 mmm-85 -106.09 0.68 25.71 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.952 -1.093 . . . . 2.21 113.286 -176.919 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.6 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 46.5 m-70 -148.34 -65.34 0.25 Allowed 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.079 -1.638 . . . . 0.67 111.491 -179.056 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 53' ' ' LEU . 39.6 m-85 -79.43 21.07 0.51 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.078 -1.014 . . . . 0.88 110.121 -178.746 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 C--N 1.297 -1.674 0 O-C-N 121.534 -0.729 . . . . 1.07 109.668 -179.857 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 120.902 0.382 . . . . 0.93 110.467 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -94.88 4.57 53.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.252 -0.905 . . . . 2.1 110.148 179.059 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.599 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 6.7 t60 -83.08 -34.74 0.63 Allowed Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.195 -0.941 . . . . 3.25 112.187 -178.359 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 74.3 Cg_exo -50.84 155.8 5.33 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.843 1.695 . . . . 1.0 111.195 -179.122 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -57.91 165.42 6.67 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.411 2.074 . . . . 1.37 112.089 -179.035 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.59 17.27 73.66 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.097 -1.201 . . . . 1.3 110.097 179.711 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.44 85.45 5.77 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.131 -1.217 . . . . 1.05 108.655 179.424 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -74.99 146.23 41.84 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.094 -1.004 . . . . 2.59 108.932 -179.858 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -105.84 74.15 0.3 Allowed Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.388 -0.82 . . . . 2.32 110.786 -179.291 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.32 138.63 51.68 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 C-N-CA 121.276 1.317 . . . . 0.86 111.259 179.15 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.5 ' HG2' HH11 ' A' ' 25' ' ' ARG . 6.4 mmt-85 -71.37 -4.31 25.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.322 -0.862 . . . . 3.74 110.053 -179.29 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.3 m -69.54 -2.78 12.3 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.135 -0.978 . . . . 0.87 109.658 -179.909 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -106.13 -26.65 11.5 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.16 -0.962 . . . . 1.06 110.037 -179.158 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 p -105.91 -28.71 10.43 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.32 -0.862 . . . . 0.66 109.802 -179.451 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -66.37 -38.75 88.29 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.125 -0.984 . . . . 2.82 109.324 179.591 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.0 m -57.21 -31.64 65.69 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.439 -0.788 . . . . 0.44 109.627 -179.583 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -95.79 142.21 28.34 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.571 0.7 . . . . 1.3 110.09 -179.449 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -116.78 151.43 47.27 Favored Pre-proline 0 N--CA 1.494 1.755 0 N-CA-C 107.627 -1.249 . . . . 2.07 107.627 179.228 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -38.2 154.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 121.873 1.715 . . . . 0.48 112.035 179.722 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.76 137.87 26.76 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.005 -1.059 . . . . 0.27 109.964 179.604 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.7 m -114.91 148.99 37.93 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.417 -0.802 . . . . 0.39 110.153 -179.462 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.0 t -86.14 126.31 65.52 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 108.77 -0.826 . . . . 0.42 108.77 179.776 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.73 -0.45 10.2 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 121.129 1.22 . . . . 0.8 112.373 -179.709 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -104.11 -53.31 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.222 -0.923 . . . . 0.53 110.898 -179.588 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.4 p -118.08 17.04 14.13 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.264 -0.898 . . . . 0.47 110.186 -179.497 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 55.05 14.72 1.01 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.548 -0.72 . . . . 0.66 111.435 178.979 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -55.54 136.92 49.71 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.47 -1.394 . . . . 0.38 107.931 178.739 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.79 116.34 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.985 -1.072 . . . . 0.42 109.583 -179.093 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.1 mm -109.85 128.51 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.278 -1.379 . . . . 0.26 107.278 178.425 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.447 HH11 ' HG2' ' A' ' 44' ' ' ARG . 16.6 mtt-85 -71.44 -59.75 2.6 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.125 -0.984 . . . . 2.05 110.385 -178.768 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -83.81 139.93 32.37 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.125 -0.984 . . . . 1.22 111.043 -179.325 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -65.76 -36.28 83.11 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.264 -0.898 . . . . 0.35 110.426 179.4 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -59.81 -38.98 83.51 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.679 -1.263 . . . . 0.86 108.795 -179.75 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.06 -28.9 69.19 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.282 -0.886 . . . . 0.33 108.945 179.289 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.4 tp -58.94 -45.1 91.26 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.117 -0.989 . . . . 0.37 109.256 -179.866 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.403 ' HG3' ' NH1' ' A' ' 50' ' ' ARG . 42.7 ttm-85 -60.02 -40.07 88.03 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.764 -1.21 . . . . 3.24 108.596 179.703 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -64.8 -36.9 85.8 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.605 -0.685 . . . . 0.45 109.402 179.596 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -63.19 -41.58 99.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.376 -0.828 . . . . 0.33 109.577 -179.962 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.41 -41.62 94.3 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.08 -1.013 . . . . 0.44 109.437 179.759 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.886 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.0 mm-40 -73.61 -24.41 60.04 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.516 -0.74 . . . . 2.08 112.274 -179.219 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.456 ' HA ' ' HB2' ' A' ' 59' ' ' ALA . 90.4 mt -100.58 -38.21 8.45 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.987 -1.071 . . . . 0.5 112.023 -178.037 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 17.5 mmm180 -103.19 12.92 35.09 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.987 -1.07 . . . . 2.21 112.277 -177.0 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.3 m-70 -154.5 -65.81 0.13 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.168 -1.582 . . . . 0.67 111.425 179.49 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -81.52 1.42 33.58 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.047 -1.033 . . . . 0.88 110.267 -178.755 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.886 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.183 -0.948 . . . . 1.07 108.859 179.503 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 121.043 0.449 . . . . 0.93 110.217 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -92.53 12.87 21.49 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.422 -0.799 . . . . 2.1 109.423 179.122 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.618 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.9 m170 -81.67 -30.18 0.53 Allowed Pre-proline 0 N--CA 1.497 1.877 0 N-CA-C 113.325 0.861 . . . . 3.25 113.325 -178.509 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 69.0 Cg_exo -52.3 155.18 9.81 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.308 2.006 . . . . 1.0 112.476 -178.864 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.74 174.19 4.83 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.401 2.068 . . . . 1.37 111.909 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.64 10.99 85.88 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.823 -1.311 . . . . 1.3 109.823 -179.996 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.721 ' O ' HG23 ' A' ' 21' ' ' THR . 9.9 t -92.94 86.58 5.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -1.181 . . . . 1.05 109.176 -179.752 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -80.63 153.56 27.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.059 -1.026 . . . . 2.59 109.69 -179.978 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -105.5 70.89 0.22 Allowed Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 122.013 -0.43 . . . . 2.32 110.17 -179.814 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -63.2 135.35 50.15 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.056 1.837 . . . . 0.86 111.106 179.474 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.562 ' HG2' HH11 ' A' ' 25' ' ' ARG . 4.7 mmt-85 -70.04 -5.94 30.1 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.309 -0.869 . . . . 3.74 110.569 -179.212 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.6 m -72.55 -3.88 27.29 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.625 -1.297 . . . . 0.87 109.723 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -106.41 -26.4 11.48 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.246 -0.909 . . . . 1.06 109.167 179.692 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.9 p -106.69 -32.17 8.12 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.47 -0.768 . . . . 0.66 109.531 179.785 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -61.0 -37.67 83.34 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.954 -1.091 . . . . 2.82 108.188 179.051 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.3 m -59.96 -29.91 68.73 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.482 -0.761 . . . . 0.44 109.075 179.3 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -83.38 135.44 34.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.188 -0.945 . . . . 1.3 109.462 179.542 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -116.32 151.48 46.88 Favored Pre-proline 0 N--CA 1.499 2.004 0 N-CA-C 108.303 -0.999 . . . . 2.07 108.303 179.105 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -41.5 157.42 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.058 1.839 . . . . 0.48 111.934 179.396 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.35 130.95 17.82 Favored 'General case' 0 N--CA 1.507 2.396 0 O-C-N 120.872 -1.142 . . . . 0.27 110.97 -179.75 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.3 m -116.93 140.73 49.12 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 121.389 -0.82 . . . . 0.39 110.066 179.163 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.7 t -82.01 123.72 79.59 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.389 -0.819 . . . . 0.42 109.302 179.569 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.4 1.14 7.71 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.413 1.409 . . . . 0.8 112.774 -179.626 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.3 mt -104.97 -46.57 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.052 -1.03 . . . . 0.53 110.316 -179.576 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.9 p -125.63 18.63 8.04 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.47 -0.769 . . . . 0.47 110.255 -179.776 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 52.84 18.31 1.03 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.494 -0.754 . . . . 0.66 111.623 178.527 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.46 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.63 132.07 52.12 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 107.014 -1.476 . . . . 0.38 107.014 178.125 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 t -93.14 113.23 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.758 -1.214 . . . . 0.42 110.185 -178.802 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 34' ' ' ALA . 41.9 mm -108.92 131.39 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 108.186 -1.042 . . . . 0.26 108.186 179.25 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.493 HH11 ' HG2' ' A' ' 44' ' ' ARG . 24.3 mtt-85 -74.62 -59.46 2.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.616 -1.303 . . . . 2.05 110.7 -179.172 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.687 HE22 ' NH2' ' A' ' 47' ' ' ARG . 73.6 mt-30 -81.93 138.19 35.03 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.212 -0.93 . . . . 1.22 110.22 -179.048 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.7 p -66.94 -38.76 86.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.298 -0.876 . . . . 0.35 110.038 -179.464 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.687 ' NH2' HE22 ' A' ' 45' ' ' GLN . 30.6 ptt180 -53.75 -43.67 69.36 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.848 -1.157 . . . . 0.86 108.43 179.494 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.429 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 95.7 m-20 -62.17 -31.75 72.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.512 -0.742 . . . . 0.33 109.802 179.638 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.8 tp -60.11 -42.13 94.08 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 120.999 -1.063 . . . . 0.37 109.4 -179.987 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.561 ' HG2' HH11 ' A' ' 50' ' ' ARG . 19.8 mtt-85 -59.18 -37.4 77.3 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.519 -1.289 . . . . 3.24 107.519 179.585 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -68.25 -37.42 80.75 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.111 -0.7 . . . . 0.45 109.111 178.838 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -62.71 -39.91 95.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.316 -0.865 . . . . 0.33 109.431 179.84 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.58 -43.19 97.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.943 -1.098 . . . . 0.44 110.173 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.704 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 79.9 mm-40 -72.7 -26.8 61.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.002 -1.062 . . . . 2.08 112.12 -178.827 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.0 mt -90.34 -38.77 13.13 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.469 -1.395 . . . . 0.5 112.085 -177.387 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.563 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.6 mmm180 -108.42 8.56 27.52 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.072 -1.017 . . . . 2.21 113.316 -176.911 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 85.2 m-70 -152.56 -69.68 0.16 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 119.943 -1.723 . . . . 0.67 111.38 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -81.54 20.94 0.84 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.18 -0.95 . . . . 0.88 109.724 -178.906 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.43 -0.794 . . . . 1.07 109.222 -179.815 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 121.033 0.444 . . . . 0.93 111.022 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -89.77 18.42 5.6 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 109.166 -0.679 . . . . 2.1 109.166 178.445 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.628 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 27.7 m170 -77.26 -31.14 0.83 Allowed Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.333 -0.854 . . . . 3.25 111.52 -179.322 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.6 Cg_exo -54.16 149.61 35.46 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.605 1.537 . . . . 1.0 111.725 -179.496 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -76.95 171.71 17.48 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.267 1.978 . . . . 1.37 112.864 -179.483 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.56 29.63 47.89 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 110.59 -1.004 . . . . 1.3 110.59 179.589 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.702 ' O ' HG23 ' A' ' 21' ' ' THR . 9.5 t -91.38 90.92 7.9 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.11 -1.229 . . . . 1.05 110.112 179.907 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -84.72 149.24 25.92 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.622 -0.881 . . . . 2.59 108.622 178.89 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -105.21 81.37 0.61 Allowed Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.683 -0.636 . . . . 2.32 109.537 179.858 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.9 136.09 40.26 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.044 1.163 . . . . 0.86 110.778 179.433 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -67.65 -11.13 57.56 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.462 -0.774 . . . . 3.74 110.16 -178.53 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.1 m -72.47 -5.35 36.17 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.98 -1.075 . . . . 0.87 110.639 -179.464 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.5 mmt-85 -102.5 -27.66 12.65 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.09 -1.007 . . . . 1.06 109.836 -179.859 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.2 p -100.52 -30.61 11.7 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.92 -1.113 . . . . 0.66 110.068 -179.219 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -72.93 -30.39 63.85 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.291 -0.88 . . . . 2.82 109.923 178.848 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.2 m -54.9 -32.64 61.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.024 -1.047 . . . . 0.44 109.794 -179.475 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -96.19 151.52 19.42 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.053 -1.029 . . . . 1.3 110.308 -179.851 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -118.08 153.15 51.2 Favored Pre-proline 0 N--CA 1.496 1.857 0 N-CA-C 107.339 -1.356 . . . . 2.07 107.339 178.257 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -47.93 151.25 3.98 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 121.507 1.471 . . . . 0.48 111.297 -179.134 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -141.26 136.4 31.6 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.205 -0.934 . . . . 0.27 110.032 -179.013 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.1 m -114.25 145.12 42.15 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 121.56 0.695 . . . . 0.39 109.473 179.852 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -79.98 129.15 71.39 Favored Pre-proline 0 N--CA 1.492 1.647 0 N-CA-C 108.536 -0.913 . . . . 0.42 108.536 179.259 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.09 -2.0 12.13 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.606 1.537 . . . . 0.8 112.42 -179.252 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.9 mt -102.27 -61.28 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.559 -0.713 . . . . 0.53 110.216 -179.561 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.6 p -110.5 17.51 20.7 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.887 -1.133 . . . . 0.47 110.756 -179.321 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 55.78 16.47 2.03 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.505 -0.747 . . . . 0.66 111.33 178.504 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.78 136.78 56.97 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 107.269 -1.382 . . . . 0.38 107.269 178.402 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 t -94.08 117.82 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.895 -1.128 . . . . 0.42 110.24 -178.686 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.6 mm -113.61 128.16 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 108.115 -1.069 . . . . 0.26 108.115 178.532 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.46 HH11 ' HG2' ' A' ' 44' ' ' ARG . 26.2 mtt-85 -72.37 -59.99 2.45 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.837 -1.164 . . . . 2.05 111.076 -178.101 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -78.04 139.89 39.12 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.031 -1.043 . . . . 1.22 110.079 -179.273 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.4 p -66.38 -36.9 84.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.425 -0.797 . . . . 0.35 109.598 179.699 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.494 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 10.1 ptp180 -58.44 -44.15 89.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.098 -1.002 . . . . 0.86 108.505 -179.827 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.494 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 97.6 m-20 -63.7 -27.28 69.1 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.524 -0.735 . . . . 0.33 109.98 179.733 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.4 tp -59.48 -49.92 75.93 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.619 -1.301 . . . . 0.37 109.186 -179.469 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.441 ' HG3' HH11 ' A' ' 50' ' ' ARG . 31.7 ttm-85 -58.64 -40.32 83.06 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 118.562 -1.255 . . . . 3.24 108.733 -179.062 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -60.89 -38.45 85.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.333 -0.854 . . . . 0.45 109.223 178.802 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -60.8 -35.46 76.53 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.028 -0.73 . . . . 0.33 109.028 179.729 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.6 -44.53 93.35 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.159 -0.963 . . . . 0.44 109.436 179.786 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.669 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.0 mm-40 -72.99 -24.92 60.82 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.195 -0.94 . . . . 2.08 112.446 -179.117 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.3 mt -88.52 -46.38 9.14 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.318 -1.488 . . . . 0.5 112.263 -177.33 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -105.94 17.27 23.89 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 120.934 -1.104 . . . . 2.21 112.627 -176.966 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -152.04 -74.96 0.14 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.204 -1.56 . . . . 0.67 109.956 179.103 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -80.96 18.21 1.06 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.444 -0.785 . . . . 0.88 110.224 -179.297 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.33 -0.856 . . . . 1.07 109.175 179.822 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.735 0 N-CA-C 109.751 -0.463 . . . . 0.93 109.751 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -93.2 15.6 15.0 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.338 -0.851 . . . . 2.1 109.59 179.0 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.639 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 39.2 t-80 -80.34 -31.41 0.64 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.296 -0.877 . . . . 3.25 112.317 -178.45 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 83.1 Cg_exo -51.63 146.33 27.14 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.996 1.797 . . . . 1.0 112.278 -178.628 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.41 174.16 12.26 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.303 2.002 . . . . 1.37 112.373 179.271 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.57 28.87 66.63 Favored Glycine 0 N--CA 1.489 2.208 0 C-N-CA 119.971 -1.109 . . . . 1.3 110.498 179.317 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -90.94 87.73 6.74 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.886 -1.361 . . . . 1.05 109.297 179.872 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -80.25 139.69 36.57 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.338 -0.986 . . . . 2.59 108.338 179.012 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -90.31 112.57 53.44 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.321 -0.862 . . . . 2.32 110.446 -179.238 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -85.78 133.42 4.33 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.076 1.851 . . . . 0.86 111.466 179.207 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -69.05 -10.93 60.04 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.118 -0.989 . . . . 3.74 110.155 -179.498 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -71.43 -6.64 41.81 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.059 -1.025 . . . . 0.87 109.326 179.364 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.562 HH11 ' HG2' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -104.14 -25.53 12.91 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.237 -0.915 . . . . 1.06 109.882 179.67 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -105.11 -35.89 7.46 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.378 -0.826 . . . . 0.66 109.309 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -60.42 -33.84 73.08 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.387 -0.82 . . . . 2.82 108.941 179.581 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -67.64 -22.22 65.33 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.673 -0.642 . . . . 0.44 109.636 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -91.44 138.41 31.6 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.266 -0.896 . . . . 1.3 110.089 -178.859 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -120.28 153.28 55.73 Favored Pre-proline 0 N--CA 1.503 2.208 0 O-C-N 121.52 -0.737 . . . . 2.07 109.1 179.725 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -44.29 151.81 0.5 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.754 1.636 . . . . 0.48 111.639 179.602 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 43' ' ' ILE . . . -147.06 127.58 14.11 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.438 -0.789 . . . . 0.27 109.474 -179.981 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.7 m -110.62 152.56 26.32 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.316 -0.865 . . . . 0.39 109.782 -179.579 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.7 t -87.66 128.63 53.81 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.946 . . . . 0.42 109.325 -179.965 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.34 -0.68 10.36 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 121.4 1.4 . . . . 0.8 113.012 -179.632 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.9 mt -105.65 -60.56 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 121.027 -1.045 . . . . 0.53 111.116 -179.306 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.2 p -108.98 15.27 23.53 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.193 -0.942 . . . . 0.47 110.097 -178.652 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 55.07 20.29 3.19 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.477 -0.765 . . . . 0.66 111.329 179.58 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.588 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.0 135.83 57.75 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.433 -1.321 . . . . 0.38 107.433 178.12 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 t -94.7 113.47 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.939 -1.1 . . . . 0.42 110.349 -178.692 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 34' ' ' ALA . 33.6 mm -110.75 129.89 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 N-CA-C 107.664 -1.236 . . . . 0.26 107.664 177.908 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.566 HH11 ' HG2' ' A' ' 44' ' ' ARG . 19.6 mtt-85 -72.37 -60.13 2.38 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.828 -1.17 . . . . 2.05 110.278 -179.072 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.525 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 86.5 mt-30 -77.97 137.86 38.54 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.918 -1.114 . . . . 1.22 110.691 -179.092 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.5 p -67.82 -37.78 82.41 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.545 -0.722 . . . . 0.35 110.686 -179.718 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.525 ' NH2' ' OE1' ' A' ' 45' ' ' GLN . 26.3 ptt180 -59.92 -38.36 82.13 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.048 -1.032 . . . . 0.86 108.972 -179.437 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.413 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 86.1 m-20 -68.06 -28.49 67.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.232 -0.918 . . . . 0.33 109.204 179.358 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.07 -45.99 91.06 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.371 -0.831 . . . . 0.37 109.662 179.766 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -59.74 -39.17 83.85 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.572 -1.27 . . . . 3.24 107.572 -179.706 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -63.63 -35.47 80.64 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.747 -0.781 . . . . 0.45 108.958 178.534 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -63.48 -35.94 82.13 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.463 -0.773 . . . . 0.33 109.048 -179.959 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.91 -40.95 90.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.44 -0.788 . . . . 0.44 109.223 179.443 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.849 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.3 mm-40 -74.21 -22.97 59.15 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.218 -0.927 . . . . 2.08 111.991 -179.127 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.5 mt -92.67 -44.61 8.47 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 120.545 -1.347 . . . . 0.5 112.522 -178.179 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.526 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 16.4 mmm180 -105.13 16.46 25.77 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.774 -1.204 . . . . 2.21 112.685 -177.251 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.526 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.7 m-70 -152.52 -71.29 0.15 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.28 -1.513 . . . . 0.67 111.145 179.945 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -79.86 9.23 5.52 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.154 -0.966 . . . . 0.88 109.68 -179.12 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.849 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.338 -0.852 . . . . 1.07 109.324 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.48 3.349 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.554 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.731 3.663 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.554 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.089 0 O4'-C1'-N19 110.337 3.171 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.495 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.629 1 O4'-C1'-N19 111.019 4.023 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.495 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.201 0 O4'-C1'-N19 110.899 3.874 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.56 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.962 0 C3'-C2'-C1' 106.978 3.056 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.56 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.849 0 C3'-C2'-C1' 107.168 3.192 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.473 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.97 1 O4'-C1'-N19 111.393 4.491 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.43 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.28 0 O4'-C1'-N19 110.51 3.388 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.577 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.542 3.864 0 C3'-C2'-C1' 107.125 3.16 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.577 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.201 0 O4'-C1'-N19 110.758 3.697 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.758 1 O4'-C1'-N19 111.115 4.144 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O4'-C1'-N19 110.547 3.434 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.406 ' C5 ' ' N4 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.971 1 O4'-C1'-N19 111.305 4.381 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.462 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.384 0 C3'-C2'-C1' 106.906 3.004 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.462 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.662 0 O4'-C1'-N19 110.329 3.162 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.415 ' O2 ' ' NH1' ' A' ' 14' ' ' ARG . . . . . . . . 1 C5'--C4' 1.544 4.125 1 O4'-C1'-N19 111.871 5.089 . . . . 1.95 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.452 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.925 0 O4'-C1'-N19 110.864 3.83 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.452 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.395 1 O4'-C1'-N19 111.095 4.118 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.544 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.955 1 O4'-C1'-N19 111.362 4.453 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.544 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.44 0 O4'-C1'-N19 110.855 3.818 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 0 O4'-C1'-N19 110.645 3.557 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 N--CA 1.494 1.509 0 CA-C-O 121.241 0.434 . . . . 7.56 112.15 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -79.43 151.32 30.95 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.483 -0.932 . . . . 7.46 108.483 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.67 154.81 37.83 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.066 -1.022 . . . . 4.04 109.663 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -79.77 163.07 24.74 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.265 -0.897 . . . . 4.49 109.298 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.415 ' NH1' ' O2 ' ' C' ' 117' ' ' ' DC' . 87.4 mtt180 -81.82 93.54 6.88 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.083 -1.01 . . . . 0.79 109.651 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.28 131.39 44.03 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.368 -0.832 . . . . 0.93 109.868 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -92.14 11.68 24.7 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 107.94 -1.133 . . . . 2.1 107.94 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.602 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 8.4 t-80 -82.16 -31.59 0.56 Allowed Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.492 -0.755 . . . . 3.25 112.912 -177.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.9 Cg_exo -53.15 154.23 14.43 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.861 1.707 . . . . 1.0 112.158 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.72 164.67 34.65 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.448 2.099 . . . . 1.37 112.467 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.28 37.73 47.58 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 109.509 -1.437 . . . . 1.3 109.509 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 21' ' ' THR . 11.0 t -93.29 85.38 4.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.113 -1.227 . . . . 1.05 108.555 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -81.79 144.36 31.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.943 -1.098 . . . . 2.59 109.286 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -106.67 76.61 0.44 Allowed Pre-proline 0 N--CA 1.495 1.775 0 O-C-N 121.522 -0.736 . . . . 2.32 110.211 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.35 142.71 41.7 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.849 1.7 . . . . 0.86 111.679 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -73.53 -5.85 42.77 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.43 -0.794 . . . . 3.74 109.545 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 m -66.77 -1.87 4.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.036 -1.04 . . . . 0.87 109.194 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.473 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 28.5 mmt180 -105.7 -27.76 11.12 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.159 -0.963 . . . . 1.06 109.07 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.1 p -101.66 -35.05 9.24 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.484 -0.76 . . . . 0.66 109.049 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -59.55 -39.48 84.13 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.504 -0.747 . . . . 2.82 109.813 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.6 m -60.18 -29.76 68.9 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.232 -0.918 . . . . 0.44 111.28 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.452 ' CG ' HH21 ' A' ' 47' ' ' ARG . 81.2 mm-40 -95.15 145.4 25.04 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.86 -1.15 . . . . 1.3 110.185 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -119.05 151.72 50.93 Favored Pre-proline 0 N--CA 1.5 2.04 0 N-CA-C 108.33 -0.989 . . . . 2.07 108.33 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -38.93 156.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.159 0 C-N-CA 121.865 1.71 . . . . 0.48 112.04 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.503 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -147.49 135.99 21.77 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.181 -0.949 . . . . 0.27 110.035 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 m -116.4 149.65 39.06 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.706 -0.621 . . . . 0.39 109.524 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.2 t -88.11 127.24 58.17 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 121.311 -0.868 . . . . 0.42 108.669 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.15 -6.17 17.62 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 121.111 1.208 . . . . 0.8 111.911 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.8 mt -97.2 -55.92 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.236 -0.915 . . . . 0.53 111.118 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.9 p -115.63 15.64 16.54 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.327 -0.858 . . . . 0.47 109.891 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 55.3 19.98 3.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.503 -0.748 . . . . 0.66 111.054 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.606 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.33 140.04 57.33 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.332 -1.359 . . . . 0.38 107.332 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.63 111.62 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 O-C-N 120.848 -1.157 . . . . 0.42 110.988 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.0 mm -109.62 129.99 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 N-CA-C 107.758 -1.201 . . . . 0.26 107.758 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -70.86 -56.39 6.4 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.914 -1.116 . . . . 2.05 111.281 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.46 133.22 35.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.331 -0.856 . . . . 1.22 111.032 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -61.99 -36.97 83.1 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.359 -0.838 . . . . 0.35 109.669 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.5 ptp180 -60.17 -43.04 96.15 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.586 -1.321 . . . . 0.86 108.756 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.459 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 96.2 m-20 -64.49 -28.68 69.82 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.325 -0.859 . . . . 0.33 109.381 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.503 HD22 ' HB1' ' A' ' 34' ' ' ALA . 54.5 tp -59.44 -45.33 91.88 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.836 -1.165 . . . . 0.37 109.342 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -58.29 -41.97 85.54 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.983 -1.073 . . . . 3.24 109.196 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 40.8 ttp180 -62.05 -37.37 84.71 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.404 -0.81 . . . . 0.45 109.33 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -61.39 -32.87 72.81 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.238 -0.914 . . . . 0.33 108.923 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.7 mt -60.01 -49.26 78.38 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.085 -1.009 . . . . 0.44 109.115 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.637 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 14.6 mp0 -70.45 -24.42 62.88 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.085 -1.009 . . . . 2.08 111.05 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.26 -59.66 2.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.657 -1.277 . . . . 0.5 111.681 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 18.8 mmm180 -103.53 21.03 16.8 Favored 'General case' 0 N--CA 1.511 2.622 0 O-C-N 120.673 -1.267 . . . . 2.21 113.156 -177.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 91.8 m-70 -150.9 -73.26 0.16 Allowed 'General case' 0 N--CA 1.509 2.486 0 O-C-N 119.964 -1.71 . . . . 0.67 110.6 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -84.13 25.16 0.86 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.105 -0.997 . . . . 0.88 110.031 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -72.17 2.67 5.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.421 -0.8 . . . . 1.07 109.83 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -86.82 156.55 55.44 Favored Pre-proline 0 N--CA 1.499 2.023 0 O-C-N 121.073 -1.017 . . . . 3.65 109.6 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -48.61 138.23 25.32 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 121.754 1.636 . . . . 2.33 111.988 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.51 0.76 74.67 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.661 -1.376 . . . . 3.27 109.661 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.6 t . . . . . 0 N--CA 1.497 1.899 0 O-C-N 121.509 -0.995 . . . . 5.18 109.841 -179.373 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.784 0 O4'-C1'-N19 110.509 3.386 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.487 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.675 0 O4'-C1'-N19 110.617 3.521 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.487 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.772 0 O4'-C1'-N19 110.874 3.843 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.308 0 O4'-C1'-N19 110.787 3.733 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.483 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.532 2.61 1 O4'-C1'-N19 112.082 5.352 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.546 ' N2 ' ' C2 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.782 0 C3'-C2'-C1' 107.034 3.096 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.546 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.979 0 O4'-C1'-N19 110.512 3.39 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.437 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.847 1 O4'-C1'-N19 111.806 5.008 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.694 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.304 0 C3'-C2'-C1' 106.841 2.958 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.694 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.267 0 O4'-C1'-N19 110.433 3.291 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.523 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.969 0 O4'-C1'-N19 110.949 3.937 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 1 O4'-C1'-N19 111.047 4.059 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.578 0 O4'-C1'-N19 110.412 3.265 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.546 H2'' " O5'" ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.901 0 C3'-C2'-C1' 106.938 3.027 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.546 " O5'" H2'' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.714 0 C3'-C2'-C1' 106.702 2.859 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.493 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.12 0 O4'-C1'-N19 110.612 3.515 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.493 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.037 1 O4'-C1'-N19 111.044 4.055 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.199 1 O4'-C1'-N19 111.336 4.42 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.521 3.401 . . . . 0.64 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.446 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.043 0 O4'-C1'-N19 110.911 3.889 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.453 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.566 0 O4'-C1'-N19 110.459 3.323 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . 0.453 " O5'" H2'' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.556 0 O4'-C1'-N19 110.834 3.793 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo . . . . . 0 N--CA 1.495 1.604 0 CA-C-O 121.043 0.351 . . . . 7.56 111.991 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -151.86 -2.35 0.29 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.308 -0.87 . . . . 7.46 109.22 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.7 108.33 4.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.115 -0.99 . . . . 4.04 109.216 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -80.35 -130.0 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.758 -0.83 . . . . 4.49 108.758 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.408 ' NH1' ' HG2' ' A' ' 14' ' ' ARG . 7.7 mtt-85 -83.5 94.25 7.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.902 . . . . 0.79 108.789 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.86 133.24 36.27 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.553 -0.717 . . . . 0.93 110.735 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -90.44 3.36 54.07 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 109.01 -0.737 . . . . 2.1 109.01 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.578 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 14.2 m-70 -74.71 -30.79 1.08 Allowed Pre-proline 0 N--CA 1.498 1.951 0 O-C-N 121.172 -0.955 . . . . 3.25 113.419 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 63.5 Cg_exo -54.0 144.84 55.2 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 121.493 1.462 . . . . 1.0 112.402 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.99 171.37 18.09 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.46 2.107 . . . . 1.37 112.326 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.18 27.7 65.66 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 110.194 -1.162 . . . . 1.3 110.194 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.76 HG23 ' O ' ' A' ' 21' ' ' THR . 9.8 t -89.72 90.93 8.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.184 -1.186 . . . . 1.05 108.663 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -78.93 140.79 37.99 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.036 -1.04 . . . . 2.59 109.419 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -106.26 74.03 0.32 Allowed Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.711 -0.618 . . . . 2.32 109.715 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.42 148.4 87.99 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 121.675 1.583 . . . . 0.86 111.015 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' A' ' 25' ' ' ARG . 41.9 mtt-85 -71.08 -6.36 38.58 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.655 -1.278 . . . . 3.74 110.522 -178.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 m -74.01 -0.75 17.32 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.028 -1.045 . . . . 0.87 109.691 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.437 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 30.0 mmt180 -102.78 -29.1 11.69 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.095 -1.003 . . . . 1.06 110.841 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 p -105.63 -39.69 6.0 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.071 -1.018 . . . . 0.66 110.347 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -64.14 -28.75 69.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.006 -1.059 . . . . 2.82 109.746 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.487 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 48.3 m -59.02 -30.0 67.68 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.322 -0.861 . . . . 0.44 109.582 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -95.95 142.67 27.91 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.299 -1.0 . . . . 1.3 108.299 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.487 ' OE1' ' O ' ' A' ' 30' ' ' SER . 3.7 mp0 -113.25 150.52 43.17 Favored Pre-proline 0 N--CA 1.501 2.077 0 N-CA-C 108.935 -0.765 . . . . 2.07 108.935 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -39.79 154.39 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.16 0 C-N-CA 121.89 1.727 . . . . 0.48 112.081 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.93 132.85 21.27 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.146 -0.972 . . . . 0.27 110.649 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 36' ' ' CYS . 29.5 m -112.7 159.78 18.58 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.98 -0.748 . . . . 0.39 108.98 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' TYR . 7.5 t -106.6 103.09 44.94 Favored Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.242 -0.911 . . . . 0.42 110.448 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -54.49 -4.09 0.29 Allowed 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.057 1.838 . . . . 0.8 113.551 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -97.43 -53.66 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 120.755 -1.215 . . . . 0.53 110.251 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.5 p -118.27 12.11 13.34 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-O 121.833 0.825 . . . . 0.47 108.848 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' CYS . 80.3 m-85 55.31 19.17 2.86 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 116.122 -0.49 . . . . 0.66 110.725 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.596 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.49 140.28 54.26 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.799 -1.188 . . . . 0.38 107.901 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -95.19 114.54 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.199 -0.938 . . . . 0.42 109.65 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 34' ' ' ALA . 30.1 mm -110.93 129.05 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 107.002 -1.481 . . . . 0.26 107.002 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -74.13 -62.96 1.33 Allowed 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 117.931 -1.507 . . . . 2.05 109.652 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.483 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 88.8 mt-30 -76.25 138.33 40.51 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.276 -0.89 . . . . 1.22 110.915 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.6 p -68.1 -35.13 77.65 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.406 -0.809 . . . . 0.35 110.57 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 12.6 ptp180 -58.95 -39.75 82.61 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.817 -1.177 . . . . 0.86 108.179 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 97.9 m-20 -64.77 -31.37 72.57 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.609 -0.682 . . . . 0.33 109.332 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.35 -43.04 88.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.37 108.927 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -59.41 -40.69 87.48 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.295 -1.002 . . . . 3.24 108.295 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -67.42 -36.4 81.17 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.964 -0.694 . . . . 0.45 109.479 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -65.7 -38.72 89.99 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.564 -0.71 . . . . 0.33 109.833 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' PHE . 94.0 mt -59.67 -41.67 91.14 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.002 -1.061 . . . . 0.44 109.376 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.756 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 70.1 mm-40 -73.27 -24.72 60.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.408 -0.807 . . . . 2.08 111.715 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.3 mt -85.69 -42.92 13.85 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.431 -1.418 . . . . 0.5 113.093 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.563 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.7 mmm180 -107.15 -0.29 22.88 Favored 'General case' 0 N--CA 1.506 2.351 0 O-C-N 120.858 -1.152 . . . . 2.21 112.725 -176.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 32.6 m-70 -145.64 -65.73 0.31 Allowed 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.536 -1.352 . . . . 0.67 111.532 -178.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' LEU . 54.0 m-85 -81.97 20.08 1.04 Allowed 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.004 -1.06 . . . . 0.88 110.24 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -70.96 2.39 4.43 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 107.929 -1.137 . . . . 1.07 107.929 178.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 58' ' ' PHE . 8.8 mtpm? -88.88 154.71 50.13 Favored Pre-proline 0 N--CA 1.488 1.455 0 N-CA-C 108.777 -0.823 . . . . 3.65 108.777 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -46.36 155.35 0.71 Allowed 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.931 1.754 . . . . 2.33 112.263 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -45.92 117.12 2.44 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 110.79 -0.924 . . . . 3.27 110.79 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.425 -1.044 . . . . 5.18 109.867 179.858 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.442 0 O4'-C1'-N19 110.528 3.41 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.631 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.775 0 O4'-C1'-N19 110.6 3.5 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.631 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.825 0 O4'-C1'-N19 110.772 3.716 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.04 0 O4'-C1'-N19 110.966 3.958 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 1 O4'-C1'-N19 111.395 4.494 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 O4'-C1'-N19 110.346 3.183 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.52 ' OP1' ' N ' ' A' ' 22' ' ' GLU . . . . . . . . 0 C5'--C4' 1.531 2.491 0 O4'-C1'-N19 110.852 3.815 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.477 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.447 1 O4'-C1'-N19 111.541 4.677 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.469 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.079 0 O4'-C1'-N19 110.772 3.716 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.469 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.259 0 O4'-C1'-N19 110.561 3.452 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.484 1 O4'-C1'-N19 111.14 4.175 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.319 1 O4'-C1'-N19 111.033 4.041 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.283 0 C3'-C2'-C1' 107.086 3.133 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.537 ' C5 ' ' C4 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.96 3.95 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.537 ' C4 ' ' C5 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.066 0 O4'-C1'-N19 110.636 3.545 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.584 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.657 0 O4'-C1'-N19 110.615 3.519 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.584 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.715 1 O4'-C1'-N19 111.14 4.176 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.426 1 O4'-C1'-N19 111.06 4.075 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O4'-C1'-N19 110.775 3.719 . . . . 0.64 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.597 1 O4'-C1'-N19 111.069 4.087 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.259 1 O4'-C1'-N19 111.171 4.213 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.763 0 C3'-C2'-C1' 106.997 3.069 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo . . . . . 0 N--CA 1.492 1.396 0 CA-C-O 120.92 0.3 . . . . 7.56 111.657 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -79.69 158.16 27.03 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.71 -1.244 . . . . 7.46 109.264 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.49 4.93 0.11 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.311 -0.868 . . . . 4.04 108.853 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -81.54 155.91 25.51 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.556 -0.715 . . . . 4.49 109.483 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -80.14 96.48 6.54 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.214 -0.929 . . . . 0.79 108.758 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.2 132.69 37.12 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.652 -0.655 . . . . 0.93 110.102 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -95.12 9.21 40.46 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.333 -0.855 . . . . 2.1 108.925 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.6 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 14.0 m-70 -84.03 -31.8 0.49 Allowed Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.479 -0.763 . . . . 3.25 112.886 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 61.4 Cg_exo -52.31 139.24 54.85 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 121.695 1.596 . . . . 1.0 112.177 -178.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.79 177.95 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.11 1.207 . . . . 1.37 111.54 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.98 26.09 69.79 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 120.178 -1.011 . . . . 1.3 110.976 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 21' ' ' THR . 14.6 t -90.93 97.53 11.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.76 -1.435 . . . . 1.05 109.218 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.52 ' N ' ' OP1' ' B' ' 107' ' ' ' DA' . 72.6 mm-40 -82.25 149.7 27.7 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.277 -0.89 . . . . 2.59 109.964 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -107.07 76.03 0.45 Allowed Pre-proline 0 N--CA 1.505 2.275 0 O-C-N 121.354 -0.841 . . . . 2.32 110.025 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -74.38 134.84 19.49 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.879 1.72 . . . . 0.86 112.726 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -74.92 -14.41 60.64 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.394 -0.816 . . . . 3.74 109.325 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.7 m -71.78 -11.65 60.92 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.885 -1.134 . . . . 0.87 110.889 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.477 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 1.1 mmt-85 -95.64 -13.57 24.2 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.808 -1.183 . . . . 1.06 111.493 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 p -108.96 -43.46 4.2 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.034 -1.041 . . . . 0.66 109.112 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -62.3 -36.56 82.51 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 121.21 0.529 . . . . 2.82 110.904 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.449 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 52.4 m -52.58 -31.86 38.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.348 -0.845 . . . . 0.44 110.301 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -95.74 142.18 28.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.227 -0.921 . . . . 1.3 109.183 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.559 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 3.7 mp0 -115.2 152.82 47.16 Favored Pre-proline 0 N--CA 1.502 2.164 0 N-CA-C 108.627 -0.879 . . . . 2.07 108.627 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -40.12 154.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.149 0 C-N-CA 121.737 1.624 . . . . 0.48 112.135 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -148.18 140.18 24.01 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.152 -0.967 . . . . 0.27 110.796 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 36' ' ' CYS . 88.2 m -116.24 164.72 14.08 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.317 -0.623 . . . . 0.39 109.317 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.581 ' N ' HG22 ' A' ' 35' ' ' THR . 1.8 t -106.1 103.67 46.04 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.534 -0.729 . . . . 0.42 109.238 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -54.1 -4.59 0.28 Allowed 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.959 1.773 . . . . 0.8 113.258 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.1 mt -97.07 -55.27 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 120.794 -1.191 . . . . 0.53 110.254 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.7 p -117.36 12.45 14.27 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.224 -0.922 . . . . 0.47 108.74 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' CYS . 95.9 m-85 55.9 22.25 5.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.858 -0.526 . . . . 0.66 111.265 178.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.58 141.6 54.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.459 -1.4 . . . . 0.38 107.397 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.59 109.52 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.038 -1.039 . . . . 0.42 109.68 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' ALA . 28.2 mm -109.94 130.17 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 N-CA-C 108.095 -1.076 . . . . 0.26 108.095 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 44' ' ' ARG . 20.3 mtt-85 -73.39 -63.51 1.18 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.875 -1.14 . . . . 2.05 111.389 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -78.39 133.51 37.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.98 -1.075 . . . . 1.22 109.7 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.7 p -63.35 -31.12 72.19 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.357 -0.84 . . . . 0.35 110.319 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.7 ptp180 -60.88 -41.61 96.34 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.92 -1.113 . . . . 0.86 108.658 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.454 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 96.4 m-20 -65.45 -30.07 70.82 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.595 -0.691 . . . . 0.33 109.564 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.0 tp -57.76 -47.18 83.24 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 119.06 -1.056 . . . . 0.37 108.792 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -56.34 -42.24 77.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.888 -1.132 . . . . 3.24 108.091 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -62.96 -39.03 93.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.506 -0.746 . . . . 0.45 109.078 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -61.81 -38.37 87.88 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.342 -0.849 . . . . 0.33 109.71 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' PHE . 90.3 mt -59.64 -42.19 92.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.04 -1.038 . . . . 0.44 109.445 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.62 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 96.2 mt-10 -72.04 -29.37 64.1 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.32 -0.863 . . . . 2.08 111.534 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.0 mt -87.63 -14.75 39.19 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.754 -1.216 . . . . 0.5 112.103 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.575 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 24.0 mmm180 -134.59 -1.59 2.79 Favored 'General case' 0 N--CA 1.507 2.424 0 O-C-N 120.591 -1.318 . . . . 2.21 112.373 -178.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 44.7 m-70 -148.18 -60.06 0.25 Allowed 'General case' 0 N--CA 1.507 2.387 0 O-C-N 120.326 -1.484 . . . . 0.67 110.488 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 53' ' ' LEU . 30.4 m-85 -80.11 18.08 0.91 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.656 -1.277 . . . . 0.88 108.957 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.02 3.73 3.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.595 -0.691 . . . . 1.07 110.35 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -85.72 146.33 43.58 Favored Pre-proline 0 N--CA 1.495 1.808 0 O-C-N 120.988 -1.07 . . . . 3.65 109.649 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.61 163.88 35.2 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.374 2.049 . . . . 2.33 112.475 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.24 -80.72 0.06 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.82 -1.312 . . . . 3.27 109.82 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 117.89 -1.053 . . . . 5.18 109.473 -179.646 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.823 0 C3'-C2'-C1' 106.982 3.059 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.612 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.937 0 C3'-C2'-C1' 106.988 3.063 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.612 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.426 0 O4'-C1'-N19 110.775 3.718 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.568 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.344 0 O4'-C1'-N19 110.803 3.753 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.441 ' C2 ' ' C2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.259 1 O4'-C1'-N19 111.747 4.934 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.403 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.504 3.38 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.403 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.084 0 O4'-C1'-N19 110.528 3.41 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.432 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.321 1 O4'-C1'-N19 111.139 4.174 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.579 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.645 0 C3'-C2'-C1' 107.173 3.195 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.579 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.376 0 O4'-C1'-N19 110.554 3.442 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.527 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.901 1 O4'-C1'-N19 111.373 4.467 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.315 1 O4'-C1'-N19 111.032 4.04 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.43 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.449 0 C3'-C2'-C1' 106.931 3.022 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.43 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.132 1 O4'-C1'-N19 111.238 4.297 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.563 0 O4'-C1'-N19 110.39 3.237 . . . . 0.53 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.47 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.941 0 O4'-C1'-N19 110.633 3.542 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.532 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.621 1 O4'-C1'-N19 111.177 4.221 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.532 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.399 1 O4'-C1'-N19 111.9 5.125 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.112 1 O4'-C1'-N19 111.297 4.371 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.683 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.937 1 O4'-C1'-N19 111.274 4.342 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.683 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.8 0 O4'-C1'-N19 110.934 3.917 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.732 0 O4'-C1'-N19 110.653 3.567 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo . . . . . 0 N--CA 1.487 1.139 0 CA-C-O 121.229 0.429 . . . . 7.56 111.919 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.09 150.21 26.43 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.142 -0.974 . . . . 7.46 109.392 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.88 150.76 46.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.926 -1.109 . . . . 4.04 108.667 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -86.51 -73.99 0.44 Allowed 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.957 -1.127 . . . . 4.49 107.957 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -91.88 93.39 8.8 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 121.746 0.784 . . . . 0.79 108.99 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.36 132.11 37.01 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.709 0.766 . . . . 0.93 110.485 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -95.51 3.96 53.67 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.516 -0.74 . . . . 2.1 109.422 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.618 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 28.9 m170 -81.35 -30.58 0.55 Allowed Pre-proline 0 N--CA 1.496 1.845 0 O-C-N 121.087 -1.008 . . . . 3.25 112.811 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 71.8 Cg_exo -49.93 149.67 10.97 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 121.827 1.684 . . . . 1.0 112.308 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.22 166.84 28.88 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.105 1.87 . . . . 1.37 112.566 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.22 23.61 68.06 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 110.274 -1.13 . . . . 1.3 110.274 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 21' ' ' THR . 12.2 t -89.36 94.12 9.78 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.786 -1.42 . . . . 1.05 108.71 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -78.42 142.35 37.63 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.03 -1.044 . . . . 2.59 108.892 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -104.44 71.03 0.18 Allowed Pre-proline 0 N--CA 1.499 1.991 0 O-C-N 121.462 -0.774 . . . . 2.32 109.66 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.05 136.36 56.06 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.46 1.44 . . . . 0.86 111.038 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -69.26 -10.94 60.17 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.032 -0.729 . . . . 3.74 109.032 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.2 m -69.0 -6.25 26.67 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.288 -0.882 . . . . 0.87 109.599 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 31.8 mmt-85 -98.98 -21.51 16.21 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.181 -0.949 . . . . 1.06 110.508 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.2 p -108.62 -32.69 7.27 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.039 -1.038 . . . . 0.66 109.537 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.27 -37.72 81.33 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.255 -0.903 . . . . 2.82 109.506 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.5 m -54.08 -33.28 57.13 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.504 -0.878 . . . . 0.44 109.64 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HG3' HH21 ' A' ' 47' ' ' ARG . 74.9 mm-40 -96.53 137.57 35.41 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.775 -1.203 . . . . 1.3 110.059 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -115.6 152.54 47.32 Favored Pre-proline 0 N--CA 1.495 1.781 0 N-CA-C 108.987 -0.746 . . . . 2.07 108.987 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -34.64 152.72 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.32 0 C-N-CA 122.552 2.168 . . . . 0.48 112.66 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -145.98 132.39 19.66 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.125 -0.984 . . . . 0.27 110.065 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.8 m -115.61 144.58 43.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.488 -0.758 . . . . 0.39 109.828 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.1 t -85.14 126.36 67.76 Favored Pre-proline 0 C--N 1.299 -1.611 0 N-CA-C 108.159 -1.052 . . . . 0.42 108.159 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.23 -1.34 11.52 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 120.814 1.009 . . . . 0.8 112.59 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.3 mt -99.87 -40.42 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.187 -0.946 . . . . 0.53 110.385 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.7 p -132.28 20.98 4.4 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.316 -0.865 . . . . 0.47 109.796 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 48.43 20.97 0.34 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.601 -0.687 . . . . 0.66 111.372 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.553 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -61.4 139.94 58.11 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.612 -1.625 . . . . 0.38 106.612 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.74 114.32 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.805 -1.184 . . . . 0.42 110.143 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' ALA . 36.1 mm -109.63 127.46 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.594 -1.261 . . . . 0.26 107.594 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -72.56 -59.66 2.61 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.179 -1.008 . . . . 2.05 109.62 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -79.56 137.57 37.2 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.138 -1.025 . . . . 1.22 110.267 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 p -66.28 -39.24 89.27 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.458 0.647 . . . . 0.35 109.683 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.451 HH21 ' HG3' ' A' ' 31' ' ' GLU . 10.1 ptp180 -54.94 -39.85 69.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.858 -1.151 . . . . 0.86 109.678 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.5 m-20 -67.53 -29.7 69.17 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.225 -0.922 . . . . 0.33 109.219 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.8 tp -57.4 -44.0 84.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.31 -0.869 . . . . 0.37 108.902 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -59.98 -39.43 85.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.101 -0.999 . . . . 3.24 108.57 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 44.0 ttp180 -69.48 -36.54 76.62 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.485 -0.759 . . . . 0.45 109.571 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -59.95 -39.66 86.34 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.932 . . . . 0.33 109.16 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.98 -39.87 96.02 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.991 -1.068 . . . . 0.44 110.329 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.785 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 76.9 mm-40 -74.48 -26.95 60.34 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.548 -0.72 . . . . 2.08 112.042 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.9 mt -95.51 -36.86 11.13 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.967 -1.083 . . . . 0.5 112.157 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' HG3' HH11 ' A' ' 56' ' ' ARG . 17.6 mmm-85 -105.47 8.29 33.42 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.78 -1.2 . . . . 2.21 113.02 -177.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -150.87 -69.26 0.18 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.116 -1.615 . . . . 0.67 110.722 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -80.22 12.09 3.11 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.591 -0.693 . . . . 0.88 109.791 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.785 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -73.78 -5.93 43.83 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 119.682 -0.807 . . . . 1.07 109.563 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -90.78 148.78 39.12 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 121.083 -1.011 . . . . 3.65 109.399 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.437 ' O ' ' O ' ' A' ' 62' ' ' GLY . 73.0 Cg_endo -73.71 166.74 28.98 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.181 1.921 . . . . 2.33 112.201 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 61' ' ' PRO . . . -61.67 -124.91 0.01 OUTLIER Glycine 0 N--CA 1.485 1.925 0 N-CA-C 109.754 -1.338 . . . . 3.27 109.754 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 117.734 -1.127 . . . . 5.18 108.645 -179.849 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.592 0 O4'-C1'-N19 110.688 3.61 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.6 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.337 3.172 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.6 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.268 0 O4'-C1'-N19 110.957 3.947 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 0 O4'-C1'-N19 110.574 3.467 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.42 ' C8 ' ' NE2' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.538 3.329 1 O4'-C1'-N19 111.199 4.248 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.2 0 O4'-C1'-N19 110.204 3.005 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.491 ' N3 ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.216 0 O4'-C1'-N19 110.698 3.622 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.486 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.989 1 O4'-C1'-N19 111.072 4.09 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.497 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.794 3.742 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.562 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.428 0 C3'-C2'-C1' 106.987 3.062 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.562 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.73 0 O4'-C1'-N19 110.599 3.499 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . 0.455 ' H8 ' HO5' ' C' ' 112' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.189 0 O4'-C1'-N19 110.432 3.29 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.484 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.621 0 O4'-C1'-N19 110.402 3.253 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.484 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.769 3.711 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.707 0 O4'-C1'-N19 110.43 3.287 . . . . 0.53 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.923 0 O4'-C1'-N19 110.298 3.123 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.517 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.353 0 O4'-C1'-N19 110.975 3.969 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.517 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.175 1 O4'-C1'-N19 111.11 4.138 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.396 1 O4'-C1'-N19 111.5 4.625 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.522 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.401 1 O4'-C1'-N19 111.255 4.318 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.522 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.598 0 O4'-C1'-N19 110.784 3.729 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.09 0 C3'-C2'-C1' 107.108 3.149 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo . . . . . 0 N--CA 1.493 1.444 0 CA-C-O 121.066 0.361 . . . . 7.56 112.551 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -77.4 139.78 39.77 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.166 -0.959 . . . . 7.46 110.173 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.07 174.08 5.83 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.323 -0.861 . . . . 4.04 110.492 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -140.93 154.53 46.13 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.437 -0.949 . . . . 4.49 108.437 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.491 ' NH2' ' N3 ' ' B' ' 107' ' ' ' DA' . 28.9 mtp180 -88.19 93.47 9.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.083 -1.011 . . . . 0.79 109.748 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.32 118.81 35.81 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.389 -0.82 . . . . 0.93 110.386 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -89.66 8.93 29.01 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.409 -0.959 . . . . 2.1 108.409 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.512 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 34.8 m80 -79.76 -47.99 1.43 Allowed Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.597 -0.69 . . . . 3.25 112.563 -178.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 17' ' ' HIS . 13.2 Cg_endo -55.79 151.69 39.0 Favored 'Trans proline' 0 N--CA 1.488 1.173 0 CA-C-N 120.441 1.193 . . . . 1.0 111.783 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.76 -178.53 0.74 Allowed 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.489 2.126 . . . . 1.37 112.213 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.22 20.01 68.14 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 120.565 -0.826 . . . . 1.3 111.298 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.96 93.55 8.42 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.914 -1.345 . . . . 1.05 109.269 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -78.08 147.0 34.9 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.517 -0.74 . . . . 2.59 109.359 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -106.9 74.04 0.36 Allowed Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.428 -0.795 . . . . 2.32 109.942 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.03 135.82 30.76 Favored 'Trans proline' 0 N--CA 1.488 1.19 0 C-N-CA 121.083 1.189 . . . . 0.86 109.785 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -69.49 -12.65 61.83 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.288 -0.882 . . . . 3.74 109.903 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.5 m -68.41 -4.9 16.33 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.386 -0.821 . . . . 0.87 109.839 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.486 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 5.4 mmt-85 -101.52 -25.71 13.81 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.162 -0.961 . . . . 1.06 110.327 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 p -108.17 -41.54 4.88 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.415 -0.803 . . . . 0.66 109.587 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.98 -30.31 69.03 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.58 -0.7 . . . . 2.82 109.676 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.6 m -61.22 -28.57 69.25 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.265 -0.897 . . . . 0.44 109.5 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' CD ' HH21 ' A' ' 47' ' ' ARG . 69.4 mm-40 -93.38 138.79 31.37 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.174 -0.954 . . . . 1.3 109.658 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -113.81 150.31 43.2 Favored Pre-proline 0 N--CA 1.5 2.047 0 N-CA-C 108.131 -1.063 . . . . 2.07 108.131 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -38.3 156.31 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.351 2.034 . . . . 0.48 113.153 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -147.58 131.08 16.72 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.284 -0.885 . . . . 0.27 110.257 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 36' ' ' CYS . 49.4 m -110.81 164.53 12.68 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.319 -0.863 . . . . 0.39 109.75 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.522 ' N ' HG22 ' A' ' 35' ' ' THR . 4.1 t -106.02 101.58 34.65 Favored Pre-proline 0 N--CA 1.499 1.994 0 N-CA-C 109.178 -0.675 . . . . 0.42 109.178 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -56.3 0.46 0.17 Allowed 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.599 1.533 . . . . 0.8 112.471 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.425 ' H ' ' C ' ' A' ' 36' ' ' CYS . 5.9 mt -97.72 -61.63 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 120.87 -1.143 . . . . 0.53 109.926 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.9 p -113.11 13.59 19.36 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.461 -0.774 . . . . 0.47 109.116 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 56.86 21.09 5.74 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.881 -0.512 . . . . 0.66 110.885 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.536 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.06 137.06 58.18 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.07 -1.455 . . . . 0.38 107.07 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -95.54 114.89 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.17 -0.956 . . . . 0.42 110.193 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' ALA . 38.3 mm -113.88 128.49 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 N-CA-C 108.287 -1.005 . . . . 0.26 108.287 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' A' ' 44' ' ' ARG . 18.7 mtt-85 -70.67 -56.91 5.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.853 -1.155 . . . . 2.05 110.883 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.552 ' NE2' ' ND2' ' A' ' 48' ' ' ASN . 37.2 mt-30 -82.49 133.89 35.2 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.052 -1.03 . . . . 1.22 111.074 -177.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.3 p -63.35 -37.33 86.85 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.364 -0.835 . . . . 0.35 110.016 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.449 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.0 ptp180 -59.74 -41.94 92.08 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.971 -1.081 . . . . 0.86 108.296 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.552 ' ND2' ' NE2' ' A' ' 45' ' ' GLN . 98.5 m-20 -63.0 -32.09 73.37 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.576 -0.703 . . . . 0.33 109.577 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.6 tp -56.58 -45.46 81.33 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.545 -1.347 . . . . 0.37 109.149 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -58.21 -40.88 82.77 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 118.924 -1.11 . . . . 3.24 108.103 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -60.98 -39.59 90.2 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.744 -0.836 . . . . 0.45 108.744 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -62.61 -36.28 82.26 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.271 -0.893 . . . . 0.33 110.13 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.89 -43.47 98.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.8 -1.188 . . . . 0.44 109.22 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.708 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 76.3 mt-10 -75.84 -19.01 59.24 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.05 -1.031 . . . . 2.08 111.824 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.0 mt -91.31 -47.25 7.59 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.375 -1.453 . . . . 0.5 112.11 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.442 ' HG3' HH11 ' A' ' 56' ' ' ARG . 21.4 mmm-85 -107.03 15.81 24.89 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.935 -1.103 . . . . 2.21 112.514 -176.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.41 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 97.7 m-70 -150.76 -71.84 0.17 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.257 -1.527 . . . . 0.67 110.867 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.501 ' C ' ' H ' ' A' ' 60' ' ' LYS . 85.8 m-85 -81.84 12.62 3.85 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.097 -1.002 . . . . 0.88 109.278 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -68.98 16.76 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.498 -0.751 . . . . 1.07 110.158 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' A' ' 58' ' ' PHE . 42.7 mtmt -85.04 147.34 47.69 Favored Pre-proline 0 C--N 1.299 -1.602 0 O-C-N 121.035 -1.041 . . . . 3.65 108.879 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.08 146.33 81.71 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 122.3 2.0 . . . . 2.33 112.32 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -147.33 -72.1 0.01 OUTLIER Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.399 -1.48 . . . . 3.27 109.399 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.499 2.015 0 O-C-N 121.3 -1.118 . . . . 5.18 108.728 179.712 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.605 0 C3'-C2'-C1' 107.215 3.225 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.588 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.027 0 C3'-C2'-C1' 107.005 3.075 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.548 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.117 0 O4'-C1'-N19 110.353 3.191 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.548 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.916 0 O4'-C1'-N19 110.639 3.548 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.539 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.703 0 O4'-C1'-N19 110.736 3.669 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.539 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.128 0 O4'-C1'-N19 110.574 3.467 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.528 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.703 0 O4'-C1'-N19 110.981 3.976 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.585 3.481 . . . . 0.66 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.965 0 O4'-C1'-N19 110.207 3.008 . . . . 0.87 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.509 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.413 0 O4'-C1'-N19 110.328 3.16 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.509 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.857 0 O4'-C1'-N19 110.85 3.812 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 111.038 4.048 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.417 ' H71' ' OP2' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.334 0 C3'-C2'-C1' 106.871 2.979 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.529 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.944 0 O4'-C1'-N19 110.814 3.767 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.529 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.888 0 C3'-C2'-C1' 106.853 2.967 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.633 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.498 0 C3'-C2'-C1' 106.984 3.06 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.633 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.204 4.255 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.564 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.882 1 O4'-C1'-N19 111.875 5.093 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.432 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.006 1 O4'-C1'-N19 111.153 4.191 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.432 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.486 1 O4'-C1'-N19 111.171 4.214 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.242 0 O4'-C1'-N19 110.381 3.226 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.262 3.078 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo . . . . . 0 N--CA 1.491 1.359 0 CA-C-O 120.95 0.312 . . . . 7.56 112.362 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -85.71 116.73 24.16 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.861 -1.149 . . . . 7.46 109.518 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.75 7.81 0.1 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.792 -1.192 . . . . 4.04 110.451 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -82.6 138.55 34.18 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.102 -0.999 . . . . 4.49 110.032 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -88.14 104.38 16.64 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.216 -0.928 . . . . 0.79 109.593 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.48 119.14 32.2 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.24 -0.913 . . . . 0.93 109.92 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -96.61 4.38 51.98 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.355 -0.84 . . . . 2.1 109.776 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.619 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 19.2 t-80 -78.7 -33.2 0.88 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.26 -0.9 . . . . 3.25 111.888 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.6 Cg_exo -51.69 155.45 7.81 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.705 1.603 . . . . 1.0 111.924 -178.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.21 178.55 3.53 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.579 2.186 . . . . 1.37 112.123 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.2 19.64 78.22 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 110.773 -0.931 . . . . 1.3 110.773 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 21' ' ' THR . 3.3 t -91.22 95.73 10.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.935 -1.333 . . . . 1.05 108.849 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -76.68 151.65 36.05 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 109.047 -0.723 . . . . 2.59 109.047 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -107.24 71.05 0.29 Allowed Pre-proline 0 N--CA 1.5 2.063 0 O-C-N 121.3 -0.875 . . . . 2.32 111.545 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HG2' ' HE ' ' A' ' 27' ' ' ARG . 14.7 Cg_endo -61.18 143.84 98.76 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.374 1.383 . . . . 0.86 111.589 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -68.11 -25.09 65.14 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.609 -0.682 . . . . 3.74 111.657 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 m -67.18 1.61 2.0 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.947 -1.095 . . . . 0.87 111.638 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.404 ' HE ' ' HG2' ' A' ' 24' ' ' PRO . 27.9 mmt180 -94.02 -65.15 1.01 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.591 -1.318 . . . . 1.06 112.078 -178.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.7 p -86.75 -30.99 21.19 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.048 -1.033 . . . . 0.66 111.223 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -59.95 -39.78 86.75 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.836 -1.165 . . . . 2.82 110.076 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 49.7 m -60.65 -28.46 68.6 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.18 -0.95 . . . . 0.44 109.824 -179.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.557 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 80.1 mm-40 -84.58 139.11 32.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.412 -0.805 . . . . 1.3 110.741 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.532 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 25.7 mp0 -115.2 150.67 44.77 Favored Pre-proline 0 N--CA 1.501 2.097 0 N-CA-C 108.439 -0.948 . . . . 2.07 108.439 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.41 153.33 7.51 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.496 1.464 . . . . 0.48 111.373 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.97 137.27 26.01 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.024 -1.048 . . . . 0.27 110.796 -178.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -115.85 152.12 33.96 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.526 -0.734 . . . . 0.39 110.281 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -87.75 129.71 49.63 Favored Pre-proline 0 N--CA 1.495 1.807 0 O-C-N 121.523 -0.736 . . . . 0.42 109.149 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.58 -7.39 18.6 Favored 'Trans proline' 0 N--CA 1.49 1.305 0 C-N-CA 121.558 1.505 . . . . 0.8 111.985 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.1 mt -97.95 -59.8 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.269 -0.894 . . . . 0.53 111.135 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.0 p -111.62 19.48 18.06 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 121.274 -0.891 . . . . 0.47 110.424 -178.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 51.14 20.17 0.83 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.194 -0.941 . . . . 0.66 111.286 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.81 141.17 49.83 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.389 -1.337 . . . . 0.38 107.389 177.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.4 t -95.27 115.17 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.985 -1.072 . . . . 0.42 109.819 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' ALA . 45.9 mm -111.71 128.03 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 107.351 -1.352 . . . . 0.26 107.351 178.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -73.64 -57.18 4.17 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.796 -1.19 . . . . 2.05 110.659 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.536 ' NE2' ' C8 ' ' B' ' 105' ' ' ' DA' . 96.3 mt-30 -79.43 136.55 36.97 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.975 -1.078 . . . . 1.22 110.374 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.3 p -66.58 -36.81 83.54 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.884 -1.135 . . . . 0.35 109.642 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.557 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -57.57 -38.36 74.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.723 -1.236 . . . . 0.86 108.984 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.37 -28.07 66.79 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.188 -0.945 . . . . 0.33 109.255 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.2 tp -55.86 -48.09 76.15 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.078 -1.014 . . . . 0.37 108.973 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -59.7 -40.48 88.05 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.025 -1.07 . . . . 3.24 108.451 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -62.15 -38.98 91.07 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.451 -0.781 . . . . 0.45 109.562 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -60.77 -37.19 81.01 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.393 -0.817 . . . . 0.33 109.655 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.05 -44.73 94.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.98 -1.075 . . . . 0.44 109.835 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.88 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 89.9 mt-10 -70.58 -27.7 64.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.237 -0.914 . . . . 2.08 111.876 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.51 -44.41 11.31 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.525 -1.359 . . . . 0.5 112.258 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 3.3 mmp_? -107.93 19.36 20.14 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.908 -1.12 . . . . 2.21 113.161 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 97.7 m-70 -152.11 -70.3 0.16 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.03 -1.669 . . . . 0.67 111.165 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -79.16 3.41 17.79 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.62 -1.3 . . . . 0.88 110.046 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.88 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -72.1 -4.85 31.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.439 -0.788 . . . . 1.07 109.211 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -89.91 148.95 40.87 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.264 -0.897 . . . . 3.65 109.015 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.59 161.34 45.65 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.873 1.715 . . . . 2.33 112.049 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.12 153.49 52.93 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.584 -1.407 . . . . 3.27 109.584 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.498 1.948 0 O-C-N 121.336 -1.096 . . . . 5.18 109.051 179.761 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.652 0 O4'-C1'-N19 110.663 3.578 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.407 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.382 0 O4'-C1'-N19 110.562 3.452 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.407 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.072 0 O4'-C1'-N19 110.459 3.323 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 0 O4'-C1'-N19 110.601 3.501 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.544 ' H2 ' ' O2 ' ' C' ' 119' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.548 4.654 1 O4'-C1'-N19 111.506 4.632 . . . . 0.41 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.458 ' OP1' ' NZ ' ' A' ' 23' ' ' LYS . . . . . . . . 0 C5'--C4' 1.532 2.593 1 O4'-C1'-N19 111.289 4.362 . . . . 0.58 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.47 H2'' " O5'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.409 3.261 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.539 ' N7 ' ' NH2' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.559 0 O4'-C1'-N19 110.885 3.856 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.531 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.568 0 O4'-C1'-N19 110.574 3.467 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.531 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.776 0 O4'-C1'-N19 110.478 3.348 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.506 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.528 1 O4'-C1'-N19 111.089 4.112 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.617 1 O4'-C1'-N19 111.473 4.592 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.563 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.592 0 O4'-C1'-N19 110.706 3.633 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.563 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.62 0 O4'-C1'-N19 110.607 3.509 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.465 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.361 0 O4'-C1'-N19 110.312 3.14 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.464 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.027 0 O4'-C1'-N19 110.694 3.617 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.492 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.157 0 O4'-C1'-N19 110.849 3.811 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.492 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 111.61 4.763 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.544 ' O2 ' ' H2 ' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.666 1 O4'-C1'-N19 111.464 4.58 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.027 1 O4'-C1'-N19 111.229 4.287 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.537 0 O4'-C1'-N19 110.857 3.821 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.481 3.351 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 N--CA 1.494 1.509 0 CA-C-O 121.155 0.398 . . . . 7.56 111.842 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -79.52 147.83 32.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.998 -1.064 . . . . 7.46 109.786 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.08 111.16 2.41 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.373 -0.829 . . . . 4.04 109.14 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -83.38 149.43 26.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.354 -0.841 . . . . 4.49 109.713 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -83.43 105.91 14.75 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.436 -0.79 . . . . 0.79 109.228 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.74 127.58 38.29 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.367 -0.833 . . . . 0.93 110.209 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -89.35 16.01 8.18 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.429 -0.794 . . . . 2.1 109.012 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.596 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.8 t60 -79.53 -31.34 0.68 Allowed Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 113.048 0.759 . . . . 3.25 113.048 -177.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 69.4 Cg_exo -49.69 138.51 32.75 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 120.993 1.129 . . . . 1.0 111.996 -177.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.98 176.79 9.57 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.272 1.981 . . . . 1.37 112.373 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.68 26.99 68.11 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.819 -1.312 . . . . 1.3 109.819 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 21' ' ' THR . 0.7 OUTLIER -97.87 84.78 3.39 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.298 -1.119 . . . . 1.05 110.206 -179.337 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -78.15 147.71 34.43 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.934 -1.104 . . . . 2.59 109.21 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' NZ ' ' OP1' ' B' ' 106' ' ' ' DG' . 43.3 mtpt -95.11 109.21 43.33 Favored Pre-proline 0 N--CA 1.501 2.088 0 O-C-N 121.208 -0.933 . . . . 2.32 110.772 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -84.17 149.34 11.99 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.19 1.926 . . . . 0.86 110.622 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.564 HH11 ' HG2' ' A' ' 25' ' ' ARG . 12.4 mtt-85 -69.67 -26.45 64.38 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.921 -1.112 . . . . 3.74 110.563 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.8 m -68.99 -6.91 30.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.963 -1.085 . . . . 0.87 111.887 -177.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.539 ' NH2' ' N7 ' ' B' ' 108' ' ' ' DG' . 1.8 mmt-85 -99.3 -31.16 11.84 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.735 -1.228 . . . . 1.06 110.45 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 p -110.12 -38.91 5.17 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.166 -0.958 . . . . 0.66 109.817 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -60.65 -37.28 81.0 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.001 -1.062 . . . . 2.82 110.27 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.3 m -56.7 -35.68 68.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.169 -0.957 . . . . 0.44 110.937 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.555 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 46.6 mm-40 -69.15 147.8 50.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.709 -1.244 . . . . 1.3 109.797 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -126.99 152.68 75.95 Favored Pre-proline 0 N--CA 1.496 1.866 0 N-CA-C 108.044 -1.095 . . . . 2.07 108.044 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -44.52 153.56 0.36 Allowed 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 121.692 1.595 . . . . 0.48 112.861 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -145.91 133.97 21.5 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.477 -0.764 . . . . 0.27 109.566 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 36' ' ' CYS . 95.2 m -113.91 156.45 23.95 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 109.238 -0.653 . . . . 0.39 109.238 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.427 ' N ' HG22 ' A' ' 35' ' ' THR . 3.8 t -95.06 125.39 50.79 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.35 -0.844 . . . . 0.42 109.084 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -76.27 -1.04 11.01 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 121.556 1.504 . . . . 0.8 112.436 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.2 mt -101.92 -49.75 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.238 -0.914 . . . . 0.53 110.332 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.6 p -124.52 25.45 7.59 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.366 -0.834 . . . . 0.47 109.841 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 46.5 20.14 0.09 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.345 -0.847 . . . . 0.66 112.004 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.547 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.79 140.22 56.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.617 -1.302 . . . . 0.38 107.98 178.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.9 t -96.22 113.38 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.977 -1.077 . . . . 0.42 109.976 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' ALA . 25.5 mm -110.92 132.14 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 107.412 -1.329 . . . . 0.26 107.412 178.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.476 HH11 ' HG2' ' A' ' 44' ' ' ARG . 28.0 mtt-85 -75.49 -62.64 1.5 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.494 -1.379 . . . . 2.05 110.509 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.563 ' OE1' ' NE ' ' A' ' 47' ' ' ARG . 83.6 mt-30 -78.89 140.7 38.06 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.092 -1.005 . . . . 1.22 110.994 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.9 p -66.37 -36.34 82.61 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.396 -0.815 . . . . 0.35 109.966 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.563 ' NE ' ' OE1' ' A' ' 45' ' ' GLN . 2.3 ptt-85 -59.65 -41.07 89.7 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.952 -1.092 . . . . 0.86 109.24 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.408 ' HA ' HH12 ' A' ' 51' ' ' ARG . 93.7 m-20 -62.67 -32.05 73.05 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.16 -0.962 . . . . 0.33 110.019 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.2 tp -57.25 -42.34 81.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.031 -1.043 . . . . 0.37 108.43 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.509 HH11 ' HG2' ' A' ' 50' ' ' ARG . 17.1 ttt-85 -58.04 -40.05 79.93 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.509 -0.923 . . . . 3.24 108.509 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' CB ' ' NH1' ' A' ' 51' ' ' ARG . 12.4 ttp-105 -69.26 -36.02 76.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.221 -0.924 . . . . 0.45 108.733 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -62.77 -41.38 99.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.421 -0.799 . . . . 0.33 109.721 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.6 mt -60.07 -43.97 95.09 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.202 -0.936 . . . . 0.44 110.332 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.777 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 88.5 mt-10 -73.52 -21.65 60.33 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.333 -0.855 . . . . 2.08 113.002 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.7 mt -99.03 -37.84 9.2 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.958 -1.089 . . . . 0.5 111.678 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.489 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.8 mmm180 -103.95 14.03 31.53 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.861 -1.15 . . . . 2.21 112.292 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.5 m-70 -153.5 -76.68 0.12 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.085 -1.635 . . . . 0.67 111.12 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -76.39 8.57 3.31 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.32 -0.862 . . . . 0.88 109.348 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -68.75 -3.55 12.67 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.316 -0.994 . . . . 1.07 108.316 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -87.6 149.22 45.86 Favored Pre-proline 0 N--CA 1.491 1.605 0 N-CA-C 108.586 -0.894 . . . . 3.65 108.586 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -73.84 138.49 26.18 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.093 1.862 . . . . 2.33 111.722 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -147.19 -104.09 0.36 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.242 -1.543 . . . . 3.27 109.242 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.3 t . . . . . 0 N--CA 1.496 1.862 0 O-C-N 121.238 -1.154 . . . . 5.18 109.804 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.439 ' H8 ' " O5'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.58 0 O4'-C1'-N19 110.404 3.255 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.642 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.036 0 O4'-C1'-N19 110.861 3.826 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.642 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.172 1 O4'-C1'-N19 111.351 4.439 . . . . 0.65 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 1 O4'-C1'-N19 111.063 4.078 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 1 O4'-C1'-N19 111.419 4.524 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.513 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.881 0 O4'-C1'-N19 110.248 3.06 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.513 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.33 0 O4'-C1'-N19 110.965 3.957 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.444 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.533 1 O4'-C1'-N19 111.508 4.635 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.568 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.087 0 O4'-C1'-N19 110.679 3.599 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.568 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.126 0 C3'-C2'-C1' 106.971 3.051 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.512 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.444 1 O4'-C1'-N19 111.161 4.202 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.289 0 O4'-C1'-N19 110.478 3.348 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.534 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.864 0 O4'-C1'-N19 110.459 3.324 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.534 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.273 0 O4'-C1'-N19 110.749 3.687 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.546 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.016 0 C3'-C2'-C1' 106.667 2.833 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.583 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.332 0 C3'-C2'-C1' 106.965 3.046 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.583 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.441 1.616 1 O4'-C1'-N19 111.207 4.258 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.476 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.882 3.852 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.813 1 O4'-C1'-N19 111.1 4.125 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.579 1 O4'-C1'-N19 111.173 4.216 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.333 0 O4'-C1'-N19 110.373 3.216 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.869 0 C3'-C2'-C1' 106.947 3.034 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo . . . . . 0 N--CA 1.497 1.722 0 CA-C-O 121.379 0.491 . . . . 7.56 112.335 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -82.31 -73.85 0.37 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.277 -0.89 . . . . 7.46 109.279 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.53 139.29 55.62 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.168 -0.958 . . . . 4.04 109.785 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -88.67 -99.41 0.09 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.468 -0.77 . . . . 4.49 109.775 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -91.1 110.11 21.38 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.347 -0.845 . . . . 0.79 109.658 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.23 127.3 39.99 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.145 -0.972 . . . . 0.93 111.356 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -93.44 4.23 54.29 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.088 -1.007 . . . . 2.1 109.577 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.613 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.4 m-70 -81.12 -29.18 0.51 Allowed Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 121.409 -0.807 . . . . 3.25 113.108 -178.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 74.5 Cg_exo -50.14 152.51 7.81 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 121.781 1.654 . . . . 1.0 112.878 -178.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -73.11 164.77 34.52 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.79 2.327 . . . . 1.37 112.312 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.84 18.78 78.51 Favored Glycine 0 N--CA 1.484 1.866 0 N-CA-C 110.415 -1.074 . . . . 1.3 110.415 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 21' ' ' THR . 8.7 t -95.52 83.84 3.87 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.854 -1.38 . . . . 1.05 108.517 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -76.09 157.7 32.6 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.437 -0.789 . . . . 2.59 109.413 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -105.15 70.77 0.21 Allowed Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 121.372 -0.83 . . . . 2.32 110.19 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.4 140.97 79.3 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.402 1.402 . . . . 0.86 110.721 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -77.75 -1.04 29.33 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.485 -0.759 . . . . 3.74 109.412 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -73.16 -5.66 40.65 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.019 -1.051 . . . . 0.87 109.511 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 24.5 mmt180 -99.06 -22.98 15.44 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.246 -1.02 . . . . 1.06 108.246 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.3 p -105.95 -37.62 6.6 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.633 0.73 . . . . 0.66 109.213 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -63.59 -36.25 83.19 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.158 -0.963 . . . . 2.82 108.855 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.9 m -60.28 -29.01 68.54 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.135 -1.061 . . . . 0.44 108.135 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.592 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 56.1 mm-40 -89.29 138.07 31.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.919 -0.488 . . . . 1.3 110.004 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -117.44 149.9 45.6 Favored Pre-proline 0 N--CA 1.502 2.167 0 N-CA-C 107.778 -1.193 . . . . 2.07 107.778 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -40.28 156.5 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.295 1.997 . . . . 0.48 112.183 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.92 135.86 21.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.338 -0.851 . . . . 0.27 110.244 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.2 m -116.87 146.1 43.14 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.606 -0.684 . . . . 0.39 110.373 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.8 t -85.42 132.79 43.83 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.831 -0.543 . . . . 0.42 109.615 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -79.89 -8.46 14.43 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 121.971 1.78 . . . . 0.8 113.352 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.9 mt -96.33 -42.6 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.949 -1.094 . . . . 0.53 110.496 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.6 p -127.84 19.26 6.64 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.181 -0.95 . . . . 0.47 110.771 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 49.89 17.92 0.32 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.408 -0.807 . . . . 0.66 111.328 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.575 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.55 139.98 56.69 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.553 -1.342 . . . . 0.38 107.798 178.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.58 113.85 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.926 -1.109 . . . . 0.42 110.53 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.0 mm -109.24 127.01 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 N-CA-C 107.329 -1.36 . . . . 0.26 107.329 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.452 HH11 ' HG2' ' A' ' 44' ' ' ARG . 17.6 mtt-85 -68.74 -57.73 5.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.545 -1.347 . . . . 2.05 110.833 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.444 ' NE2' HH21 ' A' ' 47' ' ' ARG . 98.0 mt-30 -80.26 135.34 36.22 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.279 -0.888 . . . . 1.22 110.935 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.4 p -66.19 -36.53 83.32 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.276 -0.89 . . . . 0.35 109.532 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.592 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -57.73 -35.65 70.97 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.455 -1.403 . . . . 0.86 109.625 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.423 ' ND2' ' OE1' ' A' ' 45' ' ' GLN . 94.2 m-20 -73.95 -25.52 60.0 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.066 -1.022 . . . . 0.33 108.785 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.92 -46.19 88.53 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.226 -0.99 . . . . 0.37 108.513 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -60.25 -41.68 93.71 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.181 -1.044 . . . . 3.24 108.181 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -63.95 -33.99 76.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.45 110.021 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -64.49 -36.23 83.52 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.302 -0.874 . . . . 0.33 109.59 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.01 -41.38 96.42 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.064 -1.023 . . . . 0.44 109.572 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 75.9 mt-10 -75.13 -15.03 60.62 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.681 -0.637 . . . . 2.08 111.276 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.2 mt -102.1 -42.29 6.13 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.508 -1.37 . . . . 0.5 111.084 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.509 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.0 mmm180 -105.56 11.29 32.57 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.896 -1.127 . . . . 2.21 112.61 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.509 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 90.2 m-70 -152.49 -71.05 0.15 Allowed 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.107 -1.62 . . . . 0.67 110.583 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -80.19 13.63 2.25 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.0 -1.062 . . . . 0.88 109.414 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -72.58 10.44 0.83 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.36 -0.838 . . . . 1.07 109.992 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -88.93 150.34 45.29 Favored Pre-proline 0 C--N 1.299 -1.617 0 O-C-N 121.083 -1.011 . . . . 3.65 108.33 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -47.47 163.92 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 121.285 1.323 . . . . 2.33 111.42 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.421 ' H ' ' H ' ' A' ' 63' ' ' VAL . . . -176.99 -8.23 0.02 OUTLIER Glycine 0 N--CA 1.491 2.342 0 C-N-CA 119.52 -1.324 . . . . 3.27 110.021 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.421 ' H ' ' H ' ' A' ' 62' ' ' GLY . 37.2 t . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.203 -1.174 . . . . 5.18 109.458 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.707 3.634 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.502 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.659 0 O4'-C1'-N19 110.626 3.532 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.502 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.336 0 O4'-C1'-N19 110.517 3.396 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.556 1 O4'-C1'-N19 111.177 4.222 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.447 ' C8 ' ' NE2' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.531 2.468 1 O4'-C1'-N19 111.02 4.026 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.535 " C1'" ' HZ2' ' A' ' 16' ' ' LYS . . . . . . . . 0 C5'--C4' 1.534 2.85 0 C3'-C2'-C1' 106.783 2.917 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.5 H2'' " O5'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.961 1 O4'-C1'-N19 111.228 4.284 . . . . 0.7 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.5 " O5'" H2'' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.508 0 O4'-C1'-N19 110.888 3.86 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.235 0 C3'-C2'-C1' 107.143 3.174 . . . . 0.87 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 0 O4'-C1'-N19 110.784 3.729 . . . . 0.86 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.131 0 O4'-C1'-N19 110.745 3.682 . . . . 0.96 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . 0.494 " H2'" ' H72' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.368 0 O4'-C1'-N19 110.862 3.827 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.494 ' H72' " H2'" ' C' ' 112' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.934 0 O4'-C1'-N19 110.261 3.076 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.409 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.147 0 O4'-C1'-N19 110.654 3.567 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C1'-N19 110.271 3.089 . . . . 0.53 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.42 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.984 0 O4'-C1'-N19 110.367 3.209 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.527 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.022 1 O4'-C1'-N19 111.27 4.338 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.527 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.009 1 O4'-C1'-N19 111.648 4.81 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.426 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.722 0 O4'-C1'-N19 110.602 3.502 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.258 0 O4'-C1'-N19 110.994 3.993 . . . . 0.68 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.543 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.913 0 O4'-C1'-N19 110.695 3.619 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . 0.543 " O5'" H2'' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.448 0 O4'-C1'-N19 110.729 3.662 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo . . . . . 0 N--CA 1.492 1.405 0 CA-C-O 121.437 0.515 . . . . 7.56 112.08 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -76.3 161.24 28.91 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.999 -0.741 . . . . 7.46 108.999 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.74 22.5 0.39 Allowed 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.624 -0.88 . . . . 4.04 108.624 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -78.68 145.24 34.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.365 -0.834 . . . . 4.49 109.183 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -85.75 106.66 17.16 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.864 0.84 . . . . 0.79 109.073 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.58 109.36 21.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.467 -0.77 . . . . 0.93 109.636 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HZ2' " C1'" ' B' ' 106' ' ' ' DG' . 0.2 OUTLIER -90.91 3.64 54.03 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.245 -0.91 . . . . 2.1 109.061 179.446 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.51 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -82.71 -44.05 0.92 Allowed Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.253 -0.904 . . . . 3.25 112.357 -177.632 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 86.5 Cg_exo -48.06 150.95 4.43 Favored 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.564 2.176 . . . . 1.0 112.528 -177.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -57.3 175.41 0.36 Allowed 'Trans proline' 0 N--CA 1.504 2.103 0 C-N-CA 122.356 2.037 . . . . 1.37 112.392 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.92 16.36 80.72 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.843 -1.303 . . . . 1.3 109.843 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.88 91.34 7.86 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.093 -1.24 . . . . 1.05 109.341 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -78.2 143.5 37.12 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.542 -0.724 . . . . 2.59 109.329 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -106.66 68.99 0.23 Allowed Pre-proline 0 N--CA 1.5 2.038 0 O-C-N 121.597 -0.689 . . . . 2.32 110.727 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.22 135.33 53.77 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.88 1.72 . . . . 0.86 111.942 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -70.14 -11.06 60.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.491 -0.756 . . . . 3.74 109.52 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.8 m -70.18 -9.36 55.49 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.449 -0.782 . . . . 0.87 110.627 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -105.12 -17.87 14.34 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.076 -1.015 . . . . 1.06 109.335 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.7 p -107.68 -41.24 5.07 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.544 -0.723 . . . . 0.66 109.812 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.466 ' NE2' ' C ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -59.96 -26.92 66.38 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.268 -0.895 . . . . 2.82 109.224 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.7 m -60.55 -28.57 68.54 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.244 -0.91 . . . . 0.44 109.093 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -94.31 145.09 24.99 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.278 -0.888 . . . . 1.3 110.124 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -114.76 152.63 46.54 Favored Pre-proline 0 N--CA 1.499 2.008 0 N-CA-C 107.887 -1.153 . . . . 2.07 107.887 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -48.45 153.09 3.44 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.39 1.393 . . . . 0.48 110.871 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -141.48 129.97 22.59 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.22 -0.925 . . . . 0.27 110.248 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.0 m -111.61 148.03 34.2 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.564 0.697 . . . . 0.39 109.998 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.1 t -85.9 130.09 51.83 Favored Pre-proline 0 N--CA 1.492 1.627 0 N-CA-C 109.091 -0.707 . . . . 0.42 109.091 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.06 -6.28 17.17 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 121.772 1.648 . . . . 0.8 113.77 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.1 mt -99.88 -52.71 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 120.905 -1.122 . . . . 0.53 110.313 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.6 p -115.81 19.63 15.06 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.261 -0.9 . . . . 0.47 110.288 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 49.14 17.4 0.18 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.38 -0.825 . . . . 0.66 110.888 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.615 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.3 139.49 48.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.516 -1.365 . . . . 0.38 107.665 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.0 t -94.8 112.92 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.194 -0.941 . . . . 0.42 110.733 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' ALA . 31.7 mm -110.2 131.37 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 107.818 -1.178 . . . . 0.26 107.818 178.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' A' ' 44' ' ' ARG . 10.5 mtt-85 -75.39 -62.91 1.41 Allowed 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.933 -1.104 . . . . 2.05 110.814 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.447 ' NE2' ' C8 ' ' B' ' 105' ' ' ' DA' . 87.7 mt-30 -79.04 136.99 37.35 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.111 -0.993 . . . . 1.22 110.584 -179.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -63.54 -33.93 76.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.274 -0.891 . . . . 0.35 109.883 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.4 ptp180 -58.74 -40.01 82.55 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.208 -0.933 . . . . 0.86 109.212 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.442 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.2 m-20 -69.7 -27.36 64.93 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.326 -0.859 . . . . 0.33 109.868 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.37 -47.63 83.22 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.903 -1.123 . . . . 0.37 109.327 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.497 HH11 ' CG ' ' A' ' 50' ' ' ARG . 8.3 mtt-85 -58.83 -40.02 82.95 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.276 -1.379 . . . . 3.24 107.276 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.445 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 45.2 ttp180 -62.89 -39.8 95.59 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 109.366 -0.605 . . . . 0.45 109.366 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -61.41 -38.89 88.76 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.557 -0.714 . . . . 0.33 110.111 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.19 -42.32 94.79 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.15 -0.969 . . . . 0.44 109.719 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.824 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 63.4 mm-40 -72.16 -24.14 61.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.445 -0.784 . . . . 2.08 111.803 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.5 mt -93.95 -41.31 9.66 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.832 -1.168 . . . . 0.5 112.054 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.514 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 3.4 mmp_? -106.25 11.57 30.99 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.078 -1.014 . . . . 2.21 113.331 -176.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.0 m-70 -153.11 -65.94 0.15 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 119.916 -1.74 . . . . 0.67 110.52 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -81.2 6.86 12.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.055 -1.028 . . . . 0.88 110.186 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.824 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.35 -0.76 10.89 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.778 -0.823 . . . . 1.07 108.778 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.67 152.15 43.05 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.284 -0.885 . . . . 3.65 109.303 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -75.65 154.18 39.32 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 122.336 2.024 . . . . 2.33 110.882 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -170.87 -176.91 40.45 Favored Glycine 0 N--CA 1.485 1.953 0 N-CA-C 109.079 -1.608 . . . . 3.27 109.079 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.493 1.723 0 O-C-N 121.399 -1.06 . . . . 5.18 109.183 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.56 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.462 0 O4'-C1'-N19 110.786 3.733 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.441 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.833 0 O4'-C1'-N19 110.68 3.601 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.497 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.538 0 C3'-C2'-C1' 106.994 3.067 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.497 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.16 0 O4'-C1'-N19 110.854 3.817 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.424 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.29 1 O4'-C1'-N19 111.639 4.799 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.972 0 C3'-C2'-C1' 106.983 3.059 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O4'-C1'-N19 110.881 3.851 . . . . 0.7 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.496 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.339 1 O4'-C1'-N19 111.565 4.707 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.534 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.14 1 O4'-C1'-N19 111.181 4.226 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.534 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.979 0 O4'-C1'-N19 110.576 3.47 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.419 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.841 1 O4'-C1'-N19 111.151 4.189 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . 0.497 " H2'" ' H72' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.261 0 O4'-C1'-N19 110.906 3.883 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.497 ' H72' " H2'" ' C' ' 112' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.369 0 C3'-C2'-C1' 106.951 3.036 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.47 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.998 0 O4'-C1'-N19 110.804 3.755 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.47 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.324 0 O4'-C1'-N19 110.863 3.829 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.494 0 O4'-C1'-N19 110.588 3.485 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.51 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.402 1 O4'-C1'-N19 111.018 4.023 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.51 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.831 1 O4'-C1'-N19 111.653 4.816 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.774 1 O4'-C1'-N19 111.349 4.436 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.33 1 O4'-C1'-N19 111.181 4.227 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.626 0 O4'-C1'-N19 110.64 3.551 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.485 0 O4'-C1'-N19 110.485 3.357 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo . . . . . 0 N--CA 1.492 1.422 0 CA-C-O 121.488 0.537 . . . . 7.56 112.219 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -85.01 120.17 26.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.518 -0.739 . . . . 7.46 109.397 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.32 -80.17 0.06 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.944 -1.097 . . . . 4.04 109.274 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.35 129.66 34.76 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.432 -0.793 . . . . 4.49 109.173 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -85.49 98.7 10.76 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.02 -1.05 . . . . 0.79 108.349 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.14 134.15 35.61 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.39 -0.819 . . . . 0.93 110.48 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -89.08 17.2 6.07 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.327 -0.99 . . . . 2.1 108.327 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.594 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 23.3 m170 -77.53 -30.0 0.73 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.281 -0.887 . . . . 3.25 112.847 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 57.6 Cg_exo -49.98 141.61 29.04 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 121.531 1.487 . . . . 1.0 112.887 -178.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -74.02 172.26 16.29 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.333 2.022 . . . . 1.37 111.466 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.69 17.05 79.05 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.92 -1.272 . . . . 1.3 109.92 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 21' ' ' THR . 5.2 t -90.54 86.84 6.53 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.043 -1.269 . . . . 1.05 110.217 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 1.1 mp0 -79.83 158.76 26.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.238 -0.914 . . . . 2.59 109.037 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -105.84 73.97 0.29 Allowed Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.256 -0.902 . . . . 2.32 110.236 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.86 143.38 91.49 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.035 1.157 . . . . 0.86 111.757 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 25' ' ' ARG . 45.9 mtt-85 -68.96 -14.31 62.96 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.275 -0.891 . . . . 3.74 109.942 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -68.1 -6.28 22.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.083 -1.011 . . . . 0.87 109.824 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 30.0 mmt180 -100.58 -21.53 15.26 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.319 -0.863 . . . . 1.06 110.645 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 p -107.35 -41.41 5.1 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.119 -0.988 . . . . 0.66 110.476 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.39 -28.46 69.26 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.039 -1.038 . . . . 2.82 110.192 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -53.54 -38.29 63.66 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.711 0.767 . . . . 0.44 109.267 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.545 ' CG ' HH21 ' A' ' 47' ' ' ARG . 74.0 mm-40 -91.55 148.88 21.97 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.409 -0.807 . . . . 1.3 109.084 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -114.82 149.92 43.21 Favored Pre-proline 0 N--CA 1.494 1.758 0 N-CA-C 108.921 -0.77 . . . . 2.07 108.921 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -38.05 154.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.365 2.043 . . . . 0.48 111.578 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.83 136.18 22.75 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.835 -1.166 . . . . 0.27 110.476 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 36' ' ' CYS . 51.0 m -117.1 158.96 23.32 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.671 -0.862 . . . . 0.39 108.671 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.421 ' N ' HG22 ' A' ' 35' ' ' THR . 1.8 t -105.07 103.66 42.91 Favored Pre-proline 0 N--CA 1.504 2.248 0 O-C-N 121.306 -0.871 . . . . 0.42 108.925 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -53.69 -4.55 0.23 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.067 1.845 . . . . 0.8 113.851 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.9 mt -96.29 -64.21 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 120.778 -1.201 . . . . 0.53 109.863 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.4 p -106.93 11.32 30.02 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.978 -0.749 . . . . 0.47 108.978 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' CYS . 90.9 m-85 55.46 25.45 7.78 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.842 -0.536 . . . . 0.66 110.529 178.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.502 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.91 135.07 57.68 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.208 -1.404 . . . . 0.38 107.208 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.6 t -92.04 109.12 20.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 O-C-N 120.993 -1.067 . . . . 0.42 109.806 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' ALA . 42.2 mm -109.12 129.54 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 N-CA-C 107.627 -1.249 . . . . 0.26 107.627 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -71.94 -64.74 0.88 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.753 -1.217 . . . . 2.05 110.437 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -78.96 140.54 38.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.36 -0.837 . . . . 1.22 110.664 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.9 p -67.69 -32.4 73.03 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.694 -0.629 . . . . 0.35 110.917 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.545 HH21 ' CG ' ' A' ' 31' ' ' GLU . 13.9 ptp180 -59.41 -40.63 87.28 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.908 -1.12 . . . . 0.86 109.442 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.408 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 97.6 m-20 -69.45 -29.4 67.08 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.536 -0.727 . . . . 0.33 109.698 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.2 tp -60.0 -46.43 89.51 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.408 -0.807 . . . . 0.37 109.151 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -59.89 -40.22 87.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.842 -1.161 . . . . 3.24 108.178 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -63.82 -36.77 84.99 Favored 'General case' 0 C--N 1.296 -1.733 0 C-N-CA 119.747 -0.781 . . . . 0.45 109.353 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -63.22 -33.46 75.54 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.292 -0.88 . . . . 0.33 110.011 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.78 -47.63 82.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.923 -1.111 . . . . 0.44 110.04 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.818 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 93.5 mt-10 -72.49 -21.5 61.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.272 -0.892 . . . . 2.08 111.808 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.16 -35.97 12.27 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.556 -1.34 . . . . 0.5 112.075 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.518 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.1 mmm180 -110.48 13.75 22.67 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.909 -1.119 . . . . 2.21 112.025 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.518 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.8 m-70 -152.56 -72.1 0.15 Allowed 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.389 -1.444 . . . . 0.67 111.444 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -80.47 9.82 5.46 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.753 -1.217 . . . . 0.88 110.672 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.818 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -66.34 -11.99 54.17 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.958 -1.089 . . . . 1.07 109.489 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -90.38 154.64 46.61 Favored Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 121.043 -1.036 . . . . 3.65 110.451 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 62' ' ' GLY . 60.4 Cg_exo -49.38 144.14 18.69 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.957 1.772 . . . . 2.33 110.775 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 61' ' ' PRO . . . -47.85 -96.29 0.01 OUTLIER Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.775 -1.33 . . . . 3.27 109.775 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 N--CA 1.495 1.777 0 O-C-N 121.387 -1.066 . . . . 5.18 109.968 -179.742 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C1'-N19 110.194 2.992 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.421 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.627 0 O4'-C1'-N19 110.401 3.252 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.421 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.19 4.237 . . . . 0.65 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.461 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.248 1 O4'-C1'-N19 111.166 4.207 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.461 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.609 1 O4'-C1'-N19 111.902 5.127 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.478 0 O4'-C1'-N19 110.657 3.571 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.794 0 O4'-C1'-N19 110.194 2.992 . . . . 0.7 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.527 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.174 0 O4'-C1'-N19 110.38 3.225 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.501 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.402 1 O4'-C1'-N19 111.554 4.693 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.6 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.017 0 C3'-C2'-C1' 107.041 3.101 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.6 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.303 0 O4'-C1'-N19 110.608 3.51 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . 0.424 " H2'" ' H72' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.149 0 O4'-C1'-N19 110.823 3.778 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.424 ' H72' " H2'" ' C' ' 112' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.688 3.61 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C1'-N19 110.637 3.546 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.384 0 O4'-C1'-N19 110.538 3.423 . . . . 0.53 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.55 " H4'" ' OP1' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.607 0 O4'-C1'-N19 110.882 3.852 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.55 ' OP1' " H4'" ' C' ' 116' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.546 4.371 1 O4'-C1'-N19 111.877 5.096 . . . . 1.95 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.732 1 O4'-C1'-N19 111.286 4.357 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.109 0 O4'-C1'-N19 110.786 3.732 . . . . 0.64 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.529 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.742 3.678 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.529 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.131 0 O4'-C1'-N19 110.946 3.933 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.545 0 O4'-C1'-N19 110.381 3.226 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo . . . . . 0 N--CA 1.496 1.626 0 CA-C-O 121.173 0.405 . . . . 7.56 111.73 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -82.56 148.83 27.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.129 -0.982 . . . . 7.46 108.913 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.02 -152.43 0.32 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.889 -1.132 . . . . 4.04 110.234 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -150.37 -69.32 0.19 Allowed 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.336 -0.853 . . . . 4.49 109.008 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -85.68 100.78 12.22 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.954 -1.091 . . . . 0.79 109.93 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.0 132.36 45.4 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.574 -0.704 . . . . 0.93 109.96 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -93.78 9.2 38.15 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.782 -0.821 . . . . 2.1 108.782 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.629 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.0 m80 -78.91 -30.68 0.68 Allowed Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.337 -0.852 . . . . 3.25 112.403 -178.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.0 Cg_exo -54.21 143.75 62.51 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.963 1.775 . . . . 1.0 111.518 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -77.87 173.59 13.83 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.645 2.23 . . . . 1.37 111.886 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.24 31.96 49.98 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.389 -1.484 . . . . 1.3 109.389 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 21' ' ' THR . 13.5 t -90.52 88.73 7.26 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.123 -1.222 . . . . 1.05 109.715 -179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -81.08 141.95 33.81 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.981 -1.074 . . . . 2.59 108.667 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -106.54 72.94 0.3 Allowed Pre-proline 0 N--CA 1.504 2.235 0 O-C-N 121.115 -0.99 . . . . 2.32 110.476 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -64.95 142.32 74.7 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.27 1.313 . . . . 0.86 111.263 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' H ' ' CD ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -70.52 -6.72 38.34 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.27 -0.894 . . . . 3.74 109.449 -179.19 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.3 m -70.29 -7.76 45.02 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.258 -0.901 . . . . 0.87 109.931 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.527 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 31.3 mmt180 -102.13 -23.3 14.07 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.005 -1.059 . . . . 1.06 110.614 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 p -103.12 -36.31 8.18 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.969 -1.082 . . . . 0.66 110.336 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.2 -30.07 69.13 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.009 -1.057 . . . . 2.82 110.164 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.4 m -59.64 -30.57 68.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.263 -0.898 . . . . 0.44 109.476 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -84.35 143.37 29.53 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.153 -0.967 . . . . 1.3 110.412 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 44' ' ' ARG . 92.9 mt-30 -115.75 153.52 48.01 Favored Pre-proline 0 N--CA 1.501 2.117 0 N-CA-C 108.889 -0.782 . . . . 2.07 108.889 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.09 154.55 17.62 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 122.291 1.994 . . . . 0.48 111.726 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 43' ' ' ILE . . . -149.99 136.65 19.2 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.856 -1.153 . . . . 0.27 111.104 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.508 HG22 ' N ' ' A' ' 36' ' ' CYS . 87.8 m -114.48 161.46 17.96 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.526 -0.734 . . . . 0.39 109.371 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.508 ' N ' HG22 ' A' ' 35' ' ' THR . 6.3 t -106.36 100.45 29.72 Favored Pre-proline 0 N--CA 1.504 2.227 0 O-C-N 121.459 -0.776 . . . . 0.42 109.664 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.74 -0.59 0.09 OUTLIER 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.246 1.964 . . . . 0.8 113.35 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.424 ' H ' ' C ' ' A' ' 36' ' ' CYS . 17.3 mt -98.33 -63.95 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.896 -1.128 . . . . 0.53 109.71 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.9 p -109.21 13.15 24.55 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.585 -0.895 . . . . 0.47 108.585 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 55.44 19.04 2.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.835 -0.54 . . . . 0.66 110.947 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.588 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.23 136.37 57.94 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.603 -1.258 . . . . 0.38 107.603 178.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -95.84 112.23 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 120.7 -1.25 . . . . 0.42 110.449 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 34' ' ' ALA . 26.8 mm -109.29 129.91 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 107.026 -1.472 . . . . 0.26 107.026 177.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.455 HH11 ' HG2' ' A' ' 44' ' ' ARG . 17.9 mtt-85 -71.73 -61.76 1.66 Allowed 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.864 -1.148 . . . . 2.05 110.329 -178.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.57 HE22 ' NH2' ' A' ' 47' ' ' ARG . 76.4 mt-30 -78.26 136.59 37.79 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.9 -1.125 . . . . 1.22 110.76 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.7 p -66.49 -38.96 88.4 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.317 -0.865 . . . . 0.35 110.252 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.57 ' NH2' HE22 ' A' ' 45' ' ' GLN . 26.6 ptt180 -55.66 -38.78 70.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.963 -1.086 . . . . 0.86 108.639 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.82 -27.56 64.98 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.231 -0.918 . . . . 0.33 109.576 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.76 -46.67 88.44 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.701 -1.249 . . . . 0.37 108.991 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -55.64 -41.2 73.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.787 -1.196 . . . . 3.24 107.964 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.41 ' NH1' ' C5 ' ' B' ' 103' ' ' ' DC' . 46.7 ttp180 -60.6 -42.08 96.05 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.464 -0.894 . . . . 0.45 108.768 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.52 -39.16 86.78 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.485 -0.759 . . . . 0.33 110.861 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.05 -41.77 83.99 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.955 -1.091 . . . . 0.44 109.588 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.821 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 94.0 mt-10 -73.44 -17.77 61.21 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.458 -0.776 . . . . 2.08 111.767 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -93.89 -50.18 5.47 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 120.687 -1.258 . . . . 0.5 113.462 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 3.4 mmp_? -106.15 26.26 9.98 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.613 -1.304 . . . . 2.21 111.775 -177.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 97.8 m-70 -155.35 -76.9 0.1 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.474 -1.392 . . . . 0.67 110.519 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.51 ' C ' ' H ' ' A' ' 60' ' ' LYS . 89.2 m-85 -78.58 6.25 9.14 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.457 -0.777 . . . . 0.88 109.651 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.821 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -72.27 20.09 0.07 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.553 -0.717 . . . . 1.07 109.293 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.51 ' H ' ' C ' ' A' ' 58' ' ' PHE . 2.3 mmmm -87.62 150.4 48.41 Favored Pre-proline 0 N--CA 1.495 1.805 0 N-CA-C 108.496 -0.927 . . . . 3.65 108.496 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -71.66 163.13 39.94 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.287 1.991 . . . . 2.33 112.886 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -162.62 -130.68 1.14 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.132 -1.587 . . . . 3.27 109.132 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.355 -1.085 . . . . 5.18 108.691 179.304 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.571 0 O4'-C1'-N19 110.395 3.243 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.576 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.467 0 O4'-C1'-N19 110.432 3.29 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.576 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.325 0 O4'-C1'-N19 110.768 3.71 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.508 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.791 0 O4'-C1'-N19 110.835 3.794 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.508 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.016 1 O4'-C1'-N19 111.115 4.144 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.429 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.454 0 O4'-C1'-N19 110.441 3.301 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.429 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.599 0 O4'-C1'-N19 110.68 3.6 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.601 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.455 1 O4'-C1'-N19 111.105 4.132 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.601 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.086 1 O4'-C1'-N19 111.395 4.493 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.544 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.052 0 C3'-C2'-C1' 107.112 3.152 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.544 0 O4'-C1'-N19 110.979 3.974 . . . . 0.96 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.606 0 O4'-C1'-N19 110.81 3.762 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.501 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.009 0 O4'-C1'-N19 110.353 3.191 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.566 H2'' " O5'" ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.517 1 O4'-C1'-N19 111.111 4.138 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.566 " O5'" H2'' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.03 0 C3'-C2'-C1' 106.899 2.999 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 0 O4'-C1'-N19 110.334 3.168 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.511 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.678 1 O4'-C1'-N19 111.251 4.313 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.511 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.31 4.388 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.456 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.378 0 O4'-C1'-N19 110.682 3.602 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.456 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.405 1 O4'-C1'-N19 111.204 4.255 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.778 0 O4'-C1'-N19 110.587 3.484 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 0 O4'-C1'-N19 110.442 3.303 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo . . . . . 0 N--CA 1.492 1.44 0 CA-C-O 121.215 0.423 . . . . 7.56 111.849 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -75.87 168.69 19.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.228 -0.92 . . . . 7.46 109.334 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.1 4.17 0.14 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.091 -1.005 . . . . 4.04 109.194 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -78.3 148.41 33.85 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.504 -0.748 . . . . 4.49 109.03 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -89.35 97.78 11.39 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.301 -0.874 . . . . 0.79 108.995 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.47 121.61 37.34 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.282 -0.886 . . . . 0.93 110.746 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -94.11 8.59 41.02 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.418 -0.801 . . . . 2.1 109.923 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.62 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 12.3 t-80 -82.37 -34.33 0.66 Allowed Pre-proline 0 N--CA 1.501 2.121 0 O-C-N 120.85 -1.156 . . . . 3.25 111.882 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 37.1 Cg_exo -58.8 139.29 90.15 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 122.079 1.853 . . . . 1.0 111.843 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 18' ' ' PRO . 84.7 Cg_exo -44.09 179.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.094 1.863 . . . . 1.37 112.996 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.65 25.92 64.13 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 110.004 -1.238 . . . . 1.3 110.004 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 21' ' ' THR . 7.8 t -91.51 87.03 6.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.034 -1.274 . . . . 1.05 108.843 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -84.24 139.52 32.3 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.381 -0.825 . . . . 2.59 109.255 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -108.04 80.46 1.06 Allowed Pre-proline 0 N--CA 1.499 2.023 0 O-C-N 121.518 -0.739 . . . . 2.32 110.372 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.75 135.97 16.49 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 122.015 1.81 . . . . 0.86 112.243 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.97 -4.78 30.45 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.276 -0.89 . . . . 3.74 110.454 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -69.56 -14.45 62.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.043 -1.035 . . . . 0.87 110.009 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.547 ' NH1' ' N7 ' ' C' ' 114' ' ' ' DA' . 15.4 mmm180 -105.86 -23.34 12.71 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.179 -0.951 . . . . 1.06 109.875 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 p -97.16 -29.74 13.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.077 -1.015 . . . . 0.66 108.446 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -72.3 -40.23 67.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.304 -0.872 . . . . 2.82 108.879 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -58.78 -29.98 67.22 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.43 -0.952 . . . . 0.44 108.43 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -80.59 138.87 36.49 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.516 -0.74 . . . . 1.3 109.358 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -123.87 152.63 66.57 Favored Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 121.561 -0.712 . . . . 2.07 109.103 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -41.88 152.68 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.281 0 C-N-CA 121.734 1.623 . . . . 0.48 112.168 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 43' ' ' ILE . . . -149.08 131.19 15.39 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.285 -0.884 . . . . 0.27 109.736 -179.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 36' ' ' CYS . 35.2 m -116.17 160.78 19.91 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.478 -0.764 . . . . 0.39 110.763 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.499 ' N ' HG22 ' A' ' 35' ' ' THR . 8.1 t -106.58 100.63 31.6 Favored Pre-proline 0 N--CA 1.5 2.027 0 O-C-N 121.752 -0.592 . . . . 0.42 109.896 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.73 -2.1 0.18 Allowed 'Trans proline' 0 N--CA 1.502 2.019 0 C-N-CA 122.357 2.038 . . . . 0.8 113.552 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.9 mt -97.45 -55.0 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 120.994 -1.066 . . . . 0.53 109.507 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.677 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.8 p -117.95 15.18 14.26 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 108.571 -0.9 . . . . 0.47 108.571 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 36' ' ' CYS . 94.3 m-85 52.72 17.45 0.83 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.783 -0.573 . . . . 0.66 110.404 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.677 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.36 134.05 53.33 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.439 -1.319 . . . . 0.38 107.439 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.1 t -94.64 112.94 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.951 -1.093 . . . . 0.42 110.892 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.539 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 30.2 mm -111.03 121.39 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.278 -1.378 . . . . 0.26 107.278 178.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' A' ' 44' ' ' ARG . 14.6 mtt-85 -65.74 -52.65 49.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.791 -1.193 . . . . 2.05 110.582 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.56 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 47.5 mt-30 -83.69 137.65 33.68 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.287 -0.883 . . . . 1.22 111.307 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.2 p -66.93 -39.82 87.43 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.258 -0.901 . . . . 0.35 110.187 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.56 ' NH2' ' OE1' ' A' ' 45' ' ' GLN . 25.3 ptt180 -59.5 -39.41 83.71 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.07 -1.019 . . . . 0.86 109.082 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -67.17 -30.86 70.94 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.146 -0.971 . . . . 0.33 108.976 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.51 -45.5 93.57 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.05 -1.031 . . . . 0.37 109.746 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -56.85 -40.16 75.59 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.867 -1.145 . . . . 3.24 107.968 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.412 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 44.0 ttp180 -65.61 -37.35 86.37 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.69 -0.856 . . . . 0.45 108.69 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -61.61 -39.39 91.09 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.216 -0.928 . . . . 0.33 109.87 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.14 -44.19 95.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.085 -1.01 . . . . 0.44 110.607 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.604 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.3 mm-40 -74.31 -14.25 60.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.23 -0.919 . . . . 2.08 111.244 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 55' ' ' LEU . 84.2 mt -92.37 -51.95 4.9 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.472 -1.392 . . . . 0.5 112.437 -178.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.537 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 23.2 mmm180 -104.65 11.39 34.16 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.827 -1.17 . . . . 2.21 112.585 -177.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 65.2 m-70 -146.89 -77.96 0.17 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.247 -1.533 . . . . 0.67 110.714 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -77.49 21.91 0.26 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.044 -1.035 . . . . 0.88 110.233 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -72.64 -6.7 46.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.472 -0.768 . . . . 1.07 110.507 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.556 ' CD ' ' H ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -88.61 147.18 38.91 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 120.705 -1.247 . . . . 3.65 109.368 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -72.57 144.57 40.34 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.267 1.978 . . . . 2.33 112.497 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.34 -155.32 9.43 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.006 -1.238 . . . . 3.27 110.006 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.499 2.011 0 O-C-N 121.44 -1.035 . . . . 5.18 109.326 -179.602 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.561 0 O4'-C1'-N19 110.996 3.995 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.597 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.537 3.422 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.597 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.542 3.842 0 O4'-C1'-N19 110.485 3.356 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.416 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.37 1 O4'-C1'-N19 111.031 4.038 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.416 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.634 1 O4'-C1'-N19 111.006 4.008 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.485 0 O4'-C1'-N19 110.669 3.587 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.574 ' N3 ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.825 3.781 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.471 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.854 0 O4'-C1'-N19 110.308 3.135 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.554 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.612 0 O4'-C1'-N19 110.687 3.609 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.554 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.057 0 O4'-C1'-N19 110.253 3.066 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 1 O4'-C1'-N19 111.012 4.015 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . 0.551 ' H8 ' HO5' ' C' ' 112' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.135 0 O4'-C1'-N19 110.51 3.387 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.469 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.157 0 O4'-C1'-N19 110.456 3.32 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.469 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.937 0 O4'-C1'-N19 110.928 3.91 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.542 0 O4'-C1'-N19 110.515 3.394 . . . . 0.53 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.442 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O4'-C1'-N19 110.689 3.611 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.496 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.378 0 O4'-C1'-N19 110.671 3.588 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.496 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.17 1 O4'-C1'-N19 111.883 5.103 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.446 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.351 0 O4'-C1'-N19 110.799 3.749 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.518 ' C6 ' ' C6 ' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.718 1 O4'-C1'-N19 111.145 4.181 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.518 ' C6 ' ' C6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.045 1 O4'-C1'-N19 111.002 4.002 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.537 0 O4'-C1'-N19 110.288 3.111 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo . . . . . 0 N--CA 1.492 1.423 0 CA-C-O 121.621 0.592 . . . . 7.56 111.755 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -78.45 143.73 36.45 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.397 -0.815 . . . . 7.46 109.584 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.46 52.98 0.51 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.201 -0.937 . . . . 4.04 109.756 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -81.07 100.87 9.24 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.806 -0.813 . . . . 4.49 108.806 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.574 ' NH2' ' N3 ' ' B' ' 107' ' ' ' DA' . 60.3 mtp180 -89.02 102.03 14.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.116 -0.99 . . . . 0.79 109.39 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.94 104.24 16.12 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.116 -0.99 . . . . 0.93 110.836 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -95.65 7.59 45.85 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.146 -0.971 . . . . 2.1 109.765 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.604 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 24.0 t-80 -80.02 -30.12 0.59 Allowed Pre-proline 0 N--CA 1.494 1.771 0 O-C-N 121.22 -0.925 . . . . 3.25 112.693 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 73.9 Cg_exo -51.52 156.05 6.6 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 121.791 1.661 . . . . 1.0 112.122 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.93 170.6 0.99 Allowed 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.444 2.096 . . . . 1.37 111.829 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.98 24.27 72.29 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.996 -1.242 . . . . 1.3 109.996 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 21' ' ' THR . 7.8 t -93.67 88.54 5.87 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.103 -1.233 . . . . 1.05 109.565 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mp0 -79.71 150.48 30.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.181 -0.95 . . . . 2.59 108.906 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -106.07 74.46 0.32 Allowed Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.268 -0.895 . . . . 2.32 110.206 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.5 137.32 54.53 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 121.298 1.332 . . . . 0.86 111.475 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.419 ' HG2' ' NH1' ' A' ' 25' ' ' ARG . 6.1 tpt180 -71.11 -18.72 62.51 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.35 -0.843 . . . . 3.74 110.263 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -65.81 -4.29 6.42 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.02 -1.05 . . . . 0.87 112.218 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.471 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 24.6 mmt180 -104.74 -22.44 13.21 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.809 -1.182 . . . . 1.06 109.237 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 p -100.93 -34.07 9.94 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.292 -0.88 . . . . 0.66 109.461 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -60.03 -36.51 77.43 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.226 -0.921 . . . . 2.82 109.611 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.9 m -56.24 -30.94 63.06 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.018 -1.051 . . . . 0.44 109.457 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.489 ' CG ' HH21 ' A' ' 47' ' ' ARG . 71.7 mm-40 -94.54 138.49 32.37 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.2 -0.937 . . . . 1.3 110.169 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -118.11 153.2 51.26 Favored Pre-proline 0 N--CA 1.494 1.772 0 N-CA-C 108.686 -0.857 . . . . 2.07 108.686 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -42.1 154.14 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.851 1.7 . . . . 0.48 111.378 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.95 141.83 25.81 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.999 -1.063 . . . . 0.27 110.327 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.2 m -117.08 152.14 35.33 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.5 -0.75 . . . . 0.39 109.921 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.7 t -88.77 131.08 42.67 Favored Pre-proline 0 N--CA 1.498 1.941 0 O-C-N 121.153 -0.967 . . . . 0.42 108.999 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.53 -7.54 15.84 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 121.63 1.554 . . . . 0.8 112.736 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 83.3 mt -98.81 -52.66 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.159 -0.963 . . . . 0.53 110.052 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.694 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.1 p -118.32 27.0 9.22 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.286 -0.883 . . . . 0.47 110.731 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 41.96 18.55 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.309 -0.869 . . . . 0.66 111.252 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.694 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.52 136.91 57.66 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.281 -1.377 . . . . 0.38 107.281 178.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.24 114.27 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.009 -1.057 . . . . 0.42 110.77 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.3 mm -110.03 129.69 64.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 N-CA-C 108.009 -1.108 . . . . 0.26 108.009 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' A' ' 44' ' ' ARG . 36.4 mtt-85 -73.13 -65.14 0.84 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.889 -1.132 . . . . 2.05 110.624 -178.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -77.62 137.71 38.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.085 -1.01 . . . . 1.22 110.517 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.8 p -65.15 -37.57 87.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.506 -0.747 . . . . 0.35 109.642 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.489 HH21 ' CG ' ' A' ' 31' ' ' GLU . 12.7 ptp180 -54.6 -43.95 72.65 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.894 -1.129 . . . . 0.86 109.088 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.42 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 83.8 m-20 -63.52 -32.41 73.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.136 -0.978 . . . . 0.33 109.532 179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 tp -55.12 -44.05 74.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.893 -1.129 . . . . 0.37 108.992 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.549 HH11 ' CG ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -59.88 -40.67 89.47 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.089 -1.078 . . . . 3.24 108.089 179.425 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -65.26 -35.06 79.87 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.607 0.717 . . . . 0.45 109.58 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -63.62 -41.73 98.26 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.475 -0.766 . . . . 0.33 109.518 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.01 -40.35 88.93 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.184 -0.947 . . . . 0.44 109.754 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.761 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 92.7 mt-10 -73.7 -27.74 61.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.382 -0.824 . . . . 2.08 111.734 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -92.81 -42.05 9.76 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.761 -1.212 . . . . 0.5 112.081 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.53 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 24.4 mmm180 -106.36 17.79 22.9 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 120.729 -1.232 . . . . 2.21 112.761 -177.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.7 m-70 -155.83 -71.24 0.11 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.371 -1.455 . . . . 0.67 110.424 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -81.91 14.73 2.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.635 -0.665 . . . . 0.88 110.603 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.761 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -72.23 -3.96 26.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.225 -0.922 . . . . 1.07 108.958 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -88.82 147.79 39.91 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.272 -0.892 . . . . 3.65 108.957 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.53 168.73 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.063 1.176 . . . . 2.33 111.881 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -158.78 109.65 0.41 Allowed Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.672 -1.371 . . . . 3.27 109.672 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.501 2.085 0 CA-C-O 117.921 -1.038 . . . . 5.18 109.752 -179.787 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.969 0 O4'-C1'-N19 110.317 3.146 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.639 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.037 0 O4'-C1'-N19 110.808 3.759 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.639 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.487 3.359 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.438 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.939 0 C3'-C2'-C1' 106.882 2.987 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.483 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.94 5.175 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.517 ' N2 ' ' C2 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.914 0 O4'-C1'-N19 110.371 3.213 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.517 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.502 3.378 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.267 1 O4'-C1'-N19 111.595 4.743 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.469 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.884 1 O4'-C1'-N19 111.372 4.465 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.469 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.467 0 O4'-C1'-N19 110.923 3.904 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.469 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.359 1 O4'-C1'-N19 111.299 4.373 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.476 0 O4'-C1'-N19 110.732 3.666 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.568 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.295 0 C3'-C2'-C1' 106.886 2.99 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.568 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.013 1 O4'-C1'-N19 111.41 4.512 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.559 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.119 0 O4'-C1'-N19 110.212 3.015 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.582 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.186 0 C3'-C2'-C1' 107.102 3.145 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.582 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.63 1 O4'-C1'-N19 111.06 4.075 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.541 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.896 1 O4'-C1'-N19 111.739 4.924 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.473 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.755 1 O4'-C1'-N19 111.187 4.233 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.568 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.599 0 O4'-C1'-N19 110.794 3.743 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.568 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.314 1 O4'-C1'-N19 111.016 4.02 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . 0.433 ' H6 ' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.319 0 C3'-C2'-C1' 107.142 3.173 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo . . . . . 0 N--CA 1.491 1.364 0 CA-C-O 121.198 0.416 . . . . 7.56 111.687 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.445 ' CD ' ' H ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -79.89 148.99 31.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 7.46 108.757 179.172 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.71 12.51 0.16 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.976 -1.078 . . . . 4.04 110.41 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.31 112.38 21.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.732 -1.23 . . . . 4.49 108.341 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -94.39 106.47 18.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.258 -0.901 . . . . 0.79 109.062 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.24 124.52 34.94 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.962 -1.086 . . . . 0.93 111.604 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' NZ ' ' CB ' ' A' ' 16' ' ' LYS . 7.8 mtpm? -92.81 12.25 24.21 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.756 -0.831 . . . . 2.1 108.756 178.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 55.3 t-80 -82.31 -30.39 0.51 Allowed Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.164 -0.96 . . . . 3.25 112.589 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.2 Cg_exo -53.97 154.35 17.72 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 121.589 1.526 . . . . 1.0 111.964 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -76.78 -179.49 5.43 Favored 'Trans proline' 0 N--CA 1.502 1.992 0 C-N-CA 123.222 2.615 . . . . 1.37 112.889 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.33 24.54 68.08 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.331 -1.108 . . . . 1.3 110.331 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 21' ' ' THR . 3.3 t -94.1 89.3 5.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.164 -1.198 . . . . 1.05 108.927 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -79.08 154.97 28.99 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.276 -0.89 . . . . 2.59 108.864 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -108.05 75.97 0.57 Allowed Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.462 -0.774 . . . . 2.32 110.242 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.78 142.85 32.62 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.357 1.372 . . . . 0.86 111.031 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -70.95 -8.26 51.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.955 -1.091 . . . . 3.74 110.862 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.8 m -70.3 -6.84 37.97 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.056 -1.027 . . . . 0.87 110.231 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -100.66 -24.85 14.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.327 -0.858 . . . . 1.06 110.086 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.4 p -108.84 -30.98 7.87 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.271 -0.893 . . . . 0.66 109.465 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -62.28 -38.48 89.51 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.05 -1.031 . . . . 2.82 108.727 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.1 m -56.54 -32.97 65.63 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.504 0.669 . . . . 0.44 109.418 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -92.32 147.53 22.85 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.437 -0.789 . . . . 1.3 110.278 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -120.46 152.98 56.0 Favored Pre-proline 0 N--CA 1.498 1.959 0 N-CA-C 108.603 -0.888 . . . . 2.07 108.603 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -48.1 149.93 5.49 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.452 2.101 . . . . 0.48 111.904 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.11 135.14 26.97 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.571 -0.706 . . . . 0.27 110.26 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -115.16 144.8 43.13 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.148 -0.97 . . . . 0.39 110.226 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -77.73 130.83 72.3 Favored Pre-proline 0 C--N 1.303 -1.452 0 N-CA-C 108.701 -0.852 . . . . 0.42 108.701 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.04 -7.11 16.22 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 121.841 1.694 . . . . 0.8 112.1 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.4 mt -100.88 -58.49 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.276 -0.89 . . . . 0.53 111.069 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.5 p -111.18 19.64 18.16 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.186 -0.946 . . . . 0.47 110.759 -178.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 52.22 13.83 0.31 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.244 -0.91 . . . . 0.66 111.591 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.588 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -54.05 134.75 43.77 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.465 -1.309 . . . . 0.38 107.465 178.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -93.41 109.79 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.756 -1.215 . . . . 0.42 109.953 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.2 mm -104.77 128.7 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 107.662 -1.236 . . . . 0.26 107.662 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.446 HH11 ' HG2' ' A' ' 44' ' ' ARG . 19.3 mtt-85 -73.81 -61.82 1.71 Allowed 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.919 -1.113 . . . . 2.05 110.677 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.483 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 91.1 mt-30 -79.21 134.38 36.68 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.025 -1.047 . . . . 1.22 109.522 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -64.12 -30.54 71.6 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.587 -0.845 . . . . 0.35 109.206 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 10.4 ptp180 -57.76 -44.45 86.15 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.828 -1.17 . . . . 0.86 108.811 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.458 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 84.5 m-20 -64.84 -30.7 71.72 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.23 -0.919 . . . . 0.33 109.386 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.7 tp -56.12 -46.64 79.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.037 -1.04 . . . . 0.37 108.693 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -59.87 -40.7 89.55 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.11 -1.071 . . . . 3.24 108.11 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -66.63 -37.23 84.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.467 -0.771 . . . . 0.45 108.976 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -60.13 -39.54 86.62 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 109.29 -0.633 . . . . 0.33 109.29 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.67 -39.93 82.08 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.961 -1.087 . . . . 0.44 109.438 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.799 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 60.8 mm-40 -76.22 -22.18 55.52 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.155 -0.966 . . . . 2.08 112.786 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -93.58 -42.18 9.35 Favored 'General case' 0 N--CA 1.509 2.475 0 O-C-N 120.451 -1.406 . . . . 0.5 112.157 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.535 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.6 mmm180 -106.56 16.44 24.6 Favored 'General case' 0 N--CA 1.507 2.396 0 O-C-N 120.921 -1.112 . . . . 2.21 112.318 -177.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 95.0 m-70 -155.26 -70.95 0.12 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.364 -1.46 . . . . 0.67 111.002 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.439 ' C ' ' H ' ' A' ' 60' ' ' LYS . 57.3 m-85 -80.58 12.99 2.73 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.117 -0.989 . . . . 0.88 109.026 -179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.799 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -75.4 18.54 0.21 Allowed 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 109.179 -0.675 . . . . 1.07 109.179 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -86.92 152.65 53.92 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.331 -0.856 . . . . 3.65 109.162 -179.514 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -74.69 135.41 19.67 Favored 'Trans proline' 0 N--CA 1.489 1.232 0 C-N-CA 121.854 1.702 . . . . 2.33 111.77 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.77 -2.99 89.0 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.831 -1.308 . . . . 3.27 109.831 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.495 1.825 0 O-C-N 121.289 -1.124 . . . . 5.18 109.223 179.538 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.253 0 O4'-C1'-N19 110.466 3.333 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.643 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.874 0 C3'-C2'-C1' 107.256 3.254 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.643 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.222 0 O4'-C1'-N19 110.555 3.443 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.466 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.704 1 O4'-C1'-N19 111.216 4.27 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.456 " O4'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.444 1 O4'-C1'-N19 111.859 5.074 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.538 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.664 0 O4'-C1'-N19 110.419 3.274 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.538 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.018 0 O4'-C1'-N19 110.41 3.262 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.488 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.902 1 O4'-C1'-N19 111.453 4.566 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.517 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.168 0 C3'-C2'-C1' 106.905 3.003 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.517 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.268 0 O4'-C1'-N19 110.578 3.473 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.494 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.413 0 O4'-C1'-N19 110.71 3.637 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 0 O4'-C1'-N19 110.985 3.981 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.496 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.204 0 O4'-C1'-N19 110.59 3.487 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.496 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.46 0 O4'-C1'-N19 110.447 3.308 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.478 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.803 0 O4'-C1'-N19 110.133 2.916 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 0 O4'-C1'-N19 110.489 3.362 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.401 1 O4'-C1'-N19 111.366 4.458 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.508 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.742 1 O4'-C1'-N19 111.599 4.749 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.508 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.904 1 O4'-C1'-N19 111.522 4.652 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.42 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.425 1 O4'-C1'-N19 111.379 4.474 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.006 0 O4'-C1'-N19 110.345 3.182 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.651 0 O4'-C1'-N19 110.577 3.472 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo . . . . . 0 N--CA 1.492 1.43 0 CA-C-O 121.181 0.409 . . . . 7.56 112.752 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.94 143.81 29.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.142 -0.974 . . . . 7.46 109.424 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.21 -112.87 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.085 -1.009 . . . . 4.04 109.036 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -74.55 160.39 30.95 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.036 -1.04 . . . . 4.49 110.079 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -83.95 98.45 9.81 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.058 -1.026 . . . . 0.79 109.693 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.95 110.2 21.44 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.277 -0.89 . . . . 0.93 109.67 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -94.82 5.07 52.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.314 -0.867 . . . . 2.1 110.03 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.595 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.3 t-160 -80.87 -36.7 0.91 Allowed Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.026 -1.046 . . . . 3.25 112.322 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 78.5 Cg_exo -50.41 138.93 38.06 Favored 'Trans proline' 0 N--CA 1.504 2.103 0 C-N-CA 122.692 2.262 . . . . 1.0 113.948 -177.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -47.5 179.23 0.01 OUTLIER 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.07 1.847 . . . . 1.37 113.068 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.73 27.24 61.22 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.94 -1.264 . . . . 1.3 109.94 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.734 HG23 ' O ' ' A' ' 21' ' ' THR . 8.8 t -97.2 90.11 5.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.328 -1.101 . . . . 1.05 109.715 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -77.66 138.46 39.1 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.127 -1.434 . . . . 2.59 107.127 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HZ3' ' HA ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -109.78 77.59 1.09 Allowed Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 121.536 -0.728 . . . . 2.32 111.485 -178.531 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -52.61 145.03 39.8 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 N-CA-C 109.587 -0.967 . . . . 0.86 109.587 177.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -67.58 -22.68 65.37 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.057 -1.027 . . . . 3.74 109.511 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.6 m -68.71 -13.84 62.64 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.501 -0.749 . . . . 0.87 111.956 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.488 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 28.7 mmt180 -76.88 -49.57 15.38 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.535 -1.353 . . . . 1.06 111.453 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -95.32 -30.84 13.73 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.721 -1.237 . . . . 0.66 110.079 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -60.54 -36.0 77.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.831 -1.168 . . . . 2.82 109.707 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 m -59.81 -30.37 68.87 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.261 -0.899 . . . . 0.44 110.029 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -86.79 137.75 32.16 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.943 -1.098 . . . . 1.3 109.989 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -119.37 152.17 52.3 Favored Pre-proline 0 N--CA 1.505 2.292 0 O-C-N 121.587 -0.696 . . . . 2.07 109.644 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -42.61 152.82 0.17 Allowed 'Trans proline' 0 N--CA 1.488 1.196 0 C-N-CA 121.866 1.711 . . . . 0.48 111.767 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.0 139.28 28.96 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.331 -0.856 . . . . 0.27 109.97 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.2 m -117.92 145.58 44.56 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.596 -0.69 . . . . 0.39 110.279 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.6 t -86.08 127.73 60.67 Favored Pre-proline 0 N--CA 1.492 1.651 0 N-CA-C 108.615 -0.883 . . . . 0.42 108.615 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.67 -3.29 13.18 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.641 1.561 . . . . 0.8 112.633 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 75.5 mt -98.39 -48.79 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.305 -0.872 . . . . 0.53 109.957 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.629 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.4 p -124.23 24.62 8.04 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.391 -0.818 . . . . 0.47 110.144 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 46.85 18.69 0.07 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.3 -0.875 . . . . 0.66 111.299 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.629 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.63 138.99 57.56 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.351 -1.351 . . . . 0.38 107.351 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.7 t -99.78 110.87 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.044 -1.035 . . . . 0.42 110.38 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.1 mm -107.03 131.76 56.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 N-CA-C 106.524 -1.658 . . . . 0.26 106.524 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.502 HH11 ' HG2' ' A' ' 44' ' ' ARG . 30.2 mtt-85 -71.58 -63.4 1.13 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.658 -1.276 . . . . 2.05 111.218 -177.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.532 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 92.5 mt-30 -78.73 137.2 37.66 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.23 -0.918 . . . . 1.22 110.614 -178.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.2 p -64.49 -37.35 87.22 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.82 -0.55 . . . . 0.35 110.774 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.532 ' NH2' ' OE1' ' A' ' 45' ' ' GLN . 24.7 ptt180 -59.11 -36.01 74.42 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.479 -1.388 . . . . 0.86 109.274 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -73.37 -23.16 60.15 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.104 -0.997 . . . . 0.33 109.113 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.5 tp -59.78 -48.1 83.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.085 -1.009 . . . . 0.37 108.528 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -59.34 -40.2 85.59 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.644 -1.243 . . . . 3.24 107.644 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -61.28 -36.63 80.58 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.521 0.676 . . . . 0.45 109.682 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -64.67 -36.64 84.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.33 109.472 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.51 -41.09 93.63 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.241 -0.912 . . . . 0.44 110.186 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.648 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 97.3 mt-10 -74.67 -16.18 60.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.293 -0.879 . . . . 2.08 110.888 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.4 mt -95.92 -48.9 5.52 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.869 -1.145 . . . . 0.5 112.553 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.542 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 21.7 mmm180 -105.95 14.81 27.46 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 121.007 -1.058 . . . . 2.21 112.353 -177.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.542 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 84.9 m-70 -150.69 -73.87 0.16 Allowed 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.277 -1.514 . . . . 0.67 111.188 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -79.42 13.01 2.13 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.383 -0.823 . . . . 0.88 109.141 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.47 4.44 3.02 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 109.492 -0.559 . . . . 1.07 109.492 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.68 145.34 36.82 Favored Pre-proline 0 N--CA 1.491 1.595 0 N-CA-C 108.202 -1.036 . . . . 3.65 108.202 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.55 158.55 56.61 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.002 1.801 . . . . 2.33 111.816 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.55 109.7 2.89 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.155 -1.578 . . . . 3.27 109.155 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.501 2.106 0 O-C-N 121.365 -1.08 . . . . 5.18 109.958 -179.537 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.585 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.941 0 O4'-C1'-N19 110.324 3.155 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.543 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.613 0 O4'-C1'-N19 110.846 3.807 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.543 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.708 0 O4'-C1'-N19 110.753 3.691 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.512 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.19 0 O4'-C1'-N19 110.55 3.438 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.941 1 O4'-C1'-N19 111.472 4.591 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.475 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 P--O5' 1.617 2.43 0 O4'-C1'-N19 110.563 3.454 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.475 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.762 1 O4'-C1'-N19 111.212 4.265 . . . . 0.7 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.476 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.165 1 O4'-C1'-N19 111.327 4.408 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.395 1 O4'-C1'-N19 111.231 4.289 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.445 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.61 0 O4'-C1'-N19 110.762 3.702 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.445 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.769 1 O4'-C1'-N19 111.39 4.487 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.952 0 O4'-C1'-N19 110.724 3.655 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.478 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.941 0 O4'-C1'-N19 110.281 3.102 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.478 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.967 0 O4'-C1'-N19 110.857 3.821 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.469 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.029 0 O4'-C1'-N19 110.694 3.618 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.622 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.311 0 O4'-C1'-N19 110.309 3.137 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.622 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.952 1 O4'-C1'-N19 111.375 4.469 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.533 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.118 1 O4'-C1'-N19 111.196 4.245 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.645 1 O4'-C1'-N19 111.144 4.18 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.649 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.527 0 O4'-C1'-N19 110.368 3.21 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.649 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.67 1 O4'-C1'-N19 111.069 4.086 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.996 0 O4'-C1'-N19 110.55 3.438 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo . . . . . 0 N--CA 1.488 1.151 0 CA-C-O 121.055 0.356 . . . . 7.56 112.595 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -76.75 159.15 30.4 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.357 -0.84 . . . . 7.46 109.674 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.88 11.26 0.15 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.48 -0.762 . . . . 4.04 109.01 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -79.36 136.33 36.96 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.317 -0.864 . . . . 4.49 109.639 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -87.23 109.28 19.38 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.705 -0.622 . . . . 0.79 109.368 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.47 130.41 42.31 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.262 -0.899 . . . . 0.93 110.277 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -94.8 1.26 55.38 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.439 -0.788 . . . . 2.1 110.815 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.636 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 45.4 t-80 -83.54 -30.98 0.49 Allowed Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 120.897 -1.127 . . . . 3.25 112.746 -178.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 77.2 Cg_exo -49.24 153.09 4.78 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.223 1.949 . . . . 1.0 112.322 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -73.58 170.09 20.8 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.81 2.34 . . . . 1.37 112.25 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.87 13.99 81.48 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 110.304 -1.119 . . . . 1.3 110.304 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 21' ' ' THR . 9.0 t -91.61 91.41 8.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.951 -1.323 . . . . 1.05 109.492 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -79.72 159.62 26.56 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.777 -0.823 . . . . 2.59 108.777 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -106.37 69.02 0.22 Allowed Pre-proline 0 N--CA 1.499 1.987 0 O-C-N 121.46 -0.775 . . . . 2.32 110.153 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -63.31 134.34 44.79 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 121.538 1.492 . . . . 0.86 111.656 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' A' ' 25' ' ' ARG . 62.5 mtt-85 -75.01 -3.98 35.6 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.3 -0.875 . . . . 3.74 110.212 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -69.97 -15.66 63.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.821 -1.175 . . . . 0.87 109.202 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.476 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 26.5 mmt180 -97.22 -18.08 19.46 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.245 -0.909 . . . . 1.06 109.839 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.5 p -105.56 -30.13 9.71 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.106 -0.996 . . . . 0.66 110.569 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -67.65 -29.63 68.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.898 -1.126 . . . . 2.82 109.136 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 m -60.75 -32.33 71.63 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.797 0.808 . . . . 0.44 108.838 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -93.41 139.24 30.92 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 109.058 -0.719 . . . . 1.3 109.058 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.503 ' OE1' ' N ' ' A' ' 32' ' ' GLN . 0.9 OUTLIER -116.1 150.72 45.65 Favored Pre-proline 0 N--CA 1.502 2.138 0 O-C-N 121.613 -0.679 . . . . 2.07 109.694 -179.66 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -38.73 150.26 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.515 2.143 . . . . 0.48 112.048 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -147.04 132.33 18.47 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.283 -0.886 . . . . 0.27 110.646 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.5 HG22 ' N ' ' A' ' 36' ' ' CYS . 90.8 m -110.47 161.79 15.33 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.626 -0.671 . . . . 0.39 109.282 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.554 ' O ' ' N ' ' A' ' 40' ' ' TYR . 18.0 t -105.86 103.17 42.89 Favored Pre-proline 0 N--CA 1.499 1.995 0 O-C-N 121.566 -0.709 . . . . 0.42 109.472 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.53 -1.31 0.67 Allowed 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 121.812 1.674 . . . . 0.8 113.125 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 75.7 mt -97.4 -46.95 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.027 -1.046 . . . . 0.53 109.321 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 18.3 p -123.93 10.48 8.88 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.386 -0.821 . . . . 0.47 109.05 178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.554 ' N ' ' O ' ' A' ' 36' ' ' CYS . 96.2 m-85 55.57 18.82 2.91 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.534 -0.729 . . . . 0.66 110.361 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.627 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.95 140.03 56.99 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.663 -1.236 . . . . 0.38 107.663 178.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.4 t -95.44 110.03 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.055 -1.028 . . . . 0.42 110.3 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 34' ' ' ALA . 39.1 mm -108.07 129.45 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 106.348 -1.723 . . . . 0.26 106.348 177.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.467 HH11 ' HG2' ' A' ' 44' ' ' ARG . 10.3 mtt-85 -70.4 -61.23 1.85 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.625 -1.297 . . . . 2.05 110.596 -177.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.716 HE22 ' NH2' ' A' ' 47' ' ' ARG . 98.3 mt-30 -77.45 139.7 39.7 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.169 -0.957 . . . . 1.22 109.921 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.5 p -70.35 -40.22 74.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.179 -0.951 . . . . 0.35 109.836 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.716 ' NH2' HE22 ' A' ' 45' ' ' GLN . 27.0 ptt180 -55.3 -41.41 72.32 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.756 -1.215 . . . . 0.86 108.745 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -66.08 -29.87 70.28 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.126 -0.984 . . . . 0.33 109.73 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.458 HD22 ' HB1' ' A' ' 34' ' ' ALA . 60.2 tp -60.0 -44.11 94.75 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.025 -1.047 . . . . 0.37 109.688 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.459 HH11 ' HG2' ' A' ' 50' ' ' ARG . 16.9 ttt-85 -60.02 -41.13 91.52 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.943 -1.098 . . . . 3.24 108.702 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.438 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 42.3 ttp180 -64.61 -34.53 78.48 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.578 -0.849 . . . . 0.45 109.04 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -63.35 -35.59 80.89 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.212 -0.93 . . . . 0.33 109.199 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.38 -48.72 80.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.933 . . . . 0.44 110.253 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.728 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 71.5 mt-10 -68.81 -20.91 64.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.124 -0.985 . . . . 2.08 111.558 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.9 mt -93.17 -32.27 14.46 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.68 -1.263 . . . . 0.5 112.381 -178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.516 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 16.4 mmm-85 -115.53 0.78 13.44 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 120.927 -1.108 . . . . 2.21 112.859 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 60.9 m-70 -146.0 -68.22 0.28 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 120.324 -1.485 . . . . 0.67 110.594 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.7 15.94 0.95 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.063 -1.023 . . . . 0.88 110.181 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.37 -6.4 39.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.287 -0.883 . . . . 1.07 108.962 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -90.24 148.05 38.3 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.087 -1.008 . . . . 3.65 108.726 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.84 128.92 12.88 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.328 2.019 . . . . 2.33 110.826 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.62 -7.25 88.64 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.803 -1.319 . . . . 3.27 109.803 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 117.787 -1.101 . . . . 5.18 109.059 179.748 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.963 0 O4'-C1'-N19 110.602 3.502 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.431 0 O4'-C1'-N19 110.491 3.364 . . . . 0.77 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.552 0 O4'-C1'-N19 109.988 2.735 . . . . 0.65 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.561 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.837 3.797 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.561 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.543 3.958 1 O4'-C1'-N19 111.198 4.247 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.651 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.74 0 C3'-C2'-C1' 107.033 3.095 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.651 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.038 0 O4'-C1'-N19 110.393 3.241 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.521 " O5'" H2'' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.116 0 O4'-C1'-N19 110.954 3.942 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.454 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.938 1 O4'-C1'-N19 111.266 4.333 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.505 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.961 0 C3'-C2'-C1' 107.129 3.164 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.505 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.365 1 O4'-C1'-N19 111.146 4.182 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.436 0 O4'-C1'-N19 110.637 3.546 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 0 C3'-C2'-C1' 106.694 2.853 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.547 H2'' " O5'" ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.016 0 O4'-C1'-N19 110.842 3.802 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.547 " O5'" H2'' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.401 0 O4'-C1'-N19 110.222 3.027 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.511 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.059 0 O4'-C1'-N19 110.858 3.823 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.512 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.347 0 O4'-C1'-N19 110.936 3.921 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.512 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.465 1 O4'-C1'-N19 111.653 4.817 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.331 1 O4'-C1'-N19 111.162 4.202 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.414 0 O4'-C1'-N19 110.659 3.574 . . . . 0.68 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.683 0 O4'-C1'-N19 110.392 3.24 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.705 0 C3'-C2'-C1' 106.972 3.051 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo . . . . . 0 N--CA 1.492 1.43 0 CA-C-O 121.167 0.403 . . . . 7.56 111.689 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -79.26 139.78 37.8 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.108 -0.995 . . . . 7.46 108.492 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.35 -72.99 0.1 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.175 -0.953 . . . . 4.04 109.278 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -155.73 109.93 2.85 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.011 -1.056 . . . . 4.49 109.666 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -88.88 97.52 11.22 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.951 -1.093 . . . . 0.79 108.721 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.41 137.11 36.88 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.214 -0.929 . . . . 0.93 110.989 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -93.46 6.67 47.4 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.54 -0.725 . . . . 2.1 109.343 178.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.594 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 15.5 t60 -77.95 -30.91 0.76 Allowed Pre-proline 0 N--CA 1.495 1.812 0 O-C-N 121.181 -0.949 . . . . 3.25 112.699 -177.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.6 Cg_exo -53.51 152.31 21.38 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 121.722 1.615 . . . . 1.0 111.744 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -78.0 176.83 9.52 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.779 2.32 . . . . 1.37 112.893 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.23 37.97 54.43 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.157 -1.177 . . . . 1.3 110.157 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 21' ' ' THR . 15.1 t -88.55 99.34 12.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.044 -1.268 . . . . 1.05 109.36 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -82.14 145.02 30.35 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.602 -0.888 . . . . 2.59 108.602 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.508 ' HB3' ' HZ3' ' A' ' 23' ' ' LYS . 7.7 mmmm -106.77 72.36 0.3 Allowed Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 121.526 -0.734 . . . . 2.32 111.22 -178.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.88 136.79 33.55 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.548 1.498 . . . . 0.86 111.667 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.55 HH11 ' HG2' ' A' ' 25' ' ' ARG . 20.7 mtt-85 -72.51 -10.02 59.28 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.329 -0.857 . . . . 3.74 110.096 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -72.01 1.06 7.89 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.093 -1.004 . . . . 0.87 111.054 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -101.1 -26.84 13.55 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.712 -1.243 . . . . 1.06 109.503 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 p -111.07 -33.24 6.53 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.545 -0.722 . . . . 0.66 110.089 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' O ' ' OE1' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -61.13 -40.0 92.15 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.463 -0.773 . . . . 2.82 110.133 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.3 m -60.6 -30.81 70.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.353 -0.842 . . . . 0.44 109.224 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -90.34 134.83 34.06 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.442 -0.786 . . . . 1.3 109.803 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -115.02 148.91 41.59 Favored Pre-proline 0 N--CA 1.503 2.18 0 N-CA-C 108.755 -0.832 . . . . 2.07 108.755 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -37.38 155.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.242 0 C-N-CA 122.256 1.971 . . . . 0.48 112.878 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -147.89 132.93 18.21 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.349 -0.844 . . . . 0.27 110.149 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.0 m -112.4 145.61 39.82 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.579 -0.701 . . . . 0.39 109.642 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.29 129.67 54.7 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.123 -0.986 . . . . 0.42 108.522 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -78.58 -5.85 15.05 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 121.571 1.514 . . . . 0.8 112.932 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 38' ' ' ILE . 49.1 mt -99.41 -43.71 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.225 -0.922 . . . . 0.53 110.539 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.5 p -126.95 19.15 7.14 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.204 -0.935 . . . . 0.47 110.33 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 52.93 14.48 0.45 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.465 -0.772 . . . . 0.66 111.727 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.521 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.02 139.94 53.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.541 -1.349 . . . . 0.38 108.233 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.7 t -94.46 116.83 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.061 -1.024 . . . . 0.42 109.993 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' ALA . 30.9 mm -111.92 129.99 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 106.777 -1.564 . . . . 0.26 106.777 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -75.45 -62.6 1.52 Allowed 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.557 -1.34 . . . . 2.05 109.935 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -80.97 133.16 35.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.908 -1.12 . . . . 1.22 110.603 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.8 p -63.99 -28.07 69.56 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.508 -0.745 . . . . 0.35 110.265 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -59.69 -40.04 86.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.543 -1.348 . . . . 0.86 108.358 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -70.8 -26.63 63.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.4 -0.813 . . . . 0.33 109.389 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.7 tp -57.96 -47.33 83.24 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 119.183 -1.007 . . . . 0.37 108.339 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.54 HH11 ' HG2' ' A' ' 50' ' ' ARG . 7.4 mmt-85 -59.03 -40.89 86.39 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.05 -1.031 . . . . 3.24 108.257 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -63.28 -39.27 94.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.444 -0.785 . . . . 0.45 109.195 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -61.16 -36.82 80.83 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.519 -0.738 . . . . 0.33 109.468 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.12 -44.68 96.97 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.929 -1.107 . . . . 0.44 109.447 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.757 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 92.3 mt-10 -70.85 -28.85 64.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.305 -0.872 . . . . 2.08 112.033 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.1 mt -85.91 -48.9 8.3 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.692 -1.255 . . . . 0.5 112.73 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.5 mmm180 -103.37 18.3 22.12 Favored 'General case' 0 N--CA 1.507 2.421 0 O-C-N 120.798 -1.189 . . . . 2.21 112.261 -177.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.488 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 95.3 m-70 -153.6 -76.7 0.11 Allowed 'General case' 0 N--CA 1.502 2.162 0 O-C-N 119.978 -1.702 . . . . 0.67 111.273 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -79.44 20.31 0.56 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.982 -1.074 . . . . 0.88 110.138 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -73.08 1.64 8.64 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 121.585 -0.697 . . . . 1.07 109.54 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -86.86 134.66 36.73 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.044 -1.035 . . . . 3.65 109.185 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -47.08 142.19 11.66 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 121.527 1.485 . . . . 2.33 111.597 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.06 -149.31 0.04 OUTLIER Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.998 -1.641 . . . . 3.27 108.998 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.496 1.831 0 O-C-N 121.219 -1.165 . . . . 5.18 109.904 -179.764 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.43 HO5' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.442 0 O4'-C1'-N19 110.462 3.327 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.543 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.689 0 O4'-C1'-N19 110.62 3.525 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.543 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.299 0 O4'-C1'-N19 110.884 3.855 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.481 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.569 0 O4'-C1'-N19 110.766 3.707 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.481 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.335 1 O4'-C1'-N19 111.739 4.923 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.417 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.331 0 O4'-C1'-N19 110.475 3.344 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.621 H2'' " O5'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.382 0 O4'-C1'-N19 110.465 3.332 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.621 " O5'" H2'' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.675 1 O4'-C1'-N19 111.4 4.5 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.545 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.533 0 C3'-C2'-C1' 106.801 2.929 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.545 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.401 0 O4'-C1'-N19 110.589 3.486 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.704 1 O4'-C1'-N19 111.44 4.549 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.464 0 O4'-C1'-N19 110.464 3.33 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.486 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.538 0 O4'-C1'-N19 110.77 3.713 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.514 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.941 0 O4'-C1'-N19 110.992 3.99 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.514 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.805 0 C3'-C2'-C1' 106.859 2.971 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.574 ' H71' ' OP2' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.945 3.931 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.512 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.932 1 O4'-C1'-N19 112.122 5.403 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.443 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.594 1 O4'-C1'-N19 111.371 4.464 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.443 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.061 0 O4'-C1'-N19 110.646 3.558 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.557 1 O4'-C1'-N19 111.788 4.985 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.233 0 C3'-C2'-C1' 107.084 3.131 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.391 0 O4'-C1'-N19 110.655 3.569 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo . . . . . 0 N--CA 1.492 1.389 0 CA-C-O 121.274 0.447 . . . . 7.56 112.432 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -77.25 142.87 39.31 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.37 -0.831 . . . . 7.46 108.995 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.57 119.24 3.32 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.676 -0.861 . . . . 4.04 108.676 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -156.57 67.85 0.57 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.071 -1.018 . . . . 4.49 110.112 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -83.52 100.59 10.87 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.555 -1.341 . . . . 0.79 108.801 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.14 113.9 26.29 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.299 -0.876 . . . . 0.93 110.293 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -95.97 10.93 35.74 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.395 -0.816 . . . . 2.1 109.811 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.623 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 13.1 t60 -81.38 -28.9 0.49 Allowed Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.226 -0.921 . . . . 3.25 112.466 -179.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 76.5 Cg_exo -50.36 155.91 4.49 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 121.406 1.404 . . . . 1.0 111.006 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.03 179.94 3.98 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.019 1.813 . . . . 1.37 112.143 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.68 15.82 79.28 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.319 -1.512 . . . . 1.3 109.319 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 21' ' ' THR . 8.8 t -91.85 91.61 7.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.362 -1.081 . . . . 1.05 108.983 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -73.68 149.09 42.16 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.576 -0.702 . . . . 2.59 109.475 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -106.66 72.96 0.31 Allowed Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.474 -0.767 . . . . 2.32 110.464 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.25 141.73 63.92 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 121.775 1.65 . . . . 0.86 111.953 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -73.49 -6.51 46.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.131 -0.981 . . . . 3.74 110.113 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -72.02 -7.05 46.55 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.205 -0.935 . . . . 0.87 109.308 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.2 mmt-85 -104.29 -23.54 13.21 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.454 -0.779 . . . . 1.06 109.943 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 p -107.9 -36.47 6.36 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.368 -0.832 . . . . 0.66 109.182 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.97 -42.64 94.57 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.079 -1.013 . . . . 2.82 109.818 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.2 m -55.25 -30.09 59.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.041 -1.037 . . . . 0.44 109.932 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -92.79 137.39 32.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.131 -0.981 . . . . 1.3 109.758 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -117.15 153.66 49.81 Favored Pre-proline 0 N--CA 1.497 1.91 0 N-CA-C 108.278 -1.008 . . . . 2.07 108.278 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.08 153.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 121.414 1.409 . . . . 0.48 112.188 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.51 133.5 22.68 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.511 -0.743 . . . . 0.27 110.209 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 36' ' ' CYS . 38.7 m -111.08 161.46 15.88 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.907 -0.775 . . . . 0.39 108.907 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.447 ' N ' HG22 ' A' ' 35' ' ' THR . 2.9 t -102.76 106.26 49.06 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.381 -0.825 . . . . 0.42 109.179 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.66 -5.78 0.33 Allowed 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 121.607 1.538 . . . . 0.8 112.793 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mt -97.9 -68.5 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 120.915 -1.116 . . . . 0.53 110.243 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.639 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.9 p -104.47 21.45 16.69 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.32 -0.862 . . . . 0.47 109.413 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 47.5 17.78 0.09 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.646 -0.659 . . . . 0.66 111.429 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.639 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.59 141.57 47.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.965 -1.084 . . . . 0.38 108.277 178.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 t -96.41 115.41 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 120.853 -1.154 . . . . 0.42 110.33 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' ALA . 33.1 mm -110.96 124.52 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 N-CA-C 107.235 -1.394 . . . . 0.26 107.235 177.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -69.85 -56.81 6.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.635 -1.291 . . . . 2.05 110.173 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.446 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 95.2 mt-30 -83.2 134.62 34.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.1 -1.0 . . . . 1.22 110.806 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.6 p -64.48 -40.17 95.18 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.437 -0.79 . . . . 0.35 110.928 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -56.87 -36.79 70.48 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.56 -1.338 . . . . 0.86 108.937 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -68.83 -28.11 66.44 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.206 -0.934 . . . . 0.33 109.212 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.49 -46.55 88.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.937 -1.102 . . . . 0.37 109.138 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -57.36 -43.23 83.34 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.872 -1.158 . . . . 3.24 107.872 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -60.41 -38.82 85.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.404 -0.81 . . . . 0.45 109.424 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -60.63 -39.42 88.2 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.488 -0.758 . . . . 0.33 109.911 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.44 -40.47 86.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.909 -1.12 . . . . 0.44 109.173 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.922 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 66.8 mm-40 -74.35 -26.77 60.33 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.612 -0.68 . . . . 2.08 112.236 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.5 mt -92.69 -44.04 8.76 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.641 -1.287 . . . . 0.5 112.793 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 3.5 mmp_? -103.98 20.63 17.84 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 120.418 -1.426 . . . . 2.21 112.745 -178.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.5 m-70 -152.74 -69.36 0.15 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.052 -1.655 . . . . 0.67 111.553 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -78.94 -2.36 39.64 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.51 -1.369 . . . . 0.88 108.599 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.922 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -73.73 -2.1 21.94 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 109.0 -0.741 . . . . 1.07 109.0 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -89.0 136.08 30.97 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.091 -1.006 . . . . 3.65 109.233 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -45.72 168.05 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.013 1.809 . . . . 2.33 112.059 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -149.7 -71.14 0.01 OUTLIER Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.517 -1.433 . . . . 3.27 109.517 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.498 1.957 0 O-C-N 121.281 -1.129 . . . . 5.18 109.343 179.834 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 0 O4'-C1'-N19 110.712 3.639 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.637 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.474 0 O4'-C1'-N19 110.48 3.35 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.637 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.596 0 O4'-C1'-N19 110.666 3.582 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.354 0 O4'-C1'-N19 110.991 3.988 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.413 ' C8 ' ' NE2' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.537 3.293 1 O4'-C1'-N19 111.333 4.416 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.247 0 O4'-C1'-N19 110.41 3.262 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.483 ' N7 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.819 3.773 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.513 ' N7 ' ' NH2' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.426 1 O4'-C1'-N19 111.459 4.574 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.537 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.531 0 O4'-C1'-N19 110.736 3.67 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.537 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.371 0 C3'-C2'-C1' 106.989 3.064 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.512 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.851 0 O4'-C1'-N19 110.479 3.348 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.965 0 O4'-C1'-N19 110.514 3.392 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.545 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.977 0 O4'-C1'-N19 110.285 3.106 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.545 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.729 1 O4'-C1'-N19 111.329 4.412 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.458 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.447 0 C3'-C2'-C1' 106.831 2.951 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.62 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.647 3.559 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.62 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.972 1 O4'-C1'-N19 111.085 4.107 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.607 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.214 1 O4'-C1'-N19 111.407 4.508 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.426 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.348 1 O4'-C1'-N19 111.108 4.135 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.549 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.98 1 O4'-C1'-N19 111.019 4.023 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.549 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.238 1 O4'-C1'-N19 111.397 4.496 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.06 0 O4'-C1'-N19 110.555 3.443 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo . . . . . 0 N--CA 1.491 1.38 0 CA-C-O 121.185 0.41 . . . . 7.56 111.62 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -79.85 5.57 13.36 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.244 -0.91 . . . . 7.46 108.824 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.57 -169.19 2.65 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.429 -0.794 . . . . 4.04 109.68 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -80.61 -143.97 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.365 -0.834 . . . . 4.49 110.093 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.7 mtt-85 -81.56 104.2 11.81 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.477 -0.764 . . . . 0.79 109.96 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.89 111.7 22.83 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.464 -0.773 . . . . 0.93 110.676 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -93.4 10.02 33.98 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.303 -0.873 . . . . 2.1 108.968 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.625 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 9.8 m170 -82.96 -30.32 0.48 Allowed Pre-proline 0 N--CA 1.497 1.888 0 N-CA-C 113.48 0.919 . . . . 3.25 113.48 -177.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.2 Cg_exo -52.04 145.55 33.1 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 121.941 1.761 . . . . 1.0 112.924 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.57 167.7 26.5 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.327 2.018 . . . . 1.37 112.025 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.28 28.7 61.46 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.612 -1.395 . . . . 1.3 109.612 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 21' ' ' THR . 9.2 t -91.65 87.2 6.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.936 -1.332 . . . . 1.05 109.572 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -84.34 139.16 32.47 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.19 -0.944 . . . . 2.59 109.643 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -86.31 116.25 65.13 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.872 . . . . 2.32 109.732 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -86.07 139.63 6.35 Favored 'Trans proline' 0 C--N 1.316 -1.174 0 C-N-CA 122.002 1.801 . . . . 0.86 110.877 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' A' ' 25' ' ' ARG . 30.1 mtt-85 -67.32 -22.92 65.59 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 121.198 -0.939 . . . . 3.74 109.978 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.2 m -66.44 -12.5 57.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.072 -1.017 . . . . 0.87 111.025 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.539 ' CG ' HH11 ' A' ' 27' ' ' ARG . 0.1 OUTLIER -93.35 -19.31 21.46 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.498 -1.377 . . . . 1.06 110.853 -179.513 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.3 p -111.57 -40.32 4.38 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.008 -1.057 . . . . 0.66 109.83 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -59.79 -33.24 71.46 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.027 -1.045 . . . . 2.82 109.195 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.2 m -59.61 -37.76 79.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.336 -0.852 . . . . 0.44 109.964 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.538 ' OE2' ' NH2' ' A' ' 47' ' ' ARG . 67.3 mm-40 -86.86 137.3 32.52 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.905 -1.122 . . . . 1.3 109.029 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -110.26 149.67 40.47 Favored Pre-proline 0 N--CA 1.502 2.163 0 N-CA-C 108.235 -1.024 . . . . 2.07 108.235 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -38.09 154.9 0.03 OUTLIER 'Trans proline' 0 N--CA 1.486 1.072 0 C-N-CA 122.087 1.858 . . . . 0.48 111.527 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.96 128.82 16.35 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.161 -0.962 . . . . 0.27 110.451 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.0 m -112.24 153.26 27.38 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.483 0.659 . . . . 0.39 109.368 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.1 t -91.82 127.39 50.12 Favored Pre-proline 0 N--CA 1.492 1.657 0 N-CA-C 108.677 -0.86 . . . . 0.42 108.677 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.16 -5.01 15.83 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 121.42 1.414 . . . . 0.8 112.419 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -98.09 -42.07 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.179 -0.95 . . . . 0.53 110.384 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.527 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.4 p -132.6 21.62 4.29 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.454 -0.779 . . . . 0.47 110.669 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 51.43 18.01 0.61 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.249 -0.907 . . . . 0.66 111.886 178.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.527 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.7 132.87 54.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.632 -1.292 . . . . 0.38 108.045 178.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.24 109.68 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 120.832 -1.168 . . . . 0.42 110.364 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.9 mm -110.53 125.15 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 107.991 -1.114 . . . . 0.26 107.991 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.543 HH11 ' HG2' ' A' ' 44' ' ' ARG . 22.0 mtt-85 -67.76 -57.3 6.58 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.084 -1.01 . . . . 2.05 111.223 -178.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.413 ' NE2' ' C8 ' ' B' ' 105' ' ' ' DA' . 93.9 mt-30 -80.06 133.87 36.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.019 -1.05 . . . . 1.22 110.377 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.5 p -63.45 -36.9 85.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.192 -0.942 . . . . 0.35 109.372 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.538 ' NH2' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.4 -40.28 86.1 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.013 -1.054 . . . . 0.86 109.667 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -65.68 -30.37 71.05 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.086 -1.009 . . . . 0.33 109.229 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.23 -47.16 87.16 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.119 -0.988 . . . . 0.37 110.195 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -56.98 -40.58 76.8 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.525 -1.36 . . . . 3.24 108.146 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.41 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 39.2 ttp180 -60.79 -39.75 90.07 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.935 -0.765 . . . . 0.45 108.935 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -62.11 -35.17 77.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.567 -0.708 . . . . 0.33 109.793 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.79 -46.76 88.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.14 -0.975 . . . . 0.44 109.528 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.593 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 49.2 mt-10 -72.57 -17.13 61.73 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.277 -0.889 . . . . 2.08 111.984 -179.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.16 -47.08 7.12 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.375 -1.453 . . . . 0.5 112.923 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.495 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 21.4 mmm180 -106.37 15.09 26.52 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 120.653 -1.28 . . . . 2.21 112.516 -177.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.495 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 87.5 m-70 -150.9 -74.25 0.15 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.281 -1.512 . . . . 0.67 111.006 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -78.88 13.19 1.81 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.248 -0.907 . . . . 0.88 108.925 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -67.76 -3.06 8.23 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.385 -0.822 . . . . 1.07 109.1 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -90.06 153.96 47.13 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 121.328 -0.858 . . . . 3.65 109.141 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -49.37 152.05 6.18 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.438 1.425 . . . . 2.33 111.881 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.29 179.18 12.14 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.688 -1.365 . . . . 3.27 109.688 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 117.76 -1.114 . . . . 5.18 108.727 179.716 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.45 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.644 0 O4'-C1'-N19 110.367 3.208 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.429 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.335 0 C3'-C2'-C1' 107.018 3.084 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.572 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.101 0 O4'-C1'-N19 110.459 3.324 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.572 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.692 1 O4'-C1'-N19 111.446 4.558 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.402 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.404 1 O4'-C1'-N19 111.42 4.525 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.245 0 C3'-C2'-C1' 107.106 3.147 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.525 H2'' " O5'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.264 1 O4'-C1'-N19 111.332 4.415 . . . . 0.7 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.525 " O5'" H2'' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.763 1 O4'-C1'-N19 111.045 4.056 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.634 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.403 0 O4'-C1'-N19 110.382 3.227 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.634 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.773 0 C3'-C2'-C1' 106.884 2.989 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.551 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.833 0 O4'-C1'-N19 110.949 3.936 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.144 0 C3'-C2'-C1' 106.979 3.056 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.526 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.54 0 O4'-C1'-N19 110.268 3.085 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.526 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.937 1 O4'-C1'-N19 111.051 4.064 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.502 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.6 0 C3'-C2'-C1' 106.913 3.009 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.502 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.964 0 O4'-C1'-N19 110.637 3.547 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.462 ' OP1' " H4'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.26 1 O4'-C1'-N19 112.108 5.386 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.075 1 O4'-C1'-N19 111.011 4.014 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.504 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 111.015 4.019 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.504 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.996 1 O4'-C1'-N19 111.212 4.265 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.662 0 O4'-C1'-N19 110.592 3.489 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.465 0 O4'-C1'-N19 110.46 3.325 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 N--CA 1.494 1.509 0 CA-C-O 121.498 0.541 . . . . 7.56 112.398 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -149.06 -48.73 0.15 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.571 -0.706 . . . . 7.46 109.244 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.86 111.96 2.57 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.45 -0.781 . . . . 4.04 109.375 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -154.03 17.11 0.5 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.053 -1.029 . . . . 4.49 110.114 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.417 HH22 " H1'" ' B' ' 107' ' ' ' DA' . 19.4 mtt-85 -84.56 97.63 9.69 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.774 -1.204 . . . . 0.79 108.895 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.36 122.47 40.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.602 -0.686 . . . . 0.93 109.206 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -94.62 4.17 54.17 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.287 -0.883 . . . . 2.1 109.816 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.608 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 55.0 t-80 -80.02 -32.75 0.73 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.379 -0.825 . . . . 3.25 112.575 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 50.8 Cg_exo -53.66 145.23 49.63 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 121.935 1.756 . . . . 1.0 112.487 -178.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -75.92 171.54 17.96 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.451 2.101 . . . . 1.37 113.194 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.71 24.69 66.73 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.123 -1.191 . . . . 1.3 110.123 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 21' ' ' THR . 5.0 t -88.48 91.99 9.01 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.866 -1.373 . . . . 1.05 108.89 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -78.45 148.67 33.46 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.528 -0.733 . . . . 2.59 110.27 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -106.3 75.9 0.38 Allowed Pre-proline 0 N--CA 1.501 2.12 0 O-C-N 121.367 -0.833 . . . . 2.32 110.247 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -61.11 143.28 98.83 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.235 1.29 . . . . 0.86 111.494 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' A' ' 25' ' ' ARG . 21.5 mtt-85 -71.84 -9.83 58.89 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.455 -0.778 . . . . 3.74 109.766 -179.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 m -73.02 -6.21 43.98 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.171 -0.956 . . . . 0.87 110.019 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.513 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 23.7 mmt180 -109.99 -26.68 9.6 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.327 -0.858 . . . . 1.06 110.753 -178.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 p -106.08 -33.82 7.75 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.208 -0.933 . . . . 0.66 109.171 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -58.98 -39.58 82.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.027 -1.046 . . . . 2.82 108.731 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.5 m -59.02 -20.26 51.48 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.036 -1.04 . . . . 0.44 109.662 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -88.02 134.33 33.76 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.116 -0.99 . . . . 1.3 110.732 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -116.19 152.87 48.34 Favored Pre-proline 0 N--CA 1.504 2.238 0 N-CA-C 108.937 -0.764 . . . . 2.07 108.937 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.85 150.23 23.52 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 121.757 1.638 . . . . 0.48 111.281 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -141.04 132.43 26.76 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.576 -0.703 . . . . 0.27 110.019 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -115.72 141.36 48.19 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.558 -0.714 . . . . 0.39 109.719 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.9 t -77.51 129.39 77.32 Favored Pre-proline 0 N--CA 1.493 1.701 0 N-CA-C 108.616 -0.883 . . . . 0.42 108.616 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -79.85 -6.93 14.4 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.207 1.271 . . . . 0.8 111.908 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.7 mt -97.3 -53.38 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.453 -0.779 . . . . 0.53 110.39 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.4 p -117.59 21.68 12.85 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.494 -0.754 . . . . 0.47 110.864 -178.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 48.6 16.0 0.1 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.197 -0.939 . . . . 0.66 111.689 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.565 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.18 136.63 57.3 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.593 -1.317 . . . . 0.38 107.469 178.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.13 112.91 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.022 -1.049 . . . . 0.42 110.413 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.8 mm -108.99 129.4 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 107.712 -1.218 . . . . 0.26 107.712 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.443 HH11 ' HG2' ' A' ' 44' ' ' ARG . 21.0 mtt-85 -74.98 -56.82 4.36 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.629 -1.294 . . . . 2.05 110.656 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.492 HE22 ' NH2' ' A' ' 47' ' ' ARG . 93.5 mt-30 -80.42 136.18 36.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.611 -1.305 . . . . 1.22 110.343 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.9 p -67.89 -36.61 80.54 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.361 -0.837 . . . . 0.35 110.052 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.492 ' NH2' HE22 ' A' ' 45' ' ' GLN . 21.6 ptt180 -58.48 -38.56 77.88 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.618 -1.301 . . . . 0.86 108.944 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.49 -35.83 81.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.155 -0.966 . . . . 0.33 108.97 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.404 HD22 ' HB1' ' A' ' 34' ' ' ALA . 44.8 tp -52.2 -45.56 65.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.062 -1.024 . . . . 0.37 109.161 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -60.12 -40.32 89.32 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.671 -1.233 . . . . 3.24 107.671 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -64.38 -36.41 84.06 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.415 0.626 . . . . 0.45 109.529 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -62.41 -38.75 90.89 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.481 -0.762 . . . . 0.33 109.958 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.74 -42.08 92.39 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.024 -1.048 . . . . 0.44 109.032 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.688 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 90.7 mt-10 -73.33 -20.48 60.78 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.888 -1.132 . . . . 2.08 111.161 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.3 mt -84.37 -60.08 2.19 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.707 -1.246 . . . . 0.5 112.835 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.4 mmm180 -105.85 27.91 8.06 Favored 'General case' 0 N--CA 1.511 2.587 0 O-C-N 120.694 -1.254 . . . . 2.21 112.522 -176.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.9 m-70 -151.97 -75.86 0.13 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.139 -1.601 . . . . 0.67 110.93 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -75.96 5.42 6.57 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.144 -0.972 . . . . 0.88 110.046 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -70.41 -3.77 19.23 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.315 -0.866 . . . . 1.07 109.844 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -86.35 151.09 53.15 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.118 -0.989 . . . . 3.65 108.471 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -73.72 142.79 32.74 Favored 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 121.531 1.487 . . . . 2.33 110.802 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.6 147.51 42.95 Favored Glycine 0 N--CA 1.484 1.841 0 N-CA-C 109.72 -1.352 . . . . 3.27 109.72 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.498 1.931 0 O-C-N 121.363 -1.081 . . . . 5.18 109.133 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.535 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.274 0 O4'-C1'-N19 110.663 3.578 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.532 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.309 0 O4'-C1'-N19 110.398 3.247 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.532 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.34 0 O4'-C1'-N19 110.157 2.946 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.448 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.006 1 O4'-C1'-N19 111.683 4.853 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.524 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.54 3.629 0 O4'-C1'-N19 110.81 3.763 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.545 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.808 0 C3'-C2'-C1' 106.928 3.02 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.545 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.261 0 O4'-C1'-N19 110.827 3.783 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.47 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.887 0 O4'-C1'-N19 110.639 3.548 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.579 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.687 0 O4'-C1'-N19 110.653 3.566 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.579 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.835 0 C3'-C2'-C1' 107.411 3.365 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.841 0 O4'-C1'-N19 110.969 3.961 . . . . 0.96 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.898 1 O4'-C1'-N19 111.064 4.08 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.419 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.021 0 C3'-C2'-C1' 106.939 3.028 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.419 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C1'-N19 110.625 3.531 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.424 ' OP2' ' OE2' ' A' ' 31' ' ' GLU . . . . . . . . 1 C5'--C4' 1.544 4.109 0 O4'-C1'-N19 110.053 2.816 . . . . 0.53 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.536 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.549 0 C3'-C2'-C1' 107.098 3.142 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.536 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.499 1 O4'-C1'-N19 111.185 4.231 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.452 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.251 1 O4'-C1'-N19 111.811 5.014 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.106 0 O4'-C1'-N19 110.204 3.004 . . . . 0.64 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.513 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.138 1 O4'-C1'-N19 111.249 4.311 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.513 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.542 3.886 1 O4'-C1'-N19 111.279 4.349 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.814 0 O4'-C1'-N19 110.379 3.224 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo . . . . . 0 N--CA 1.49 1.273 0 CA-C-O 121.115 0.381 . . . . 7.56 111.942 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -88.46 -72.78 0.52 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.603 -0.686 . . . . 7.46 109.941 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.93 12.33 0.15 Allowed 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.654 -0.869 . . . . 4.04 108.654 -179.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -80.5 161.55 24.79 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.641 -0.662 . . . . 4.49 109.439 -179.536 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.471 ' NH1' ' N3 ' ' B' ' 107' ' ' ' DA' . 18.4 mtt-85 -83.53 103.51 12.93 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.217 -0.927 . . . . 0.79 110.514 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.32 124.6 43.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.294 -0.879 . . . . 0.93 109.586 178.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -93.85 5.41 51.74 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.427 -0.795 . . . . 2.1 110.01 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.606 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 28.6 t-80 -78.85 -31.42 0.73 Allowed Pre-proline 0 C--N 1.3 -1.572 0 O-C-N 120.891 -1.131 . . . . 3.25 112.466 -178.272 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 71.7 Cg_exo -49.75 147.8 13.27 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 121.779 1.653 . . . . 1.0 111.458 -178.471 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.18 171.09 18.69 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.982 1.788 . . . . 1.37 112.333 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.62 24.99 61.53 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 110.609 -0.996 . . . . 1.3 110.609 179.379 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.455 ' H ' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER -89.96 88.61 7.38 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.751 -1.441 . . . . 1.05 109.479 -179.711 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -77.76 150.39 34.37 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 121.148 -0.97 . . . . 2.59 109.367 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -107.12 69.5 0.25 Allowed Pre-proline 0 N--CA 1.503 2.213 0 O-C-N 121.259 -0.9 . . . . 2.32 110.692 179.19 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -65.13 141.77 71.11 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 121.289 1.326 . . . . 0.86 110.696 178.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -71.77 -3.88 24.56 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.134 -0.979 . . . . 3.74 109.861 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 m -70.16 -4.93 23.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.428 -0.795 . . . . 0.87 110.491 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.401 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 16.8 mmt180 -103.3 -26.63 12.87 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.873 -1.142 . . . . 1.06 109.678 -179.09 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.3 p -101.87 -36.81 8.52 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.203 -0.935 . . . . 0.66 110.022 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -60.87 -31.6 71.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.447 -0.783 . . . . 2.82 110.086 -179.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.2 m -58.79 -32.97 69.81 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.319 -0.863 . . . . 0.44 108.845 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' OE2' ' OP2' ' C' ' 115' ' ' ' DC' . 76.7 mm-40 -89.72 151.57 21.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.176 -0.953 . . . . 1.3 110.595 -179.371 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.618 ' N ' ' NE2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -118.04 156.06 50.67 Favored Pre-proline 0 N--CA 1.497 1.878 0 N-CA-C 108.022 -1.103 . . . . 2.07 108.022 178.593 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -47.46 157.45 0.81 Allowed 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.527 1.485 . . . . 0.48 111.635 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.25 136.16 26.15 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.987 -1.071 . . . . 0.27 110.498 -179.435 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.7 m -117.77 146.94 43.45 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 108.719 -0.845 . . . . 0.39 108.719 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -86.21 129.22 54.54 Favored Pre-proline 0 C--N 1.296 -1.721 0 O-C-N 121.382 -0.824 . . . . 0.42 109.145 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.08 -2.55 12.64 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 120.938 1.092 . . . . 0.8 112.488 -179.479 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.2 mt -99.75 -56.21 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.241 -0.912 . . . . 0.53 110.386 -179.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.1 p -114.7 14.54 17.55 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.602 -0.686 . . . . 0.47 110.243 -179.062 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 55.5 18.19 2.57 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.173 -0.954 . . . . 0.66 110.936 179.284 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.638 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.39 141.02 43.66 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.634 -1.247 . . . . 0.38 107.634 178.376 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.7 t -96.79 112.78 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.68 -1.263 . . . . 0.42 110.125 -178.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.1 mm -110.23 130.45 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 N-CA-C 108.17 -1.048 . . . . 0.26 108.17 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -75.83 -63.4 1.31 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.67 -1.269 . . . . 2.05 109.782 -178.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.524 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 98.4 mt-30 -77.86 133.05 38.22 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.33 -0.856 . . . . 1.22 111.042 -179.704 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.8 p -62.18 -35.81 79.96 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.551 -0.718 . . . . 0.35 111.377 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.3 ptp180 -58.22 -39.61 79.51 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.546 -1.346 . . . . 0.86 108.746 -179.376 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.404 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 88.4 m-20 -67.76 -30.09 69.46 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.499 -0.75 . . . . 0.33 109.57 179.476 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.81 -44.75 86.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.048 -1.033 . . . . 0.37 109.15 -179.48 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -61.7 -39.18 90.58 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.752 -1.218 . . . . 3.24 108.403 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -65.53 -36.33 83.5 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.693 0.759 . . . . 0.45 109.466 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -63.32 -32.6 74.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.352 -0.843 . . . . 0.33 110.14 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 58' ' ' PHE . 90.0 mt -65.72 -40.81 92.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.542 -1.349 . . . . 0.44 109.371 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 49.2 mt-10 -72.13 -27.85 62.88 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.419 -0.8 . . . . 2.08 111.192 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.0 mt -91.05 -21.28 21.32 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.647 -1.283 . . . . 0.5 113.297 -177.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.536 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 24.6 mmm180 -127.01 -0.95 6.54 Favored 'General case' 0 N--CA 1.513 2.712 0 O-C-N 120.663 -1.273 . . . . 2.21 112.246 -178.15 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 53.0 m-70 -146.69 -63.33 0.3 Allowed 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.036 -1.665 . . . . 0.67 110.237 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 53' ' ' LEU . 29.1 m-85 -78.37 17.15 0.68 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.185 -0.947 . . . . 0.88 108.642 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -70.61 -3.72 19.68 Favored 'General case' 0 C--N 1.297 -1.71 0 C-N-CA 119.827 -0.749 . . . . 1.07 109.353 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -90.69 150.09 41.74 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.269 -0.894 . . . . 3.65 109.503 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.54 161.15 39.64 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 121.894 1.729 . . . . 2.33 112.254 179.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.51 -173.63 17.93 Favored Glycine 0 N--CA 1.488 2.112 0 N-CA-C 110.092 -1.203 . . . . 3.27 110.092 -179.432 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 N--CA 1.502 2.125 0 CA-C-O 117.931 -1.033 . . . . 5.18 109.862 -179.929 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 0 O4'-C1'-N19 110.903 3.878 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.468 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.744 0 O4'-C1'-N19 110.917 3.896 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.468 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.363 0 O4'-C1'-N19 110.682 3.602 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.446 ' C2 ' ' C2 ' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.862 0 O4'-C1'-N19 110.897 3.872 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.446 ' C2 ' ' C2 ' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 P--O5' 1.608 1.534 1 O4'-C1'-N19 111.3 4.375 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.432 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.297 0 C3'-C2'-C1' 107.206 3.219 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.541 ' N3 ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.25 1 O4'-C1'-N19 111.42 4.525 . . . . 0.7 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.507 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.781 0 O4'-C1'-N19 110.599 3.499 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.518 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.094 0 C3'-C2'-C1' 106.876 2.983 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.518 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.85 0 C3'-C2'-C1' 106.999 3.071 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.445 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.368 0 O4'-C1'-N19 110.577 3.471 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . 0.467 " H2'" ' H72' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.891 3.864 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.614 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.741 0 C3'-C2'-C1' 107.023 3.088 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.614 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.832 1 O4'-C1'-N19 111.043 4.054 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.465 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.856 0 C3'-C2'-C1' 106.806 2.933 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.506 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O4'-C1'-N19 110.426 3.282 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.506 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.735 1 O4'-C1'-N19 111.144 4.18 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.434 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.939 1 O4'-C1'-N19 111.158 4.198 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.418 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.506 1 O4'-C1'-N19 111.003 4.004 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.418 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.406 1 O4'-C1'-N19 111.472 4.59 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.41 ' C5 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.544 4.112 0 O4'-C1'-N19 110.889 3.861 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.866 0 O4'-C1'-N19 110.546 3.432 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo . . . . . 0 N--CA 1.493 1.457 0 CA-C-O 121.541 0.559 . . . . 7.56 112.038 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -82.63 132.11 35.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.456 -0.777 . . . . 7.46 109.177 179.27 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.52 115.58 2.83 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.418 -0.801 . . . . 4.04 109.343 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.483 ' CD ' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -83.41 130.65 35.05 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.967 -1.083 . . . . 4.49 108.522 179.189 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.541 ' NH2' ' N3 ' ' B' ' 107' ' ' ' DA' . 54.2 mtp180 -87.45 93.62 9.46 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.379 -0.971 . . . . 0.79 108.379 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.62 133.68 34.94 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.462 -0.774 . . . . 0.93 110.216 -179.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -89.0 16.18 7.44 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.978 -0.749 . . . . 2.1 108.978 178.639 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 13.7 t60 -80.8 -31.43 0.61 Allowed Pre-proline 0 N--CA 1.495 1.804 0 O-C-N 121.226 -0.921 . . . . 3.25 112.383 -178.375 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 82.0 Cg_exo -51.24 141.69 38.63 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 121.963 1.775 . . . . 1.0 111.964 -178.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.5 174.86 12.15 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.256 1.971 . . . . 1.37 111.423 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.57 25.38 63.15 Favored Glycine 0 N--CA 1.491 2.347 0 C-N-CA 119.909 -1.139 . . . . 1.3 110.533 179.034 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.34 93.12 8.9 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.25 -1.147 . . . . 1.05 108.568 179.135 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.98 154.59 39.24 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.533 -0.914 . . . . 2.59 108.533 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -105.93 71.86 0.25 Allowed Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 121.405 -0.809 . . . . 2.32 110.349 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -69.6 136.46 33.48 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.694 1.596 . . . . 0.86 110.372 179.238 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.562 HH11 ' HG2' ' A' ' 25' ' ' ARG . 18.0 mtt-85 -73.84 -6.16 45.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.096 -1.003 . . . . 3.74 110.619 -179.146 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -73.95 -7.64 53.11 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.334 -0.854 . . . . 0.87 111.412 -179.031 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.507 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 27.6 mmt180 -98.89 -26.94 14.12 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.865 -1.147 . . . . 1.06 109.432 -179.377 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 p -105.27 -44.19 4.81 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.281 -0.887 . . . . 0.66 109.511 179.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -57.12 -34.2 68.13 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.39 -0.819 . . . . 2.82 109.891 -178.757 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.5 m -55.33 -29.99 59.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.916 -1.115 . . . . 0.44 109.606 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.539 ' CG ' HH21 ' A' ' 47' ' ' ARG . 72.8 mm-40 -93.73 143.77 26.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.901 -1.124 . . . . 1.3 110.604 -179.179 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -115.95 150.49 45.12 Favored Pre-proline 0 N--CA 1.501 2.08 0 N-CA-C 108.843 -0.799 . . . . 2.07 108.843 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -37.23 157.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.445 2.096 . . . . 0.48 112.4 -179.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.88 134.63 16.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.214 -0.929 . . . . 0.27 110.964 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 36' ' ' CYS . 98.5 m -115.71 162.06 17.81 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.415 -0.803 . . . . 0.39 110.089 179.222 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.583 ' N ' HG22 ' A' ' 35' ' ' THR . 7.8 t -105.22 102.9 39.35 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.547 -0.72 . . . . 0.42 109.643 179.583 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -55.66 -2.94 0.34 Allowed 'Trans proline' 0 N--CA 1.504 2.136 0 C-N-CA 122.194 1.93 . . . . 0.8 113.737 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 89.4 mt -98.01 -55.13 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.834 -1.166 . . . . 0.53 110.278 -179.448 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.9 p -115.92 6.48 14.22 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.472 -0.768 . . . . 0.47 109.506 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 61.78 22.99 13.42 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 122.069 -0.394 . . . . 0.66 111.81 178.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.57 135.62 57.81 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.929 -1.137 . . . . 0.38 107.929 177.786 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.3 109.67 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.079 -1.013 . . . . 0.42 109.613 -179.443 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mm -110.88 129.35 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 107.881 -1.155 . . . . 0.26 107.881 178.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.533 HH11 ' HG2' ' A' ' 44' ' ' ARG . 25.3 mtt-85 -73.13 -61.8 1.69 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.944 -1.097 . . . . 2.05 110.35 -178.78 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -76.34 135.65 39.54 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.647 -1.283 . . . . 1.22 110.181 -179.513 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.7 p -67.23 -36.78 82.38 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.605 -0.685 . . . . 0.35 110.587 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.539 HH21 ' CG ' ' A' ' 31' ' ' GLU . 11.9 ptp180 -58.2 -37.65 75.22 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.094 -1.004 . . . . 0.86 108.938 -179.17 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.25 -32.28 71.38 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.374 -0.829 . . . . 0.33 110.215 179.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.0 tp -56.81 -46.37 81.65 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.767 -1.208 . . . . 0.37 109.185 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -56.84 -40.02 75.32 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 107.857 -1.164 . . . . 3.24 107.857 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -63.74 -40.4 96.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.373 -0.829 . . . . 0.45 108.907 178.635 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -59.47 -38.53 81.02 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.546 -0.721 . . . . 0.33 109.102 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 58' ' ' PHE . 88.8 mt -57.6 -40.54 79.33 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.941 -1.099 . . . . 0.44 108.834 179.432 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.623 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 76.5 mm-40 -72.17 -19.74 61.71 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.314 -0.866 . . . . 2.08 110.792 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.7 mt -83.88 -57.69 3.1 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.752 -1.218 . . . . 0.5 112.604 -178.11 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.593 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 22.7 mmm180 -105.81 9.64 32.85 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.827 -1.171 . . . . 2.21 112.638 -176.623 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 31.0 m-70 -143.72 -70.6 0.31 Allowed 'General case' 0 N--CA 1.511 2.613 0 O-C-N 120.571 -1.331 . . . . 0.67 110.675 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 53' ' ' LEU . 31.6 m-85 -80.74 22.42 0.6 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.175 -0.953 . . . . 0.88 109.543 -179.458 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -74.26 14.28 0.46 Allowed 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.481 -0.762 . . . . 1.07 110.213 -179.782 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -85.9 144.82 39.88 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.108 -0.995 . . . . 3.65 109.258 -179.743 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -47.16 168.45 0.06 OUTLIER 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 121.53 1.487 . . . . 2.33 111.727 178.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -122.93 140.04 12.85 Favored Glycine 0 N--CA 1.498 2.816 0 N-CA-C 109.561 -1.415 . . . . 3.27 109.561 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 N--CA 1.505 2.318 0 CA-C-O 117.694 -1.146 . . . . 5.18 109.916 -179.972 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.403 HO5' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C1'-N19 110.295 3.119 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.434 3.292 . . . . 0.77 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.42 ' C5 ' ' NH2' ' A' ' 51' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.488 0 O4'-C1'-N19 110.707 3.633 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.997 0 O4'-C1'-N19 110.686 3.607 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.898 1 O4'-C1'-N19 111.09 4.112 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.548 0 C3'-C2'-C1' 106.948 3.034 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 0 C3'-C2'-C1' 106.827 2.948 . . . . 0.7 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.401 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.726 1 O4'-C1'-N19 111.07 4.088 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.708 0 O4'-C1'-N19 110.832 3.79 . . . . 0.87 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.549 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.774 0 O4'-C1'-N19 110.783 3.729 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.549 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.718 3.647 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 1 O4'-C1'-N19 111.337 4.421 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.501 ' H71' ' OP2' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.604 0 C3'-C2'-C1' 106.981 3.058 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.404 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.2 0 O4'-C1'-N19 110.829 3.787 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.741 0 C3'-C2'-C1' 106.709 2.863 . . . . 0.53 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.99 3.988 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.512 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 111.019 4.023 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.512 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.308 1 O4'-C1'-N19 111.79 4.987 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.563 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.049 4.062 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.563 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.827 1 O4'-C1'-N19 111.253 4.316 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.511 0 O4'-C1'-N19 110.478 3.347 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 0 O4'-C1'-N19 110.345 3.181 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo . . . . . 0 N--CA 1.498 1.756 0 CA-C-O 121.432 0.513 . . . . 7.56 111.723 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -79.5 145.8 33.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.571 -0.706 . . . . 7.46 109.62 179.585 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.9 -5.62 0.07 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.315 -0.866 . . . . 4.04 109.461 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -82.4 178.19 8.36 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.144 -0.973 . . . . 4.49 108.947 179.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -80.99 97.8 7.64 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.323 -0.861 . . . . 0.79 108.839 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.0 136.82 32.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.508 -0.745 . . . . 0.93 110.341 -179.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -90.51 9.34 29.76 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.758 -0.83 . . . . 2.1 108.758 179.106 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.61 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.5 t60 -81.22 -30.2 0.54 Allowed Pre-proline 0 N--CA 1.501 2.096 0 N-CA-C 113.484 0.92 . . . . 3.25 113.484 -177.519 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 56.8 Cg_exo -53.32 144.51 49.03 Favored 'Trans proline' 0 N--CA 1.501 1.942 0 C-N-CA 122.444 2.096 . . . . 1.0 113.056 -178.397 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.76 175.43 10.31 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.502 2.135 . . . . 1.37 112.059 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.2 27.04 64.78 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.081 -1.207 . . . . 1.3 110.081 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -90.56 96.18 10.52 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.96 -1.318 . . . . 1.05 108.85 179.865 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -72.46 152.0 42.21 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.226 -0.921 . . . . 2.59 109.26 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HZ3' ' HA ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -106.1 76.41 0.38 Allowed Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 121.488 -0.757 . . . . 2.32 111.524 -178.459 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.76 132.98 17.88 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 121.143 1.229 . . . . 0.86 111.084 178.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.481 HH11 ' HG2' ' A' ' 25' ' ' ARG . 5.2 mmt-85 -76.49 -6.61 52.52 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.328 -0.857 . . . . 3.74 109.637 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.4 m -72.73 -7.51 50.9 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.136 -0.978 . . . . 0.87 109.905 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' A' ' 27' ' ' ARG . 7.6 mmt-85 -95.93 -29.18 14.31 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.123 -0.985 . . . . 1.06 110.608 -179.259 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 p -107.2 -43.63 4.55 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.291 -0.881 . . . . 0.66 109.775 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.95 -39.82 86.88 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.098 -1.001 . . . . 2.82 109.243 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -56.59 -27.58 58.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.475 -0.765 . . . . 0.44 110.016 -179.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -89.31 146.99 24.34 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.054 -1.029 . . . . 1.3 109.52 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -121.61 151.92 57.72 Favored Pre-proline 0 N--CA 1.507 2.398 0 O-C-N 121.257 -0.902 . . . . 2.07 109.4 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -43.91 153.42 0.29 Allowed 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.969 1.779 . . . . 0.48 112.584 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -142.48 134.28 26.95 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.279 -0.888 . . . . 0.27 110.271 179.779 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.9 m -115.55 142.33 46.86 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.677 0.751 . . . . 0.39 109.605 179.373 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.5 t -79.69 132.82 60.26 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.403 -0.962 . . . . 0.42 108.403 179.124 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.81 -8.34 15.68 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 121.537 1.492 . . . . 0.8 111.953 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -96.63 -56.17 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.292 -0.88 . . . . 0.53 110.995 -178.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.489 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.6 p -115.97 19.19 15.21 Favored 'General case' 0 N--CA 1.508 2.472 0 O-C-N 121.248 -0.907 . . . . 0.47 111.274 -178.624 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 53.4 20.2 1.9 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.955 -1.09 . . . . 0.66 111.453 178.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.489 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.5 141.2 55.32 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 106.66 -1.607 . . . . 0.38 106.66 177.873 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.3 t -97.42 115.87 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 120.837 -1.164 . . . . 0.42 109.756 -179.336 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.537 ' O ' ' N ' ' A' ' 34' ' ' ALA . 38.8 mm -110.84 130.75 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 108.163 -1.051 . . . . 0.26 108.163 179.033 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -75.78 -64.3 1.11 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.664 -1.273 . . . . 2.05 110.662 -178.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -79.71 138.52 37.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.022 -1.049 . . . . 1.22 109.962 -179.514 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.5 p -63.01 -38.93 93.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.172 -0.955 . . . . 0.35 109.895 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 12.2 ptp180 -51.39 -41.82 60.97 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.812 -1.18 . . . . 0.86 109.525 -179.462 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.445 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 93.3 m-20 -67.29 -27.67 67.37 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.435 -0.791 . . . . 0.33 110.022 179.586 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.22 -46.58 88.08 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.994 -1.066 . . . . 0.37 108.985 -179.104 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -59.95 -40.0 87.51 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 119.097 -1.041 . . . . 3.24 108.809 179.685 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 45.0 ttp180 -65.91 -31.4 72.3 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.549 -0.861 . . . . 0.45 109.779 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -65.86 -40.77 91.98 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.313 -0.867 . . . . 0.33 109.704 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.09 -39.21 85.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.246 -0.909 . . . . 0.44 109.281 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.821 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 94.3 mt-10 -71.36 -28.71 64.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.511 -0.743 . . . . 2.08 112.119 -178.919 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -91.69 -43.98 9.28 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.712 -1.242 . . . . 0.5 112.812 -177.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 20.6 mmm-85 -106.0 17.5 23.51 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 120.835 -1.165 . . . . 2.21 113.037 -177.118 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.0 m-70 -154.6 -68.54 0.13 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.138 -1.601 . . . . 0.67 110.413 179.131 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -80.47 4.76 17.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.137 -0.977 . . . . 0.88 110.179 -179.127 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.821 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -68.7 -16.52 63.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.087 -1.008 . . . . 1.07 108.671 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -88.47 148.93 43.4 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.378 -0.826 . . . . 3.65 109.054 179.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.67 153.82 28.3 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.346 2.031 . . . . 2.33 112.071 -179.505 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.68 -32.05 38.97 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.738 -1.345 . . . . 3.27 109.738 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.021 -1.282 . . . . 5.18 109.187 179.596 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.488 3.359 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.485 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.525 0 C3'-C2'-C1' 106.96 3.043 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.545 ' C6 ' ' NH2' ' A' ' 51' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.103 0 O4'-C1'-N19 110.241 3.051 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.425 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.44 1.538 1 O4'-C1'-N19 111.216 4.27 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.425 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.709 1 O4'-C1'-N19 111.022 4.027 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.731 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.464 0 O4'-C1'-N19 110.771 3.714 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.731 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.838 0 O4'-C1'-N19 110.676 3.595 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.453 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.405 3.256 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 0 O4'-C1'-N19 110.642 3.553 . . . . 0.87 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.559 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.402 0 O4'-C1'-N19 110.445 3.306 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.559 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.306 0 O4'-C1'-N19 110.934 3.918 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.876 0 O4'-C1'-N19 110.738 3.673 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.527 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.64 3.55 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.527 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.98 1 O4'-C1'-N19 111.289 4.362 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.245 0 O4'-C1'-N19 110.636 3.544 . . . . 0.53 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.649 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.937 0 O4'-C1'-N19 110.56 3.45 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.649 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.444 1 O4'-C1'-N19 111.474 4.593 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.518 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 P--O5' 1.612 1.876 1 O4'-C1'-N19 111.809 5.012 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.418 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.677 0 O4'-C1'-N19 110.598 3.497 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.404 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.075 1 O4'-C1'-N19 111.002 4.003 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.401 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.104 0 C3'-C2'-C1' 107.099 3.142 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . 0.401 " O5'" H2'' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.613 0 C3'-C2'-C1' 106.973 3.052 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 N--CA 1.5 1.875 0 CA-C-O 121.105 0.377 . . . . 7.56 112.739 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -77.81 132.59 38.11 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.011 -1.055 . . . . 7.46 109.778 -179.098 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.66 149.83 49.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.369 -0.832 . . . . 4.04 110.104 -179.74 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -154.92 112.53 3.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.237 -0.915 . . . . 4.49 109.473 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -88.91 105.06 17.51 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.05 -1.031 . . . . 0.79 111.131 -179.656 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.59 132.31 36.97 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.308 -0.87 . . . . 0.93 109.135 178.666 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -90.85 8.09 36.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.287 -0.883 . . . . 2.1 109.777 179.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.612 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 23.7 m80 -82.64 -28.76 0.45 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.277 -0.889 . . . . 3.25 113.351 -177.717 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.3 Cg_exo -50.88 144.87 25.81 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.643 1.562 . . . . 1.0 112.583 -177.435 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.65 171.68 17.29 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.719 2.279 . . . . 1.37 112.124 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.65 28.73 54.45 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.935 -1.266 . . . . 1.3 109.935 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.736 HG23 ' O ' ' A' ' 21' ' ' THR . 13.1 t -94.01 94.9 8.7 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.301 -1.117 . . . . 1.05 108.913 179.023 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -81.39 141.7 33.7 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.228 -1.027 . . . . 2.59 108.228 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.58 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -106.38 76.04 0.39 Allowed Pre-proline 0 N--CA 1.496 1.825 0 O-C-N 121.433 -0.792 . . . . 2.32 111.741 -178.653 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -69.62 149.08 67.31 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.047 1.832 . . . . 0.86 109.295 177.406 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HG2' ' NH1' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -74.31 -7.74 53.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.833 -1.167 . . . . 3.74 109.953 -179.132 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -72.87 -0.94 14.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.222 -0.924 . . . . 0.87 111.633 -178.438 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.453 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 27.6 mmt180 -99.02 -28.49 13.38 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.701 -1.249 . . . . 1.06 111.097 -179.328 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -112.77 -37.56 4.83 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.163 -0.961 . . . . 0.66 109.856 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -59.83 -39.82 86.4 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.327 -0.858 . . . . 2.82 110.2 -178.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -56.12 -30.09 61.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.51 -0.744 . . . . 0.44 110.842 -179.362 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.534 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 78.1 mm-40 -83.11 141.91 31.64 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.082 -1.011 . . . . 1.3 110.004 -179.614 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -118.35 149.5 46.04 Favored Pre-proline 0 N--CA 1.506 2.35 0 O-C-N 121.701 -0.624 . . . . 2.07 109.971 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -39.72 153.93 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.974 1.783 . . . . 0.48 113.088 178.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.62 137.09 21.27 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.29 -0.882 . . . . 0.27 110.277 179.003 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.4 m -117.22 147.94 42.06 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.418 -0.801 . . . . 0.39 109.923 179.278 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.1 t -83.79 125.5 73.08 Favored Pre-proline 0 N--CA 1.496 1.866 0 O-C-N 121.316 -0.865 . . . . 0.42 108.686 179.321 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -78.95 4.72 6.26 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.242 1.295 . . . . 0.8 111.774 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mt -106.39 -50.67 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.468 -0.77 . . . . 0.53 110.729 -178.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.8 p -122.31 15.5 10.53 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.27 -0.894 . . . . 0.47 109.532 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 55.62 17.07 2.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.703 -0.623 . . . . 0.66 111.333 179.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.611 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.19 139.49 52.44 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.407 -1.331 . . . . 0.38 107.407 177.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.12 117.0 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 120.803 -1.185 . . . . 0.42 109.971 -179.342 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.3 mm -113.91 131.35 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 N-CA-C 107.457 -1.312 . . . . 0.26 107.457 178.72 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -75.0 -60.03 2.47 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.695 -1.253 . . . . 2.05 110.309 -179.027 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -78.96 133.61 36.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.989 -1.07 . . . . 1.22 111.188 -178.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -62.96 -35.76 81.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.451 -0.781 . . . . 0.35 109.647 179.212 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.534 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.71 -38.91 82.94 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.711 -1.243 . . . . 0.86 108.553 179.713 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -71.22 -22.22 62.03 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.836 -1.165 . . . . 0.33 109.823 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.34 -46.39 90.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.948 -1.095 . . . . 0.37 108.566 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.21 -39.96 92.19 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.095 -1.003 . . . . 3.24 108.752 179.344 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.545 ' NH2' ' C6 ' ' B' ' 103' ' ' ' DC' . 43.8 ttp180 -59.99 -40.13 88.12 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.499 -0.926 . . . . 0.45 108.499 178.87 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -61.18 -39.3 89.66 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.441 -0.787 . . . . 0.33 109.434 179.323 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 58' ' ' PHE . 88.7 mt -60.01 -38.7 83.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.003 -1.061 . . . . 0.44 110.235 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.682 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -75.81 -27.95 58.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.926 -1.109 . . . . 2.08 111.49 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.7 mt -88.48 -42.51 12.07 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.263 -1.523 . . . . 0.5 112.088 -177.413 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.433 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 18.2 mmm180 -108.83 14.26 24.37 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.828 -1.17 . . . . 2.21 112.986 -177.345 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.433 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.3 m-70 -152.7 -71.82 0.15 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 119.968 -1.707 . . . . 0.67 110.758 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 53' ' ' LEU . 64.4 m-85 -80.7 17.54 1.13 Allowed 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.418 -0.801 . . . . 0.88 109.282 -179.438 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -70.84 -3.85 21.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.486 -0.759 . . . . 1.07 109.231 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -90.26 155.5 46.67 Favored Pre-proline 0 N--CA 1.496 1.845 0 O-C-N 121.085 -1.009 . . . . 3.65 108.696 179.306 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -46.77 148.74 3.57 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 121.397 1.398 . . . . 2.33 112.626 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.27 29.38 0.19 Allowed Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.206 -1.558 . . . . 3.27 109.206 179.306 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.501 2.096 0 O-C-N 121.199 -1.177 . . . . 5.18 109.226 -180.0 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 0 C3'-C2'-C1' 106.894 2.996 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.701 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.583 1 O4'-C1'-N19 111.046 4.057 . . . . 0.77 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.701 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.26 0 O4'-C1'-N19 110.204 3.005 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.458 H2'' " O4'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.761 0 O4'-C1'-N19 110.392 3.24 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.473 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.546 4.435 0 O4'-C1'-N19 110.935 3.919 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.473 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.897 0 C3'-C2'-C1' 107.068 3.12 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.465 ' C6 ' ' O6 ' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.933 1 O4'-C1'-N19 111.29 4.363 . . . . 0.7 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.465 ' O6 ' ' C6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.601 0 O4'-C1'-N19 110.749 3.686 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.584 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.217 0 O4'-C1'-N19 110.322 3.152 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.584 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.932 0 O4'-C1'-N19 110.586 3.482 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.464 0 O4'-C1'-N19 110.995 3.993 . . . . 0.96 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . 0.425 HO5' ' H8 ' ' C' ' 112' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.744 3.68 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.491 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.967 0 O4'-C1'-N19 110.367 3.208 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.491 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.163 0 O4'-C1'-N19 110.953 3.941 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.456 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.275 0 C3'-C2'-C1' 107.159 3.185 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.456 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 C3'-C2'-C1' 106.84 2.957 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.578 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.402 1 O4'-C1'-N19 111.328 4.41 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.578 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.098 1 O4'-C1'-N19 111.907 5.134 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.363 0 O4'-C1'-N19 110.73 3.663 . . . . 0.64 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.46 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.624 1 O4'-C1'-N19 111.697 4.871 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.46 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.307 0 O4'-C1'-N19 110.371 3.214 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.979 0 C3'-C2'-C1' 106.922 3.016 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.494 1.526 0 CA-C-O 121.048 0.353 . . . . 7.56 112.219 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -83.24 137.1 34.16 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.002 -1.061 . . . . 7.46 109.858 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.15 4.67 8.13 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.231 -0.918 . . . . 4.04 110.328 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -80.57 141.9 34.61 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.074 -1.016 . . . . 4.49 110.073 -179.4 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -87.19 108.05 18.74 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.288 -0.883 . . . . 0.79 109.163 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.46 132.56 40.42 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.164 -0.96 . . . . 0.93 110.642 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -86.5 14.68 6.4 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.453 -0.78 . . . . 2.1 110.438 179.515 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.616 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 16.3 m-70 -81.97 -25.59 0.4 Allowed Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 120.985 -1.072 . . . . 3.25 113.557 -177.848 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 88.1 Cg_exo -50.56 136.98 41.28 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.291 1.327 . . . . 1.0 111.968 -179.041 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -79.37 178.23 7.66 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 123.258 2.639 . . . . 1.37 111.947 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.43 30.0 63.1 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 120.029 -1.081 . . . . 1.3 110.47 179.002 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.38 93.69 9.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -1.182 . . . . 1.05 109.886 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mp0 -77.77 158.33 29.62 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.097 -1.002 . . . . 2.59 108.628 178.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -108.68 65.47 0.29 Allowed Pre-proline 0 N--CA 1.502 2.131 0 O-C-N 121.304 -0.873 . . . . 2.32 112.145 -179.122 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -45.3 132.37 11.96 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.076 1.184 . . . . 0.86 111.782 179.361 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -63.45 -33.81 76.37 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.451 -0.781 . . . . 3.74 110.931 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.6 m -71.56 -1.98 15.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.038 -1.039 . . . . 0.87 111.819 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -97.94 -26.43 14.65 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.654 -1.278 . . . . 1.06 110.998 -179.073 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 p -109.71 -35.98 6.05 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.239 -1.023 . . . . 0.66 108.239 179.032 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.37 -38.42 83.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.297 -0.877 . . . . 2.82 109.297 179.104 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.0 m -50.87 -23.54 2.89 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.291 -0.881 . . . . 0.44 109.638 -179.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -82.51 149.83 27.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.889 -1.132 . . . . 1.3 109.748 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.437 ' O ' ' O ' ' A' ' 44' ' ' ARG . 22.9 mm100 -121.31 151.89 56.7 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 121.501 -0.749 . . . . 2.07 109.031 179.886 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.29 151.7 42.8 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.985 1.79 . . . . 0.48 111.06 178.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.68 139.67 25.39 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.092 -1.005 . . . . 0.27 111.391 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.501 HG22 ' N ' ' A' ' 36' ' ' CYS . 68.3 m -116.22 160.69 20.07 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 109.071 -0.715 . . . . 0.39 109.071 178.656 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.501 ' N ' HG22 ' A' ' 35' ' ' THR . 2.2 t -104.9 104.66 47.61 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.336 -0.853 . . . . 0.42 109.063 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.84 -4.41 0.24 Allowed 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 122.079 1.853 . . . . 0.8 113.438 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -97.01 -64.46 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.043 -1.035 . . . . 0.53 110.02 -179.09 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 18.7 p -105.99 10.27 32.31 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.417 -0.802 . . . . 0.47 108.952 179.533 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' CYS . 77.9 m-85 58.48 17.38 4.84 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.664 -0.647 . . . . 0.66 110.58 179.541 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.556 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.13 139.87 45.92 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.546 -1.347 . . . . 0.38 108.02 178.872 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.61 110.71 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.147 -0.97 . . . . 0.42 109.972 -179.372 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' ALA . 28.5 mm -108.01 130.29 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 107.739 -1.208 . . . . 0.26 107.739 178.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 32' ' ' GLN . 70.9 mtt180 -73.78 -60.98 2.0 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.611 -0.836 . . . . 2.05 110.48 -178.567 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.684 HE22 ' NH2' ' A' ' 47' ' ' ARG . 89.9 mt-30 -80.22 132.94 35.96 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.959 -1.088 . . . . 1.22 110.014 -179.36 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.3 p -63.08 -33.12 74.76 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.057 -1.027 . . . . 0.35 109.758 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.684 ' NH2' HE22 ' A' ' 45' ' ' GLN . 27.6 ptt180 -60.27 -42.51 95.54 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.889 -1.132 . . . . 0.86 108.758 179.297 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -64.91 -27.9 69.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.269 -0.895 . . . . 0.33 108.941 178.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.33 -42.8 96.38 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.402 -1.436 . . . . 0.37 109.367 179.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' A' ' 50' ' ' ARG . 52.3 mtt-85 -59.96 -41.95 93.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.049 -1.032 . . . . 3.24 109.113 -179.294 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -64.88 -34.66 78.93 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.388 -0.82 . . . . 0.45 109.472 178.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -63.36 -36.64 84.39 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.276 -0.89 . . . . 0.33 110.252 -179.6 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.12 -45.95 91.25 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.268 -0.895 . . . . 0.44 109.296 -179.818 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.914 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 86.8 mt-10 -72.06 -27.21 62.53 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.168 -0.958 . . . . 2.08 113.073 -178.636 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.8 mt -92.82 -35.09 13.58 Favored 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.267 -1.52 . . . . 0.5 112.514 -177.448 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.55 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.1 mmm180 -109.21 20.09 18.71 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 120.612 -1.305 . . . . 2.21 112.334 -177.275 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.5 m-70 -156.09 -69.19 0.11 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.176 -1.578 . . . . 0.67 110.835 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -78.15 -2.38 37.25 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.922 -1.112 . . . . 0.88 109.621 -179.375 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.914 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -74.8 2.17 10.78 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.212 -0.93 . . . . 1.07 108.545 178.839 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -89.91 135.88 29.8 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.194 -0.941 . . . . 3.65 109.606 -179.495 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.88 145.79 51.58 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.528 1.485 . . . . 2.33 111.841 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.0 4.36 31.67 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.886 -1.286 . . . . 3.27 109.886 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.495 1.818 0 O-C-N 120.935 -1.333 . . . . 5.18 109.454 -179.85 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.185 0 O4'-C1'-N19 110.682 3.602 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.505 3.381 . . . . 0.77 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.515 ' C6 ' ' NH2' ' A' ' 51' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.586 0 O4'-C1'-N19 110.993 3.991 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.537 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.314 0 O4'-C1'-N19 110.883 3.853 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.537 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.124 4.155 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.4 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.22 0 O4'-C1'-N19 110.331 3.164 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.502 ' N3 ' ' NH1' ' A' ' 14' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.593 0 O4'-C1'-N19 110.422 3.277 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.489 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.438 1 O4'-C1'-N19 111.313 4.391 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.528 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.064 0 O4'-C1'-N19 110.569 3.461 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.528 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.5 0 O4'-C1'-N19 110.432 3.29 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.48 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.015 1 O4'-C1'-N19 111.139 4.174 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.802 0 O4'-C1'-N19 110.154 2.943 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.445 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.866 0 O4'-C1'-N19 110.906 3.883 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.466 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.635 0 O4'-C1'-N19 110.707 3.633 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.466 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.948 0 O4'-C1'-N19 110.373 3.216 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.662 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.003 0 O4'-C1'-N19 110.724 3.656 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.662 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 4.0 1 O4'-C1'-N19 111.683 4.853 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.439 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.169 0 O4'-C1'-N19 110.783 3.728 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.472 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.004 0 O4'-C1'-N19 110.574 3.467 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.472 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.548 0 O4'-C1'-N19 110.814 3.768 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.454 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.159 0 O4'-C1'-N19 110.55 3.437 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.655 0 C3'-C2'-C1' 106.964 3.046 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 N--CA 1.493 1.48 0 CA-C-O 121.333 0.472 . . . . 7.56 112.14 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -78.62 143.41 36.42 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.139 -0.976 . . . . 7.46 109.433 -179.819 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.67 17.8 0.2 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.982 -1.074 . . . . 4.04 110.064 179.426 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HD2' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -84.16 118.0 23.84 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.052 -1.03 . . . . 4.49 109.705 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.502 ' NH1' ' N3 ' ' B' ' 107' ' ' ' DA' . 39.7 mtt-85 -90.82 91.4 8.34 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.115 -0.99 . . . . 0.79 109.666 179.631 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.22 123.72 36.7 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.434 -0.791 . . . . 0.93 110.218 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -89.97 13.95 13.43 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.27 -0.894 . . . . 2.1 109.321 178.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.622 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 42.1 m80 -80.45 -30.69 0.6 Allowed Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.112 -0.992 . . . . 3.25 112.394 -178.42 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 48.4 Cg_exo -57.36 146.43 82.84 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 121.89 1.726 . . . . 1.0 112.32 -179.328 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.29 178.48 7.45 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.401 2.067 . . . . 1.37 111.945 178.779 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.3 26.86 62.85 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.516 -1.033 . . . . 1.3 110.516 178.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 21' ' ' THR . 9.0 t -89.28 94.74 10.02 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.014 -1.286 . . . . 1.05 109.576 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -84.27 145.01 28.53 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.207 -1.034 . . . . 2.59 108.207 179.152 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -105.22 76.8 0.33 Allowed Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.418 -0.801 . . . . 2.32 110.319 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.24 144.13 45.55 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.435 1.423 . . . . 0.86 111.556 179.07 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.523 HH11 ' HG2' ' A' ' 25' ' ' ARG . 29.6 mtt-85 -69.84 -9.44 54.77 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.375 -0.828 . . . . 3.74 109.829 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -71.23 -9.67 58.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.328 -0.858 . . . . 0.87 110.429 -179.424 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.489 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 22.1 mmt180 -102.8 -25.3 13.56 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.951 -1.093 . . . . 1.06 110.206 -179.377 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 p -105.41 -33.03 8.29 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.094 -1.004 . . . . 0.66 109.557 -179.664 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -64.31 -31.08 72.15 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.072 -1.017 . . . . 2.82 109.418 179.663 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -58.06 -29.73 65.63 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.563 -0.711 . . . . 0.44 109.661 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.588 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 62.2 mm-40 -95.34 139.73 31.23 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.32 -0.863 . . . . 1.3 109.925 -179.246 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.468 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 23.8 mp0 -114.22 152.21 45.71 Favored Pre-proline 0 N--CA 1.5 2.061 0 N-CA-C 108.378 -0.971 . . . . 2.07 108.378 178.868 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -42.03 156.2 0.08 OUTLIER 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.4 2.066 . . . . 0.48 112.376 179.609 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -146.04 139.63 26.21 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.065 -1.022 . . . . 0.27 110.535 179.425 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 36' ' ' CYS . 85.0 m -117.69 158.56 24.47 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 115.926 -0.579 . . . . 0.39 109.523 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 40' ' ' TYR . 5.9 t -104.6 103.39 39.74 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.513 -0.742 . . . . 0.42 109.622 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.02 -4.79 0.4 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 121.816 1.677 . . . . 0.8 113.219 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.0 mt -95.8 -50.03 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 120.884 -1.135 . . . . 0.53 110.153 -179.025 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.4 p -123.32 14.28 9.64 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 108.602 -0.888 . . . . 0.47 108.602 179.664 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' CYS . 80.6 m-85 53.65 15.1 0.7 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.832 -0.543 . . . . 0.66 110.961 178.793 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.615 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -54.61 139.44 38.45 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.67 -1.233 . . . . 0.38 107.67 178.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -94.3 109.3 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.137 -0.977 . . . . 0.42 110.915 -178.168 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 34' ' ' ALA . 47.1 mm -106.0 130.12 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 108.421 -0.955 . . . . 0.26 108.421 178.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -75.2 -61.85 1.76 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.802 -1.186 . . . . 2.05 110.92 -178.638 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.468 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 90.9 mt-30 -80.12 130.25 35.1 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.078 -1.014 . . . . 1.22 110.686 -179.301 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -60.77 -33.27 72.7 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.328 -0.857 . . . . 0.35 109.678 179.792 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.588 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -59.96 -37.88 80.87 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.945 -1.102 . . . . 0.86 108.509 179.61 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -69.92 -30.3 67.67 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.324 -0.86 . . . . 0.33 109.768 178.894 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.7 tp -56.36 -46.7 79.9 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.751 -1.218 . . . . 0.37 108.807 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -58.0 -39.9 79.39 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.669 -1.234 . . . . 3.24 107.669 179.398 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' NH2' ' C6 ' ' B' ' 103' ' ' ' DC' . 49.3 ttp180 -63.85 -40.51 96.73 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.793 0.806 . . . . 0.45 109.325 179.346 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -60.23 -38.3 83.0 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.639 -0.663 . . . . 0.33 109.244 -179.621 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.7 -41.95 91.9 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.901 -1.125 . . . . 0.44 109.878 -179.473 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.631 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 95.3 mt-10 -75.62 -16.75 60.18 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.486 -0.759 . . . . 2.08 112.958 -178.766 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.5 mt -95.7 -44.15 7.58 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.326 -1.484 . . . . 0.5 112.035 -177.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 23.3 mmm180 -108.89 16.28 22.82 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 121.099 -1.001 . . . . 2.21 111.938 -178.087 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.3 m-70 -150.67 -75.64 0.15 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.253 -1.529 . . . . 0.67 110.133 -179.853 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -80.88 16.51 1.43 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.205 -0.934 . . . . 0.88 110.266 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -69.48 -12.0 61.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.202 -0.936 . . . . 1.07 109.936 -179.739 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -91.64 153.24 43.92 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.165 -0.96 . . . . 3.65 108.796 179.732 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -48.99 153.94 3.59 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.25 1.3 . . . . 2.33 111.345 178.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.77 -162.79 24.62 Favored Glycine 0 N--CA 1.492 2.372 0 C-N-CA 119.445 -1.359 . . . . 3.27 110.197 -179.407 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.498 1.938 0 O-C-N 121.302 -1.117 . . . . 5.18 109.356 179.953 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.417 H2'' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.251 0 C3'-C2'-C1' 107.024 3.089 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.457 ' OP1' ' NH2' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.881 0 C3'-C2'-C1' 106.964 3.046 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.62 3.524 . . . . 0.65 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.414 ' C2 ' ' C2 ' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.448 0 O4'-C1'-N19 110.823 3.778 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.506 ' N3 ' ' N7 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.314 1 O4'-C1'-N19 111.544 4.68 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.506 ' N7 ' ' N3 ' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.511 0 O4'-C1'-N19 110.762 3.702 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.415 ' N7 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-N19 110.483 3.354 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.447 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.773 0 C3'-C2'-C1' 106.902 3.001 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.447 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.877 0 O4'-C1'-N19 110.527 3.409 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.538 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.811 0 O4'-C1'-N19 110.464 3.329 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.538 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.08 0 O4'-C1'-N19 110.179 2.974 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.971 3.964 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.668 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.73 0 C3'-C2'-C1' 106.905 3.003 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.668 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.616 1 O4'-C1'-N19 111.249 4.311 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.485 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.662 0 C3'-C2'-C1' 106.857 2.969 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.553 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.868 0 C3'-C2'-C1' 106.94 3.028 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.553 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.952 1 O4'-C1'-N19 111.843 5.053 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.433 1 O4'-C1'-N19 111.61 4.762 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.783 1 O4'-C1'-N19 111.018 4.023 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.608 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.112 0 O4'-C1'-N19 110.395 3.244 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.608 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.779 1 O4'-C1'-N19 111.608 4.76 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.901 0 C3'-C2'-C1' 106.917 3.012 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo . . . . . 0 N--CA 1.492 1.433 0 CA-C-O 121.017 0.34 . . . . 7.56 112.198 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -82.49 146.1 29.43 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.133 -0.979 . . . . 7.46 109.765 179.346 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.07 -107.74 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.532 -0.914 . . . . 4.04 108.532 179.087 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.87 -138.35 0.08 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.293 -1.003 . . . . 4.49 108.293 179.417 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -85.3 97.32 9.88 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.121 -0.987 . . . . 0.79 108.776 179.491 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.61 132.73 41.95 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.7 -0.625 . . . . 0.93 110.584 -179.15 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -90.46 7.86 36.71 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.361 -0.837 . . . . 2.1 109.184 178.29 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.597 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.5 m80 -78.76 -27.79 0.54 Allowed Pre-proline 0 N--CA 1.505 2.292 0 N-CA-C 113.69 0.996 . . . . 3.25 113.69 -177.717 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 75.6 Cg_exo -52.0 146.34 29.98 Favored 'Trans proline' 0 N--CA 1.5 1.909 0 C-N-CA 121.186 1.257 . . . . 1.0 112.114 -178.308 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.51 168.26 21.6 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.22 1.946 . . . . 1.37 112.557 -179.353 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.45 29.15 60.35 Favored Glycine 0 N--CA 1.496 2.634 0 C-N-CA 120.235 -0.983 . . . . 1.3 111.112 178.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.403 ' H ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -97.07 84.15 3.48 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.914 -1.345 . . . . 1.05 109.49 179.803 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -78.26 145.84 35.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.947 -1.096 . . . . 2.59 109.011 179.76 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -90.52 110.94 44.62 Favored Pre-proline 0 N--CA 1.499 1.994 0 O-C-N 121.121 -0.987 . . . . 2.32 110.399 -179.502 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -84.24 140.16 8.52 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 121.66 1.574 . . . . 0.86 111.051 178.598 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.497 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 6.5 mpt_? -70.28 -14.46 62.6 Favored 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 119.01 -1.076 . . . . 3.74 109.123 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -69.98 -10.3 58.12 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.356 -0.84 . . . . 0.87 111.219 -179.228 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 27' ' ' ARG . 6.7 mmt-85 -99.95 -17.7 17.43 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.823 -1.173 . . . . 1.06 110.423 -179.579 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 p -109.88 -44.12 3.87 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.069 -1.02 . . . . 0.66 110.257 -179.795 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -61.82 -23.08 66.01 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.337 -0.852 . . . . 2.82 109.773 -179.23 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.3 m -58.81 -39.03 79.94 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.524 -0.735 . . . . 0.44 109.942 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.578 ' CG ' HH21 ' A' ' 47' ' ' ARG . 80.5 mm-40 -96.68 148.32 22.99 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.273 -0.892 . . . . 1.3 109.661 -179.772 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -113.13 150.37 42.86 Favored Pre-proline 0 N--CA 1.503 2.191 0 N-CA-C 108.349 -0.982 . . . . 2.07 108.349 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -39.07 154.81 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.189 0 C-N-CA 121.779 1.653 . . . . 0.48 111.762 -179.713 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.46 139.26 28.2 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.295 -0.878 . . . . 0.27 110.18 -179.337 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 36' ' ' CYS . 52.2 m -117.07 159.55 22.38 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 109.134 -0.691 . . . . 0.39 109.134 178.633 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.472 ' N ' HG22 ' A' ' 35' ' ' THR . 3.8 t -101.97 106.43 47.46 Favored Pre-proline 0 N--CA 1.499 2.018 0 O-C-N 121.602 -0.686 . . . . 0.42 109.959 179.844 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -55.57 -7.11 1.22 Allowed 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 121.715 1.61 . . . . 0.8 113.47 179.163 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.9 mt -97.01 -51.02 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 120.741 -1.224 . . . . 0.53 110.478 -178.36 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.4 p -123.74 22.14 9.05 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.531 -0.731 . . . . 0.47 109.365 179.642 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 36' ' ' CYS . 80.4 m-85 48.7 17.93 0.17 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.636 -0.665 . . . . 0.66 112.175 178.516 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.3 136.59 56.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.486 -1.383 . . . . 0.38 108.454 178.628 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.6 t -92.17 116.22 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.057 -1.027 . . . . 0.42 110.115 -179.115 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ALA . 28.8 mm -114.05 129.79 69.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 108.036 -1.098 . . . . 0.26 108.036 178.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -73.64 -65.09 0.87 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.956 -1.09 . . . . 2.05 111.22 -179.448 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -79.98 137.9 36.94 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.209 -1.557 . . . . 1.22 111.417 -178.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.3 p -62.49 -34.2 76.39 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.454 -0.779 . . . . 0.35 109.865 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.578 HH21 ' CG ' ' A' ' 31' ' ' GLU . 12.2 ptp180 -60.05 -38.57 83.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.991 -1.068 . . . . 0.86 108.585 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -68.18 -31.04 70.29 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.585 -0.697 . . . . 0.33 109.16 179.128 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.81 -42.2 92.93 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 118.884 -1.126 . . . . 0.37 108.841 -179.09 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -59.95 -41.46 91.93 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.998 -1.064 . . . . 3.24 108.298 179.442 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -64.56 -37.18 86.67 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.469 -0.769 . . . . 0.45 109.629 179.211 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -61.28 -40.77 95.36 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.306 -0.871 . . . . 0.33 109.356 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.84 -40.66 89.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.383 -0.823 . . . . 0.44 110.081 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.718 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 81.0 mm-40 -74.47 -24.77 59.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.198 -0.939 . . . . 2.08 112.262 -179.21 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.58 ' C ' ' HE ' ' A' ' 56' ' ' ARG . 94.5 mt -93.23 -41.64 9.78 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.576 -1.327 . . . . 0.5 112.333 -177.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.58 ' HE ' ' C ' ' A' ' 55' ' ' LEU . 4.0 mmp_? -104.25 14.26 30.65 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.729 -1.232 . . . . 2.21 111.968 -177.533 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.7 m-70 -153.59 -70.9 0.14 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 119.996 -1.69 . . . . 0.67 111.069 179.861 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -81.96 14.79 2.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.964 -1.085 . . . . 0.88 109.511 -179.803 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.27 -1.63 13.39 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.426 -0.796 . . . . 1.07 109.34 179.534 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -85.23 150.45 54.8 Favored Pre-proline 0 N--CA 1.495 1.812 0 O-C-N 120.658 -1.276 . . . . 3.65 108.491 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.93 163.72 37.93 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 121.67 1.58 . . . . 2.33 111.948 -179.613 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.11 136.95 20.55 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 109.773 -1.331 . . . . 3.27 109.773 179.715 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.502 2.149 0 O-C-N 121.359 -1.083 . . . . 5.18 109.48 179.785 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.494 ' H8 ' " O5'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.404 0 O4'-C1'-N19 110.737 3.671 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.426 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.519 0 O4'-C1'-N19 110.477 3.346 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.453 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.324 1 O4'-C1'-N19 111.061 4.076 . . . . 0.65 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.453 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.588 0 O4'-C1'-N19 110.861 3.826 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.414 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.401 1 O4'-C1'-N19 111.902 5.128 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.546 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.63 0 C3'-C2'-C1' 107.078 3.127 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.546 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.164 1 O4'-C1'-N19 111.235 4.294 . . . . 0.7 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.473 ' O6 ' ' C6 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.979 0 O4'-C1'-N19 110.802 3.753 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.541 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.197 0 O4'-C1'-N19 110.449 3.311 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.541 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.566 3.457 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.476 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.15 0 O4'-C1'-N19 110.303 3.128 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.487 1 O4'-C1'-N19 111.144 4.181 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.957 0 C3'-C2'-C1' 106.992 3.066 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 0 O4'-C1'-N19 110.615 3.519 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.169 0 O4'-C1'-N19 110.532 3.415 . . . . 0.53 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.578 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.318 0 O4'-C1'-N19 110.651 3.563 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.609 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.021 1 O4'-C1'-N19 111.767 4.959 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.609 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.955 0 O4'-C1'-N19 110.951 3.938 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.449 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.362 1 O4'-C1'-N19 111.985 5.231 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.439 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.91 1 O4'-C1'-N19 111.886 5.107 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.386 0 O4'-C1'-N19 110.387 3.234 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . 0.44 ' H6 ' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.765 0 C3'-C2'-C1' 106.963 3.045 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo . . . . . 0 N--CA 1.494 1.508 0 CA-C-O 121.393 0.497 . . . . 7.56 111.96 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' H ' ' HD2' ' A' ' 11' ' ' LYS . 2.5 mptp? -84.62 139.44 32.07 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.261 -0.9 . . . . 7.46 109.653 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.69 121.15 3.24 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.448 -0.783 . . . . 4.04 109.7 -179.595 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -152.57 -101.26 0.05 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.678 -1.264 . . . . 4.49 110.097 179.375 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.439 HH12 " H1'" ' C' ' 117' ' ' ' DC' . 97.3 mtt180 -84.36 97.52 9.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.812 -1.18 . . . . 0.79 110.359 -179.003 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.3 104.19 14.28 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.595 -0.691 . . . . 0.93 109.646 179.123 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -88.01 5.27 41.65 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.878 -1.139 . . . . 2.1 109.257 179.121 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.531 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 13.4 t-80 -78.33 -47.06 2.05 Favored Pre-proline 0 N--CA 1.499 2.016 0 O-C-N 121.41 -0.806 . . . . 3.25 111.804 -179.359 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 17' ' ' HIS . 24.9 Cg_endo -59.71 161.53 17.83 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 CA-C-N 120.503 1.215 . . . . 1.0 111.648 -179.828 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -57.34 178.11 0.18 Allowed 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.862 2.375 . . . . 1.37 112.818 -179.079 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.64 21.33 78.84 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.907 -1.277 . . . . 1.3 109.907 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 21' ' ' THR . 9.7 t -93.0 90.65 7.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.284 -1.127 . . . . 1.05 109.658 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -80.73 138.23 36.31 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.133 -0.979 . . . . 2.59 108.796 179.149 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -107.22 70.69 0.28 Allowed Pre-proline 0 N--CA 1.503 2.184 0 O-C-N 121.355 -0.841 . . . . 2.32 111.008 -179.336 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.78 142.0 67.97 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 121.389 1.393 . . . . 0.86 111.289 179.158 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -72.6 -3.12 22.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.163 -0.961 . . . . 3.74 110.262 -179.337 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.4 m -70.07 -4.88 23.13 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.142 -0.974 . . . . 0.87 108.742 179.655 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -101.39 -26.47 13.58 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.202 -0.666 . . . . 1.06 109.202 -178.631 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 p -108.19 -36.62 6.25 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.88 -0.785 . . . . 0.66 108.88 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -59.87 -34.75 73.56 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.526 -0.87 . . . . 2.82 108.839 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.402 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 9.0 m -70.82 -22.94 62.28 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.91 -1.119 . . . . 0.44 108.727 178.807 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -87.36 135.47 33.31 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.384 -0.969 . . . . 1.3 108.384 179.732 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 3.9 mp0 -113.07 152.62 45.14 Favored Pre-proline 0 N--CA 1.492 1.665 0 N-CA-C 108.319 -0.993 . . . . 2.07 108.319 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -52.67 154.22 12.74 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 121.094 1.196 . . . . 0.48 111.209 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -142.63 136.33 29.03 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.216 -0.927 . . . . 0.27 110.689 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.7 m -116.63 148.75 40.69 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.388 -0.82 . . . . 0.39 109.951 179.153 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.9 t -88.35 131.67 41.61 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.252 -0.905 . . . . 0.42 108.954 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -79.12 -4.86 14.14 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.65 1.566 . . . . 0.8 112.362 -179.615 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.8 mt -99.34 -54.58 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.139 -0.976 . . . . 0.53 109.971 -179.694 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.6 p -118.68 27.68 8.76 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.471 -0.768 . . . . 0.47 110.691 -179.256 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 42.83 15.96 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.359 -0.838 . . . . 0.66 111.081 179.186 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.71 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.45 133.19 52.98 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 106.997 -1.483 . . . . 0.38 106.997 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.1 t -92.33 116.98 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.76 -1.212 . . . . 0.42 110.513 -178.487 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' ALA . 27.3 mm -111.89 129.8 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 N-CA-C 107.089 -1.449 . . . . 0.26 107.089 178.186 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.489 HH11 ' HG2' ' A' ' 44' ' ' ARG . 9.6 mtt-85 -72.31 -61.27 1.86 Allowed 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.681 -1.262 . . . . 2.05 110.64 -178.286 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.555 ' NE2' HH21 ' A' ' 47' ' ' ARG . 89.2 mt-30 -77.98 135.89 37.88 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.265 -0.897 . . . . 1.22 110.642 -178.94 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -65.13 -38.87 92.02 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.466 -0.772 . . . . 0.35 110.631 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.555 HH21 ' NE2' ' A' ' 45' ' ' GLN . 24.6 ptt180 -58.58 -39.38 80.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.727 -1.233 . . . . 0.86 109.06 -179.818 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.45 -31.9 72.94 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.213 -0.929 . . . . 0.33 109.853 179.521 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.29 -41.76 85.1 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.655 -1.278 . . . . 0.37 108.701 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -57.49 -40.04 77.75 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.513 -1.367 . . . . 3.24 107.748 179.727 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -68.14 -35.18 77.68 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 109.467 -0.568 . . . . 0.45 109.467 179.216 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -60.32 -37.09 79.53 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.068 -1.02 . . . . 0.33 108.717 178.828 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.27 -46.73 89.13 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -0.869 . . . . 0.44 110.415 -179.56 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.783 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.2 mm-40 -70.26 -25.26 63.28 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.971 -1.081 . . . . 2.08 112.511 -179.223 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.8 mt -94.01 -38.44 11.15 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.769 -1.207 . . . . 0.5 112.602 -177.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.52 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 19.8 mmm-85 -106.5 13.89 27.84 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 120.583 -1.323 . . . . 2.21 112.215 -177.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.52 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 93.1 m-70 -153.82 -71.68 0.13 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.287 -1.508 . . . . 0.67 111.042 179.526 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -79.81 12.78 2.46 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.855 -1.153 . . . . 0.88 110.238 -179.15 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.783 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.33 -0.36 9.91 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.193 -0.942 . . . . 1.07 109.437 179.686 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -84.15 148.92 54.54 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 121.294 -0.879 . . . . 3.65 108.867 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.43 160.98 46.87 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 122.03 1.82 . . . . 2.33 112.418 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -44.26 140.04 3.93 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.568 -1.413 . . . . 3.27 109.568 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 68.0 t . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 117.787 -1.102 . . . . 5.18 109.451 -179.68 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.676 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.764 0 C3'-C2'-C1' 106.85 2.964 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.704 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.287 0 O4'-C1'-N19 110.359 3.199 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.704 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.322 0 O4'-C1'-N19 110.686 3.607 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.432 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.253 0 O4'-C1'-N19 110.764 3.705 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.522 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.534 2.901 1 O4'-C1'-N19 111.564 4.705 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.608 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.997 0 O4'-C1'-N19 110.348 3.185 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.608 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.87 3.838 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.7 0 O4'-C1'-N19 110.737 3.672 . . . . 0.66 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.546 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.045 0 O4'-C1'-N19 110.885 3.856 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.546 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.553 0 O4'-C1'-N19 110.34 3.175 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.49 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.056 0 O4'-C1'-N19 110.856 3.82 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.729 0 O4'-C1'-N19 110.889 3.862 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.879 0 O4'-C1'-N19 110.373 3.217 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.433 ' C8 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.233 1 O4'-C1'-N19 112.15 5.438 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.435 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.764 0 C3'-C2'-C1' 107.008 3.077 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.435 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.757 0 C3'-C2'-C1' 107.11 3.15 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.488 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.743 1 O4'-C1'-N19 111.269 4.336 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.488 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.865 1 O4'-C1'-N19 111.464 4.58 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.45 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.778 0 O4'-C1'-N19 110.514 3.393 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.529 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.44 1 O4'-C1'-N19 111.078 4.098 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.529 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.344 1 O4'-C1'-N19 111.152 4.19 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.164 0 O4'-C1'-N19 110.666 3.582 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.417 ' C ' ' H ' ' A' ' 12' ' ' ALA . 27.7 Cg_exo . . . . . 0 N--CA 1.495 1.563 0 CA-C-O 121.458 0.524 . . . . 7.56 111.729 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -80.03 21.83 0.55 Allowed 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.33 -0.856 . . . . 7.46 109.129 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 10' ' ' PRO . . . -159.05 124.3 4.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.652 -0.655 . . . . 4.04 110.117 -179.71 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -77.89 170.05 17.25 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.357 -0.839 . . . . 4.49 109.706 179.55 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -81.03 91.15 6.04 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.023 -1.048 . . . . 0.79 109.512 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.49 130.49 44.57 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.412 -0.805 . . . . 0.93 111.038 -179.812 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -93.83 4.65 53.61 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.418 -0.801 . . . . 2.1 110.106 178.538 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.595 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 8.5 t-80 -81.14 -33.76 0.7 Allowed Pre-proline 0 N--CA 1.503 2.215 0 O-C-N 120.918 -1.113 . . . . 3.25 112.467 -177.862 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.6 Cg_exo -53.04 152.24 18.82 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 121.329 1.352 . . . . 1.0 111.106 -178.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -74.5 179.88 5.48 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.305 2.003 . . . . 1.37 112.427 -178.595 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.87 29.98 58.34 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 110.237 -1.145 . . . . 1.3 110.237 179.572 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 21' ' ' THR . 14.3 t -88.17 96.58 10.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.976 -1.308 . . . . 1.05 109.057 -179.864 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -78.19 146.08 35.2 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.164 -0.96 . . . . 2.59 109.256 -179.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' CD ' ' OP1' ' B' ' 106' ' ' ' DG' . 25.7 mmtm -108.46 94.05 12.93 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 121.564 -0.71 . . . . 2.32 110.323 179.581 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -84.48 132.58 5.08 Favored 'Trans proline' 0 N--CA 1.487 1.092 0 C-N-CA 121.887 1.724 . . . . 0.86 110.935 179.297 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -74.64 -12.94 60.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.095 -1.003 . . . . 3.74 109.171 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 30' ' ' SER . 70.3 m -70.93 -3.67 20.53 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.336 -0.853 . . . . 0.87 110.424 -179.323 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.433 ' NH1' ' C8 ' ' C' ' 114' ' ' ' DA' . 14.9 mmm180 -111.66 -17.69 12.95 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.236 -0.915 . . . . 1.06 110.758 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.6 p -104.88 -35.83 7.58 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.729 -1.232 . . . . 0.66 109.187 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -73.47 -30.33 63.09 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.334 -0.854 . . . . 2.82 109.509 178.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 26' ' ' SER . 26.7 m -56.43 -36.4 68.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.508 -0.745 . . . . 0.44 109.729 -179.456 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -92.55 139.0 31.03 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.008 -1.058 . . . . 1.3 109.116 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -112.74 150.35 42.61 Favored Pre-proline 0 N--CA 1.495 1.789 0 N-CA-C 108.167 -1.049 . . . . 2.07 108.167 179.691 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -39.01 157.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.229 0 C-N-CA 122.08 1.854 . . . . 0.48 112.153 -179.313 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.59 137.91 21.85 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.044 -1.035 . . . . 0.27 110.958 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.5 m -115.42 146.59 41.46 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.413 -0.804 . . . . 0.39 109.557 179.115 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.7 t -85.75 126.92 64.67 Favored Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.083 -1.011 . . . . 0.42 108.488 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -77.02 -3.14 13.43 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 121.429 1.419 . . . . 0.8 112.743 -179.174 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.5 mt -99.99 -48.06 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.085 -1.009 . . . . 0.53 110.521 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.1 p -123.38 16.82 9.76 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.432 -0.793 . . . . 0.47 110.297 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 54.91 17.48 1.83 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.299 -0.875 . . . . 0.66 111.569 178.823 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.533 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.44 134.57 56.77 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.556 -1.34 . . . . 0.38 107.645 178.542 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.2 t -92.73 112.51 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.997 -1.065 . . . . 0.42 109.834 -179.034 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.2 mm -108.14 128.23 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 107.582 -1.266 . . . . 0.26 107.582 179.102 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.547 HH11 ' HG2' ' A' ' 44' ' ' ARG . 18.6 mtt-85 -71.22 -64.16 0.97 Allowed 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 118.661 -1.216 . . . . 2.05 110.201 -179.065 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.522 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 87.0 mt-30 -77.2 140.68 40.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.13 -0.981 . . . . 1.22 110.997 -179.026 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.52 -38.43 87.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.466 -0.771 . . . . 0.35 109.911 179.43 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.415 HH22 HH21 ' A' ' 27' ' ' ARG . 11.9 ptp180 -56.01 -41.28 74.67 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.828 -1.17 . . . . 0.86 108.618 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.415 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 94.4 m-20 -64.55 -29.95 70.97 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.327 -0.858 . . . . 0.33 109.853 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.8 tp -59.37 -46.33 88.96 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.985 -1.072 . . . . 0.37 109.641 -179.583 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -58.88 -40.03 83.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.907 -1.121 . . . . 3.24 108.028 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -63.59 -39.84 95.41 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.563 0.697 . . . . 0.45 109.275 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -60.56 -39.28 87.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.535 -0.728 . . . . 0.33 109.972 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.2 -41.5 93.12 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.947 -1.095 . . . . 0.44 109.766 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.747 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 98.6 mt-10 -72.9 -26.15 61.32 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.205 -0.934 . . . . 2.08 111.362 -179.349 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.0 mt -88.59 -51.53 5.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.981 -1.074 . . . . 0.5 112.775 -177.636 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.548 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 24.1 mmm180 -103.18 21.2 16.25 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 120.701 -1.249 . . . . 2.21 111.915 -177.283 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 94.7 m-70 -155.75 -76.29 0.1 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.188 -1.57 . . . . 0.67 111.344 179.75 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.88 14.78 1.25 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.018 -1.051 . . . . 0.88 110.143 -178.433 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -68.47 -5.28 18.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.131 -0.981 . . . . 1.07 108.44 179.351 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -91.46 146.41 33.25 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.223 -0.923 . . . . 3.65 108.934 178.863 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -64.88 137.14 51.97 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.151 1.901 . . . . 2.33 112.301 179.853 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -113.14 -82.6 1.16 Allowed Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.148 -1.581 . . . . 3.27 109.148 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.1 m . . . . . 0 N--CA 1.495 1.822 0 O-C-N 121.388 -1.066 . . . . 5.18 108.959 179.496 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.661 3.576 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.539 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.791 0 C3'-C2'-C1' 107.033 3.095 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.539 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.524 0 O4'-C1'-N19 110.833 3.791 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.493 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.035 1 O4'-C1'-N19 111.168 4.21 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.493 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.735 1 O4'-C1'-N19 111.2 4.25 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.538 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.508 0 O4'-C1'-N19 110.575 3.468 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.542 ' N7 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.672 3.59 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.554 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.78 1 O4'-C1'-N19 111.049 4.061 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.423 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.714 0 O4'-C1'-N19 110.841 3.801 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.551 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.649 0 O4'-C1'-N19 110.529 3.411 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.551 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.447 0 O4'-C1'-N19 110.755 3.694 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.347 0 O4'-C1'-N19 110.363 3.204 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.592 0 C3'-C2'-C1' 106.915 3.011 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.419 ' C5 ' ' C4 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.48 1 O4'-C1'-N19 111.232 4.29 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.419 ' C4 ' ' C5 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.464 0 C3'-C2'-C1' 106.712 2.865 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.577 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.592 3.49 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.577 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.858 1 O4'-C1'-N19 111.135 4.169 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.571 1 O4'-C1'-N19 111.8 5.0 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.469 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.73 0 O4'-C1'-N19 110.806 3.758 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.469 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.62 0 O4'-C1'-N19 110.965 3.956 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 0 C3'-C2'-C1' 106.965 3.047 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . 0.444 ' H6 ' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.465 0 O4'-C1'-N19 110.462 3.327 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 N--CA 1.492 1.411 0 CA-C-O 121.461 0.525 . . . . 7.56 112.161 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -155.54 -14.94 0.11 Allowed 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.45 -0.781 . . . . 7.46 109.803 -179.14 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.99 108.91 2.2 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 4.04 109.739 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -156.87 -167.85 2.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.217 -0.927 . . . . 4.49 108.593 179.468 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -86.66 96.98 10.31 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.931 -1.106 . . . . 0.79 109.877 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.29 112.5 24.84 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.437 -0.789 . . . . 0.93 109.866 179.398 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -95.6 1.82 53.88 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.28 -0.888 . . . . 2.1 109.279 178.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.616 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 25.2 t-80 -81.59 -32.66 0.63 Allowed Pre-proline 0 N--CA 1.499 1.987 0 O-C-N 121.18 -0.95 . . . . 3.25 112.437 -178.363 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.4 Cg_exo -54.86 158.7 10.53 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 122.165 1.91 . . . . 1.0 111.715 -179.505 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -67.86 172.96 9.89 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.346 2.031 . . . . 1.37 111.956 -179.434 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.62 23.11 76.1 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.734 -1.346 . . . . 1.3 109.734 -179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 21' ' ' THR . 13.8 t -89.3 94.98 10.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.137 -1.213 . . . . 1.05 108.765 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -77.66 148.77 34.86 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.142 -0.974 . . . . 2.59 109.119 -179.625 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -107.0 77.21 0.49 Allowed Pre-proline 0 N--CA 1.499 2.001 0 O-C-N 121.432 -0.793 . . . . 2.32 111.019 -179.26 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -71.09 134.19 24.68 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.657 1.571 . . . . 0.86 111.438 178.847 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -72.54 -11.05 60.5 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.274 -0.891 . . . . 3.74 110.177 -179.093 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.4 m -72.0 -3.13 21.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.1 -1.0 . . . . 0.87 109.963 -179.5 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.554 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 0.4 OUTLIER -101.33 -26.37 13.64 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.206 -0.934 . . . . 1.06 109.982 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 p -106.29 -32.26 8.25 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.37 -0.832 . . . . 0.66 109.461 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -64.26 -37.24 86.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.222 -0.924 . . . . 2.82 109.207 179.422 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -59.98 -30.43 69.11 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.535 -0.728 . . . . 0.44 109.332 -179.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -85.51 138.01 32.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.379 -0.826 . . . . 1.3 109.572 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -119.22 151.03 50.37 Favored Pre-proline 0 N--CA 1.504 2.24 0 O-C-N 121.515 -0.741 . . . . 2.07 109.347 -179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -42.35 154.64 0.12 Allowed 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.893 1.729 . . . . 0.48 112.18 179.274 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.92 136.95 23.38 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.059 -1.026 . . . . 0.27 110.519 179.816 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.9 m -115.42 145.22 42.77 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.358 -0.839 . . . . 0.39 109.271 178.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.9 t -80.4 128.74 71.71 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.527 -0.733 . . . . 0.42 109.036 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -77.25 -2.79 13.01 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 121.372 1.382 . . . . 0.8 111.592 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.4 mt -103.9 -56.38 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.493 -0.754 . . . . 0.53 110.945 -179.203 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.605 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.4 p -112.81 18.47 18.19 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.281 -0.887 . . . . 0.47 109.887 -179.253 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 50.27 17.13 0.31 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.385 -0.822 . . . . 0.66 111.233 178.379 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.43 143.03 50.98 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.873 -1.142 . . . . 0.38 108.024 178.301 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.0 t -95.45 111.28 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.071 -1.018 . . . . 0.42 110.425 -178.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 34' ' ' ALA . 26.5 mm -105.87 129.74 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 107.295 -1.372 . . . . 0.26 107.295 178.312 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -74.28 -60.06 2.44 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 119.13 -1.028 . . . . 2.05 110.278 -178.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.662 ' NE2' HH21 ' A' ' 47' ' ' ARG . 94.9 mt-30 -82.07 136.11 35.24 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.987 -1.07 . . . . 1.22 110.054 -179.759 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.3 p -66.85 -42.79 85.15 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.376 -0.827 . . . . 0.35 110.144 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.662 HH21 ' NE2' ' A' ' 45' ' ' GLN . 21.7 ptt180 -55.14 -35.37 64.64 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.794 -1.191 . . . . 0.86 108.827 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.498 ' CB ' HH12 ' A' ' 51' ' ' ARG . 84.5 m-20 -70.01 -29.02 65.98 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.998 -1.064 . . . . 0.33 109.108 178.77 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.6 tp -54.95 -44.47 74.35 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 107.991 -1.115 . . . . 0.37 107.991 179.446 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 50' ' ' ARG . 17.4 ttt-85 -57.74 -40.08 78.83 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.654 -1.239 . . . . 3.24 107.654 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.498 HH12 ' CB ' ' A' ' 48' ' ' ASN . 12.2 ttp-105 -65.31 -39.26 92.26 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.515 -0.874 . . . . 0.45 109.534 178.712 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -60.4 -39.59 87.91 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.346 -0.847 . . . . 0.33 109.604 -179.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.63 -40.7 92.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.119 -0.988 . . . . 0.44 110.353 -179.676 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.797 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 66.5 mm-40 -74.31 -24.34 59.21 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.293 -0.879 . . . . 2.08 111.914 -178.719 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.8 mt -94.55 -43.38 8.35 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 120.695 -1.253 . . . . 0.5 112.024 -178.466 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.1 mmm180 -104.04 16.93 25.17 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.924 -1.11 . . . . 2.21 112.462 -177.807 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 96.8 m-70 -153.96 -72.99 0.13 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.003 -1.686 . . . . 0.67 110.941 179.502 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -78.89 8.6 5.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.866 -1.146 . . . . 0.88 109.52 -179.415 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.797 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.15 -0.82 10.55 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.327 -0.858 . . . . 1.07 108.815 179.511 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -86.58 149.91 49.9 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.441 -0.787 . . . . 3.65 109.2 -179.741 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.62 154.6 59.71 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.234 1.956 . . . . 2.33 112.202 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.54 160.46 54.06 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.028 -1.629 . . . . 3.27 109.028 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.496 1.85 0 O-C-N 121.504 -0.998 . . . . 5.18 109.602 -179.477 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.887 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.422 0 O4'-C1'-N19 110.335 3.168 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.553 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.762 0 O4'-C1'-N19 110.453 3.317 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.553 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.884 0 C3'-C2'-C1' 106.778 2.913 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.196 1 O4'-C1'-N19 111.743 4.929 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.421 ' C8 ' ' NE2' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.536 3.144 1 O4'-C1'-N19 111.294 4.368 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.505 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.363 0 O4'-C1'-N19 110.383 3.229 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.507 ' N3 ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.454 0 O4'-C1'-N19 110.727 3.659 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.852 1 O4'-C1'-N19 111.368 4.46 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.787 0 O4'-C1'-N19 110.902 3.877 . . . . 0.87 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.627 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.168 0 C3'-C2'-C1' 107.171 3.194 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.627 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.289 0 O4'-C1'-N19 110.239 3.049 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . 0.407 H2'' " O5'" ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.216 0 O4'-C1'-N19 110.845 3.806 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.407 " O5'" H2'' ' C' ' 112' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.769 0 O4'-C1'-N19 110.277 3.096 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.535 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.046 1 O4'-C1'-N19 111.445 4.556 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.535 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.7 0 C3'-C2'-C1' 107.03 3.093 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.641 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.702 0 O4'-C1'-N19 110.438 3.297 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.641 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.924 0 O4'-C1'-N19 110.682 3.602 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.428 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.062 1 O4'-C1'-N19 111.371 4.464 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.428 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O4'-C1'-N19 110.443 3.304 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.49 ' N2 ' ' C2 ' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.112 0 O4'-C1'-N19 110.677 3.596 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.49 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.722 0 O4'-C1'-N19 110.708 3.635 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.464 3.33 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo . . . . . 0 N--CA 1.494 1.508 0 CA-C-O 121.237 0.432 . . . . 7.56 112.441 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -78.36 -168.7 1.41 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.213 -0.93 . . . . 7.46 109.865 -179.431 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.69 12.57 0.21 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.096 -1.003 . . . . 4.04 109.606 179.846 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -82.81 127.95 33.94 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.038 -1.039 . . . . 4.49 108.926 179.403 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.507 ' NH2' ' N3 ' ' B' ' 107' ' ' ' DA' . 42.7 mtp180 -86.2 103.55 14.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.231 -0.918 . . . . 0.79 109.018 -179.728 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.66 104.26 16.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.107 -0.995 . . . . 0.93 110.856 -179.077 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -98.2 0.79 46.49 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.478 -0.764 . . . . 2.1 109.069 178.708 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.639 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 26.3 t-80 -83.71 -29.11 0.44 Allowed Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.285 -0.885 . . . . 3.25 112.339 -179.129 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 50.2 Cg_exo -51.96 156.04 7.72 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 121.628 1.552 . . . . 1.0 112.125 -178.239 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.3 170.11 14.04 Favored 'Trans proline' 0 N--CA 1.507 2.275 0 C-N-CA 123.418 2.745 . . . . 1.37 113.285 -179.315 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.86 28.58 60.57 Favored Glycine 0 N--CA 1.495 2.58 0 N-CA-C 110.153 -1.179 . . . . 1.3 110.153 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 21' ' ' THR . 7.1 t -94.45 89.71 5.95 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.204 -1.174 . . . . 1.05 109.451 179.595 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -83.31 140.63 32.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.455 -0.778 . . . . 2.59 108.906 179.043 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -109.13 78.69 1.04 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.749 -0.594 . . . . 2.32 109.923 179.76 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -43.1 159.11 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.906 1.737 . . . . 0.86 112.57 179.378 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -68.97 -39.82 79.21 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.351 -0.843 . . . . 3.74 111.449 -179.531 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -69.93 11.94 0.25 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.652 -1.28 . . . . 0.87 111.489 -178.324 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -92.95 -69.49 0.74 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.828 -1.17 . . . . 1.06 112.204 -178.659 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.7 p -87.6 -29.41 21.26 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.94 -1.1 . . . . 0.66 110.678 -177.872 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.11 -35.08 79.58 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.989 -1.069 . . . . 2.82 109.052 179.035 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.6 m -60.06 -31.0 69.58 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.421 -0.799 . . . . 0.44 109.739 -179.543 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 76.5 mm-40 -68.31 140.28 55.94 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 119.657 -0.817 . . . . 1.3 109.303 -179.841 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -113.16 151.88 44.61 Favored Pre-proline 0 N--CA 1.493 1.717 0 N-CA-C 107.845 -1.168 . . . . 2.07 107.845 -179.786 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.38 154.35 30.02 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 121.205 1.27 . . . . 0.48 111.261 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.89 133.68 22.34 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.402 -0.811 . . . . 0.27 109.972 -179.257 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.526 HG22 ' N ' ' A' ' 36' ' ' CYS . 90.5 m -114.33 162.07 17.08 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.758 0.789 . . . . 0.39 109.724 -179.786 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.526 ' N ' HG22 ' A' ' 35' ' ' THR . 2.0 t -104.91 105.21 50.31 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.696 -0.627 . . . . 0.42 109.408 -179.53 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.27 -5.2 0.35 Allowed 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.879 1.719 . . . . 0.8 113.353 179.641 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.409 HD12 ' CD2' ' A' ' 57' ' ' HIS . 52.8 mt -96.22 -61.36 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 120.643 -1.286 . . . . 0.53 109.872 179.813 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.8 p -110.63 17.34 20.78 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.228 -0.92 . . . . 0.47 109.62 179.901 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 51.61 24.68 2.43 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.58 -0.7 . . . . 0.66 110.654 179.128 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.538 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -61.12 140.44 57.89 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.638 -1.289 . . . . 0.38 107.566 178.317 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 t -95.19 110.8 24.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 121.357 -0.84 . . . . 0.42 109.644 -179.537 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 34' ' ' ALA . 46.4 mm -108.99 129.59 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 107.898 -1.149 . . . . 0.26 107.898 179.06 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -74.48 -58.8 3.06 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.369 -0.832 . . . . 2.05 110.606 -178.639 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.421 ' NE2' ' C8 ' ' B' ' 105' ' ' ' DA' . 93.5 mt-30 -78.71 136.12 37.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.291 -0.88 . . . . 1.22 110.338 -179.03 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 99.8 p -65.89 -38.09 87.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.959 -1.088 . . . . 0.35 109.25 179.138 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.432 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -56.69 -39.63 74.14 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.462 -0.94 . . . . 0.86 108.462 179.838 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 99.5 m-20 -66.08 -31.4 72.25 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.26 -0.9 . . . . 0.33 109.966 179.371 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.2 tp -55.49 -44.84 76.91 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.716 -1.193 . . . . 0.37 108.698 -179.223 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.453 HH11 ' HG2' ' A' ' 50' ' ' ARG . 6.8 mmt-85 -59.73 -41.79 91.7 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 119.355 -0.938 . . . . 3.24 108.542 179.363 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -63.23 -39.84 95.74 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.438 0.637 . . . . 0.45 109.715 -179.514 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -60.56 -40.06 90.22 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.735 -0.603 . . . . 0.33 110.15 -179.267 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.23 -39.95 94.54 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.26 -0.9 . . . . 0.44 110.256 -179.605 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.744 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 85.5 mt-10 -71.81 -25.0 61.82 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.663 -1.273 . . . . 2.08 111.736 -179.238 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.4 mt -97.98 -36.7 10.05 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.989 -1.069 . . . . 0.5 113.113 -177.391 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.564 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 25.6 mmm180 -105.44 7.79 33.28 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 120.677 -1.264 . . . . 2.21 111.907 -177.946 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.564 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 85.3 m-70 -153.1 -67.78 0.15 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.148 -1.595 . . . . 0.67 110.953 179.36 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.467 ' C ' ' H ' ' A' ' 60' ' ' LYS . 45.9 m-85 -77.57 8.03 4.84 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.507 -1.371 . . . . 0.88 109.924 -179.146 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -69.82 21.04 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.761 -0.587 . . . . 1.07 110.512 179.64 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 58' ' ' PHE . 22.2 pttp -84.95 151.08 56.97 Favored Pre-proline 0 N--CA 1.502 2.168 0 O-C-N 121.018 -1.051 . . . . 3.65 108.707 179.87 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -48.72 157.9 1.36 Allowed 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.632 1.555 . . . . 2.33 112.989 -179.394 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.02 174.44 44.78 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 108.825 -1.71 . . . . 3.27 108.825 179.892 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.498 1.95 0 O-C-N 121.195 -1.18 . . . . 5.18 109.707 179.91 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.898 0 O4'-C1'-N19 110.446 3.308 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.481 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.466 0 O4'-C1'-N19 110.473 3.341 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.481 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.907 3.884 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.576 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.029 0 C3'-C2'-C1' 107.042 3.101 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.576 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.439 1 O4'-C1'-N19 111.583 4.729 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.45 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.656 0 C3'-C2'-C1' 107.171 3.194 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.592 ' N3 ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 3.029 1 O4'-C1'-N19 111.108 4.135 . . . . 0.7 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.482 " O5'" H2'' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.242 0 O4'-C1'-N19 110.856 3.82 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.582 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.03 0 C3'-C2'-C1' 106.84 2.957 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.582 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.502 3.378 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.411 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.258 1 O4'-C1'-N19 111.086 4.107 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.783 0 O4'-C1'-N19 110.829 3.786 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.414 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.235 3.043 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.517 ' C2 ' ' N3 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.74 0 O4'-C1'-N19 110.452 3.315 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.517 ' N3 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.734 0 C3'-C2'-C1' 106.545 2.746 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.829 0 O4'-C1'-N19 110.513 3.391 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.486 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.015 1 O4'-C1'-N19 112.195 5.494 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.486 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.306 4.382 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.432 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 P--O5' 1.612 1.865 0 O4'-C1'-N19 110.85 3.812 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.061 1 O4'-C1'-N19 111.301 4.377 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.455 ' N2 ' ' O2 ' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.452 0 O4'-C1'-N19 110.688 3.61 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 1.555 0 O4'-C1'-N19 110.387 3.234 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo . . . . . 0 N--CA 1.495 1.612 0 CA-C-O 121.3 0.458 . . . . 7.56 112.211 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -82.69 129.08 34.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.937 -1.102 . . . . 7.46 109.399 179.74 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.33 141.57 58.53 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.447 -0.945 . . . . 4.04 108.447 -179.851 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -153.89 75.04 1.01 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.135 -0.978 . . . . 4.49 109.877 -179.12 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.592 ' NH2' ' N3 ' ' B' ' 107' ' ' ' DA' . 61.3 mtp180 -86.6 98.78 11.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.012 -1.055 . . . . 0.79 109.382 179.716 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.43 119.1 32.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.404 -0.81 . . . . 0.93 109.597 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -97.87 9.56 42.39 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.027 -1.046 . . . . 2.1 109.707 179.663 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.614 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 6.7 t-80 -83.79 -28.49 0.42 Allowed Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 121.196 -0.94 . . . . 3.25 111.759 -178.888 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 80.3 Cg_exo -48.95 155.5 2.61 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.549 1.499 . . . . 1.0 111.829 -179.555 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.2 168.22 16.41 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.471 2.114 . . . . 1.37 111.52 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.23 27.18 66.57 Favored Glycine 0 N--CA 1.487 2.093 0 N-CA-C 108.684 -1.767 . . . . 1.3 108.684 -179.555 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 21' ' ' THR . 4.1 t -94.24 91.36 6.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -1.09 . . . . 1.05 108.353 179.543 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -78.07 141.32 38.9 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.095 -0.706 . . . . 2.59 109.095 179.819 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -107.67 77.24 0.6 Allowed Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.569 -0.707 . . . . 2.32 110.223 -179.61 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -69.91 141.88 45.77 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 121.2 1.267 . . . . 0.86 111.255 179.42 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.565 HH11 ' HG2' ' A' ' 25' ' ' ARG . 23.2 mtt-85 -74.45 -6.85 50.63 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.17 -0.957 . . . . 3.74 110.048 -179.377 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 m -69.86 -9.26 54.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.048 -1.032 . . . . 0.87 109.988 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' NH1' ' N7 ' ' B' ' 108' ' ' ' DG' . 28.2 mmt180 -100.42 -24.29 14.53 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.152 -0.968 . . . . 1.06 109.261 -179.634 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.5 p -107.68 -31.46 8.06 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.522 -0.736 . . . . 0.66 109.456 179.641 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -61.12 -39.89 91.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 2.82 109.831 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 m -58.56 -26.16 63.28 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.745 0.783 . . . . 0.44 109.501 -179.472 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.578 ' CD ' HH21 ' A' ' 47' ' ' ARG . 75.7 mm-40 -87.45 137.78 32.04 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.586 -0.696 . . . . 1.3 110.431 -178.878 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.481 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 21.1 mp0 -113.58 150.28 43.0 Favored Pre-proline 0 N--CA 1.501 2.093 0 N-CA-C 107.606 -1.257 . . . . 2.07 107.606 178.331 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -50.36 157.03 3.45 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 121.171 1.247 . . . . 0.48 111.033 -179.173 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -141.93 137.02 30.99 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.331 -0.856 . . . . 0.27 109.171 179.736 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.3 m -117.03 142.78 46.53 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 109.084 -0.71 . . . . 0.39 109.084 -179.777 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.9 t -82.63 129.56 62.0 Favored Pre-proline 0 C--N 1.301 -1.533 0 N-CA-C 108.735 -0.839 . . . . 0.42 108.735 179.499 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -77.46 -4.74 14.98 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 121.949 1.766 . . . . 0.8 112.615 -179.431 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.7 mt -100.32 -54.99 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.356 -0.84 . . . . 0.53 110.041 -178.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.635 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.0 p -116.53 22.74 12.55 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.49 -0.756 . . . . 0.47 110.829 -179.512 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 49.18 13.66 0.07 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.917 -1.114 . . . . 0.66 111.097 178.695 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.635 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -54.39 133.36 45.42 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 106.944 -1.502 . . . . 0.38 106.944 178.601 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 t -92.44 110.09 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.203 -0.936 . . . . 0.42 110.114 -177.804 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 34' ' ' ALA . 31.8 mm -105.19 127.9 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 107.764 -1.199 . . . . 0.26 107.764 179.165 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.503 HH11 ' HG2' ' A' ' 44' ' ' ARG . 13.8 mtt-85 -74.52 -60.02 2.47 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.863 -1.148 . . . . 2.05 110.241 -178.866 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -79.65 137.54 37.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.224 -0.922 . . . . 1.22 109.967 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.1 p -66.3 -33.87 76.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.35 109.732 -179.681 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.578 HH21 ' CD ' ' A' ' 31' ' ' GLU . 10.0 ptp180 -57.52 -41.76 81.47 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.123 -0.986 . . . . 0.86 109.62 -179.781 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.483 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.2 m-20 -68.65 -25.55 64.88 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 109.009 -0.738 . . . . 0.33 109.009 -179.271 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.65 -49.79 76.36 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.974 -1.079 . . . . 0.37 108.624 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -57.9 -42.12 84.05 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.157 -1.423 . . . . 3.24 107.157 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -61.68 -36.11 79.93 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.328 0.585 . . . . 0.45 109.839 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -65.74 -39.49 91.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.178 -0.951 . . . . 0.33 109.696 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.01 -45.05 94.04 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.101 -1.0 . . . . 0.44 110.231 -179.164 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.794 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 89.3 mt-10 -70.91 -24.33 62.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.276 -0.89 . . . . 2.08 113.127 -178.712 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 59' ' ' ALA . 83.3 mt -99.85 -34.09 10.28 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.652 -1.28 . . . . 0.5 111.205 -178.19 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.479 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 17.3 mmm180 -104.18 6.61 35.77 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.082 -1.011 . . . . 2.21 112.644 -177.798 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 93.7 m-70 -153.1 -70.37 0.15 Allowed 'General case' 0 N--CA 1.506 2.352 0 O-C-N 119.99 -1.694 . . . . 0.67 111.13 -179.644 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -76.83 7.44 4.74 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.848 -1.158 . . . . 0.88 109.198 -179.236 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.794 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -70.05 -14.51 62.71 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.987 -1.071 . . . . 1.07 109.659 179.806 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 pttm -90.77 154.67 45.71 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 120.881 -1.137 . . . . 3.65 108.887 179.815 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.11 170.22 20.63 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.166 1.911 . . . . 2.33 111.942 179.499 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.69 -169.94 35.11 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 108.705 -1.758 . . . . 3.27 108.705 -179.791 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.7 t . . . . . 0 N--CA 1.502 2.133 0 N-CA-C 108.056 -1.09 . . . . 5.18 108.056 178.437 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.243 1 O4'-C1'-N19 111.111 4.138 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.552 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.833 0 C3'-C2'-C1' 106.991 3.065 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.552 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.634 0 O4'-C1'-N19 110.717 3.647 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.508 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.767 0 O4'-C1'-N19 110.559 3.449 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.508 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.566 1 O4'-C1'-N19 111.373 4.467 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.474 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.54 0 O4'-C1'-N19 110.417 3.271 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.45 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.249 0 O4'-C1'-N19 110.296 3.12 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.533 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.469 1 O4'-C1'-N19 111.314 4.393 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.638 0 O4'-C1'-N19 110.984 3.98 . . . . 0.87 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.416 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.556 0 C3'-C2'-C1' 107.027 3.091 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.416 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.982 0 O4'-C1'-N19 110.468 3.335 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.419 0 O4'-C1'-N19 110.652 3.565 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.62 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.005 0 O4'-C1'-N19 110.426 3.283 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.62 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.681 1 O4'-C1'-N19 111.012 4.014 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.297 0 C3'-C2'-C1' 106.877 2.983 . . . . 0.53 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.564 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.688 1 O4'-C1'-N19 111.012 4.015 . . . . 0.5 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.564 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.545 4.291 1 O4'-C1'-N19 111.851 5.064 . . . . 1.95 . . . . . . . . . . 3 2 . 1 . 033 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.4 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.633 1 O4'-C1'-N19 111.597 4.747 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.4 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.444 1 O4'-C1'-N19 111.019 4.024 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.587 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.441 1 O4'-C1'-N19 111.263 4.329 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.587 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.298 0 O4'-C1'-N19 110.988 3.985 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.42 3.276 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo . . . . . 0 N--CA 1.493 1.461 0 CA-C-O 121.072 0.364 . . . . 7.56 111.79 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -76.49 153.35 35.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.047 -1.033 . . . . 7.46 109.261 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.3 178.34 1.98 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.35 -0.844 . . . . 4.04 109.098 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -143.99 -51.31 0.31 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.171 -0.955 . . . . 4.49 109.502 179.852 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -88.44 91.65 8.88 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.47 -1.393 . . . . 0.79 109.625 179.849 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.03 107.96 20.59 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.395 -0.816 . . . . 0.93 109.863 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -96.51 8.15 44.8 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.299 -0.875 . . . . 2.1 109.697 179.246 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.632 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 35.7 t-80 -83.96 -31.49 0.49 Allowed Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.19 -0.944 . . . . 3.25 112.233 -178.832 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 78.3 Cg_exo -47.06 155.91 0.85 Allowed 'Trans proline' 0 N--CA 1.503 2.083 0 C-N-CA 122.909 2.406 . . . . 1.0 113.234 -179.078 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -68.09 162.93 37.93 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 123.093 2.528 . . . . 1.37 112.743 -178.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.96 12.72 83.84 Favored Glycine 0 N--CA 1.484 1.865 0 N-CA-C 109.16 -1.576 . . . . 1.3 109.16 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 21' ' ' THR . 10.0 t -89.89 90.26 8.1 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.463 -1.022 . . . . 1.05 108.507 179.738 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -82.57 142.51 31.73 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.065 -1.022 . . . . 2.59 109.132 -179.522 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -89.12 111.12 43.15 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.347 -0.846 . . . . 2.32 109.766 -179.862 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -82.58 134.53 7.6 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.933 1.755 . . . . 0.86 111.077 179.201 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -69.07 -18.15 63.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.134 -0.979 . . . . 3.74 111.136 -178.729 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -71.3 -5.36 31.7 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.903 -1.123 . . . . 0.87 110.668 -178.441 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.533 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 13.3 mmt-85 -102.56 -26.24 13.3 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.046 -1.034 . . . . 1.06 110.622 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.3 p -101.94 -39.48 7.33 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 120.96 -1.088 . . . . 0.66 110.669 -178.826 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -63.6 -31.15 72.23 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.829 -1.169 . . . . 2.82 109.315 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.6 m -55.89 -35.64 66.76 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.455 -0.778 . . . . 0.44 109.23 179.895 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -89.89 143.36 26.86 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.286 -0.884 . . . . 1.3 110.387 -179.38 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -117.16 154.66 50.05 Favored Pre-proline 0 N--CA 1.498 1.968 0 N-CA-C 108.112 -1.07 . . . . 2.07 108.112 179.164 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -44.22 153.0 0.35 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.922 1.748 . . . . 0.48 112.281 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -144.44 133.84 23.22 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.197 -0.939 . . . . 0.27 110.685 -179.253 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 36' ' ' CYS . 63.7 m -114.22 162.42 16.57 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.576 -0.702 . . . . 0.39 109.501 179.174 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.512 ' N ' HG22 ' A' ' 35' ' ' THR . 6.7 t -105.89 105.81 54.56 Favored Pre-proline 0 N--CA 1.5 2.064 0 O-C-N 121.23 -0.919 . . . . 0.42 109.968 -179.674 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.56 -7.5 0.87 Allowed 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.223 1.949 . . . . 0.8 113.158 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.452 HD12 ' CD2' ' A' ' 57' ' ' HIS . 53.0 mt -95.71 -63.53 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.93 -1.106 . . . . 0.53 110.116 -178.889 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.578 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.7 p -108.0 14.37 25.29 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.157 -0.965 . . . . 0.47 109.636 -179.892 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 55.38 19.93 3.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.495 -0.753 . . . . 0.66 110.801 179.48 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.578 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.82 138.3 57.83 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.683 -1.261 . . . . 0.38 107.731 178.677 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.4 t -94.27 113.88 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.144 -0.972 . . . . 0.42 109.361 -179.467 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' ALA . 24.4 mm -110.33 126.15 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 107.749 -1.204 . . . . 0.26 107.749 179.066 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.577 HH11 ' HG2' ' A' ' 44' ' ' ARG . 6.4 mtt-85 -74.22 -60.44 2.26 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.843 -1.161 . . . . 2.05 109.826 -179.348 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.461 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 96.5 mt-30 -76.97 132.3 38.94 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.856 -1.152 . . . . 1.22 109.495 179.579 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.6 p -64.58 -40.42 95.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 0.35 110.377 -179.423 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.0 ptp180 -54.32 -42.18 69.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.74 -1.225 . . . . 0.86 108.753 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.473 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 99.1 m-20 -60.16 -31.98 70.62 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.811 -0.756 . . . . 0.33 109.443 179.296 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.1 tp -57.32 -44.45 84.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.007 -1.058 . . . . 0.37 108.841 -179.645 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -59.69 -39.8 85.77 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.93 -1.137 . . . . 3.24 107.93 179.304 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -64.12 -37.55 87.86 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 109.031 -0.729 . . . . 0.45 109.031 178.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -64.19 -44.59 91.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.679 -0.638 . . . . 0.33 110.318 -179.48 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 58' ' ' PHE . 91.6 mt -55.42 -43.3 75.19 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.876 -1.14 . . . . 0.44 110.096 -179.773 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.627 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 41.3 mt-10 -71.31 -28.77 64.34 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.404 -0.81 . . . . 2.08 111.787 -179.257 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -87.7 -40.44 14.13 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.612 -1.305 . . . . 0.5 112.412 -177.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.54 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 19.9 mmm180 -106.09 1.0 25.96 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.843 -1.161 . . . . 2.21 113.392 -176.691 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 72.3 m-70 -148.23 -65.18 0.25 Allowed 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.146 -1.597 . . . . 0.67 111.41 -178.55 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' LEU . 35.1 m-85 -79.96 17.5 0.96 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.381 -0.825 . . . . 0.88 110.556 -178.547 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -69.61 -6.0 28.36 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.118 -0.988 . . . . 1.07 108.756 179.783 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -91.57 150.05 40.42 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 121.463 -0.773 . . . . 3.65 108.918 179.283 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.42 150.39 88.67 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.252 1.968 . . . . 2.33 111.564 179.794 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -175.77 -60.52 0.06 OUTLIER Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.806 -1.318 . . . . 3.27 109.806 -179.661 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.496 1.852 0 O-C-N 121.216 -1.167 . . . . 5.18 108.753 179.557 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.603 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.449 3.311 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.649 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.568 0 O4'-C1'-N19 110.456 3.32 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.649 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.77 0 O4'-C1'-N19 110.377 3.221 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.986 0 O4'-C1'-N19 110.453 3.317 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.813 5.016 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.533 ' N2 ' ' C2 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.493 0 O4'-C1'-N19 110.338 3.172 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.463 H2'' " O5'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.124 0 C3'-C2'-C1' 107.141 3.172 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.503 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.792 1 O4'-C1'-N19 111.316 4.396 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.618 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.545 0 O4'-C1'-N19 110.397 3.247 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.618 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.136 0 O4'-C1'-N19 110.522 3.403 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.369 1 O4'-C1'-N19 111.161 4.201 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.104 0 O4'-C1'-N19 110.98 3.974 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 0 C3'-C2'-C1' 107.052 3.109 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.422 1 O4'-C1'-N19 111.073 4.091 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.684 0 O4'-C1'-N19 110.523 3.404 . . . . 0.53 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.492 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.538 0 O4'-C1'-N19 110.71 3.638 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.501 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.073 0 O4'-C1'-N19 110.953 3.941 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.533 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.507 1 O4'-C1'-N19 111.489 4.612 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.475 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.699 3.624 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.412 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.734 1 O4'-C1'-N19 111.691 4.864 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.53 3.412 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 C3'-C2'-C1' 107.023 3.088 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo . . . . . 0 N--CA 1.491 1.38 0 CA-C-O 121.652 0.605 . . . . 7.56 112.372 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -80.33 -75.21 0.27 Allowed 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.469 -0.77 . . . . 7.46 109.032 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.45 10.25 0.15 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.77 -1.206 . . . . 4.04 110.808 179.668 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.45 127.65 34.14 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.753 -1.217 . . . . 4.49 109.233 179.166 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -89.15 97.54 11.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.543 -0.723 . . . . 0.79 109.395 -179.807 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.59 121.33 36.04 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.146 -0.971 . . . . 0.93 110.698 -179.586 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -89.1 17.93 5.44 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.209 -0.932 . . . . 2.1 109.086 178.475 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.61 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.3 t-80 -79.23 -29.86 0.62 Allowed Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.306 -0.871 . . . . 3.25 112.913 -177.755 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 53.0 Cg_exo -54.4 147.01 48.82 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.563 1.509 . . . . 1.0 112.457 -179.048 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.83 166.62 26.66 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.345 2.03 . . . . 1.37 112.543 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.62 34.52 53.61 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.362 -1.095 . . . . 1.3 110.362 179.422 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 21' ' ' THR . 9.7 t -89.42 93.96 9.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.132 -1.216 . . . . 1.05 109.13 -179.916 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -81.3 154.32 26.61 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.248 -0.907 . . . . 2.59 108.659 179.713 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -106.6 98.18 19.54 Favored Pre-proline 0 N--CA 1.503 2.221 0 O-C-N 121.498 -0.751 . . . . 2.32 110.362 -179.461 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -70.67 138.66 35.42 Favored 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 120.938 1.092 . . . . 0.86 110.996 178.33 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -67.9 -21.27 65.15 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.421 -0.8 . . . . 3.74 109.858 179.89 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.8 m -70.65 -1.64 11.9 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.138 -0.976 . . . . 0.87 111.595 -178.933 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.503 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 29.0 mmt180 -104.42 -25.77 12.69 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.762 -1.212 . . . . 1.06 109.429 -179.68 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 p -104.96 -30.86 9.53 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.446 -0.784 . . . . 0.66 109.519 -179.868 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -59.85 -40.64 89.23 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.324 -0.86 . . . . 2.82 109.866 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.9 m -59.59 -23.25 62.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.287 -0.883 . . . . 0.44 109.501 179.867 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -92.14 137.13 32.62 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.33 -0.856 . . . . 1.3 109.796 -179.625 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -125.93 151.47 71.39 Favored Pre-proline 0 N--CA 1.502 2.134 0 N-CA-C 108.486 -0.931 . . . . 2.07 108.486 179.402 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -41.72 149.61 0.24 Allowed 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.317 1.345 . . . . 0.48 112.515 -179.071 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -143.66 133.5 23.94 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.422 -0.799 . . . . 0.27 110.522 -179.872 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.53 HG22 ' N ' ' A' ' 36' ' ' CYS . 78.5 m -111.96 161.93 15.89 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.516 -0.74 . . . . 0.39 109.774 179.559 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.53 ' N ' HG22 ' A' ' 35' ' ' THR . 4.1 t -104.59 104.69 46.73 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 121.753 -0.592 . . . . 0.42 109.798 179.601 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.08 -5.37 0.52 Allowed 'Trans proline' 0 N--CA 1.5 1.863 0 C-N-CA 121.873 1.715 . . . . 0.8 113.021 179.469 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 38' ' ' ILE . 7.0 mt -96.17 -61.63 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 120.798 -1.189 . . . . 0.53 109.808 -179.459 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 18.0 p -109.94 16.55 21.87 Favored 'General case' 0 N--CA 1.507 2.379 0 O-C-N 121.296 -0.878 . . . . 0.47 109.221 179.292 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 53.26 17.24 0.97 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.58 -0.7 . . . . 0.66 111.029 179.099 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.666 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.3 140.19 53.84 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.885 -1.134 . . . . 0.38 108.21 179.342 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.2 t -93.48 111.83 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.184 -0.947 . . . . 0.42 110.19 -178.311 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 34' ' ' ALA . 23.4 mm -109.1 132.3 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 107.567 -1.272 . . . . 0.26 107.567 178.895 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -74.36 -65.31 0.87 Allowed 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 118.84 -1.144 . . . . 2.05 109.977 -178.899 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.67 ' NE2' HH21 ' A' ' 47' ' ' ARG . 81.8 mt-30 -78.93 139.58 38.24 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.231 -0.918 . . . . 1.22 111.042 -178.75 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.4 p -66.73 -39.96 88.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.524 -0.735 . . . . 0.35 109.867 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.67 HH21 ' NE2' ' A' ' 45' ' ' GLN . 27.3 ptt180 -54.66 -39.29 67.89 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.031 -1.043 . . . . 0.86 109.167 -179.785 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -70.01 -27.35 64.61 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.072 -1.017 . . . . 0.33 109.465 179.323 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.45 -47.09 85.13 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.135 -0.978 . . . . 0.37 109.2 -179.709 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.9 ttm-85 -59.89 -40.2 87.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.513 -1.367 . . . . 3.24 107.894 179.184 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -63.01 -37.15 86.02 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.551 -0.718 . . . . 0.45 109.625 179.645 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -61.64 -38.28 87.13 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.495 -0.753 . . . . 0.33 109.515 179.614 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.78 -44.14 94.03 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.303 -0.873 . . . . 0.44 110.334 -179.589 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.681 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 94.4 mt-10 -75.18 -20.46 59.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.275 -0.891 . . . . 2.08 112.172 -178.614 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -97.41 -39.42 9.19 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.795 -1.191 . . . . 0.5 111.48 -179.165 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -105.66 12.52 31.0 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.085 -1.009 . . . . 2.21 112.415 -177.361 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -151.03 -71.94 0.17 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.247 -1.533 . . . . 0.67 111.429 179.821 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -79.94 10.76 3.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.194 -0.941 . . . . 0.88 109.585 -178.317 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.75 -5.82 36.87 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.497 -0.752 . . . . 1.07 109.238 179.508 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -90.16 133.02 34.25 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.303 -0.873 . . . . 3.65 109.763 -179.253 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.15 140.43 31.0 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 121.939 1.759 . . . . 2.33 111.651 179.901 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.52 131.85 17.25 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.065 -1.614 . . . . 3.27 109.065 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 117.813 -1.089 . . . . 5.18 108.852 179.849 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.58 0 O4'-C1'-N19 110.491 3.364 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.489 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.956 0 O4'-C1'-N19 110.944 3.93 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.489 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.343 0 O4'-C1'-N19 110.343 3.179 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.469 ' O6 ' ' NH1' ' A' ' 51' ' ' ARG . . . . . . . . 0 C5'--C4' 1.524 1.636 1 O4'-C1'-N19 111.504 4.63 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.555 3.444 . . . . 0.41 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.55 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.464 0 O4'-C1'-N19 110.632 3.54 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.561 ' N7 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.635 0 O4'-C1'-N19 110.63 3.537 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.587 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.497 0 O4'-C1'-N19 110.847 3.809 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.587 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.713 3.642 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 0 C3'-C2'-C1' 106.83 2.95 . . . . 0.86 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.368 1 O4'-C1'-N19 111.514 4.643 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.133 0 O4'-C1'-N19 110.671 3.589 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.754 0 O4'-C1'-N19 110.793 3.741 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.439 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.755 1 O4'-C1'-N19 111.25 4.313 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.439 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.478 0 O4'-C1'-N19 110.399 3.248 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.722 ' H71' ' OP2' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.717 0 O4'-C1'-N19 110.464 3.33 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.513 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.767 1 O4'-C1'-N19 111.396 4.495 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.475 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.634 1 O4'-C1'-N19 111.958 5.197 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.311 1 O4'-C1'-N19 111.135 4.168 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.224 1 O4'-C1'-N19 111.033 4.041 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.942 1 O4'-C1'-N19 111.119 4.149 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.229 0 O4'-C1'-N19 110.262 3.078 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo . . . . . 0 N--CA 1.492 1.384 0 CA-C-O 121.248 0.437 . . . . 7.56 112.12 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' H ' ' HD2' ' A' ' 11' ' ' LYS . 9.2 mptt -79.18 132.32 36.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.43 -0.794 . . . . 7.46 109.075 179.85 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.0 -79.01 0.06 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.088 -1.007 . . . . 4.04 110.792 -179.396 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -82.84 152.02 25.8 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.09 -1.006 . . . . 4.49 109.242 -179.389 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -84.91 103.81 14.29 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.911 -1.118 . . . . 0.79 109.14 179.426 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.74 132.69 40.68 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.014 -1.054 . . . . 0.93 110.589 -179.821 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -95.36 1.66 54.37 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.548 -0.72 . . . . 2.1 109.58 178.008 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.632 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 89.4 m-70 -81.99 -28.15 0.45 Allowed Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.336 -0.852 . . . . 3.25 112.542 -178.303 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 75.9 Cg_exo -51.78 151.82 14.47 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 121.887 1.725 . . . . 1.0 113.024 -178.912 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -70.6 166.25 29.25 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.949 2.433 . . . . 1.37 112.464 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.62 35.2 59.3 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 110.032 -1.227 . . . . 1.3 110.032 -179.795 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 21' ' ' THR . 9.8 t -92.08 89.71 7.06 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.107 -1.231 . . . . 1.05 108.491 179.803 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -81.39 140.1 34.9 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.091 -1.005 . . . . 2.59 109.617 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -105.06 72.24 0.22 Allowed Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 121.377 -0.827 . . . . 2.32 110.544 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.06 145.02 59.85 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.048 1.832 . . . . 0.86 111.925 179.587 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.505 HH11 ' HG2' ' A' ' 25' ' ' ARG . 11.5 mmt-85 -72.99 -3.51 26.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.974 -1.079 . . . . 3.74 109.668 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -71.04 -13.41 61.98 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.684 -1.26 . . . . 0.87 109.822 -179.501 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.561 ' NE ' ' N7 ' ' B' ' 107' ' ' ' DA' . 7.4 mmt-85 -98.52 -20.94 16.78 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.269 -0.894 . . . . 1.06 110.324 179.563 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.0 p -109.42 -38.15 5.54 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.242 -0.911 . . . . 0.66 109.601 -179.649 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.456 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 64.8 tp60 -59.04 -38.05 78.44 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.872 -1.143 . . . . 2.82 109.337 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 m -59.11 -28.26 66.36 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.114 -0.991 . . . . 0.44 109.051 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -88.57 136.03 33.2 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.389 -0.819 . . . . 1.3 108.813 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 29' ' ' GLN . 54.2 mm-40 -116.46 150.93 46.32 Favored Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 109.113 -0.699 . . . . 2.07 109.113 -179.369 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -40.09 155.13 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.074 1.849 . . . . 0.48 112.473 -179.703 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.532 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -147.87 135.42 20.77 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.124 -0.985 . . . . 0.27 111.483 -178.793 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.3 m -117.42 145.45 44.11 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-O 121.682 0.753 . . . . 0.39 110.091 179.174 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.0 t -85.83 122.3 72.96 Favored Pre-proline 0 N--CA 1.493 1.676 0 N-CA-C 108.36 -0.978 . . . . 0.42 108.36 178.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -77.83 1.73 8.58 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.586 1.524 . . . . 0.8 111.653 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.4 mt -99.26 -51.76 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.454 -0.779 . . . . 0.53 109.813 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.5 p -121.73 14.85 10.96 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.43 -0.794 . . . . 0.47 109.934 -179.749 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 56.15 15.79 2.0 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.526 -0.734 . . . . 0.66 111.143 179.092 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.633 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.14 134.87 56.86 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.321 -1.363 . . . . 0.38 107.321 177.872 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.7 t -95.58 114.45 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 120.693 -1.254 . . . . 0.42 110.526 -179.325 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.7 mm -110.53 134.65 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 106.606 -1.627 . . . . 0.26 106.606 177.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -74.9 -59.68 2.63 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 120.482 -1.386 . . . . 2.05 111.57 -177.567 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.564 ' OE1' ' NH1' ' A' ' 47' ' ' ARG . 82.6 mt-30 -79.91 137.75 36.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.387 -0.821 . . . . 1.22 110.723 -178.385 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.5 p -65.95 -39.45 90.45 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.293 -0.879 . . . . 0.35 110.535 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.714 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -61.91 -36.54 81.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.208 -1.557 . . . . 0.86 108.809 179.21 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.465 ' ND2' HH12 ' A' ' 47' ' ' ARG . 98.6 m-20 -66.23 -31.66 72.62 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.034 -1.041 . . . . 0.33 108.679 178.612 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.532 HD22 ' HB1' ' A' ' 34' ' ' ALA . 61.8 tp -60.02 -40.3 88.83 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.153 -0.967 . . . . 0.37 109.76 -179.628 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' A' ' 50' ' ' ARG . 8.3 mtt-85 -59.14 -40.7 86.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.989 -1.069 . . . . 3.24 108.167 -179.649 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' NH1' ' O6 ' ' B' ' 104' ' ' ' DG' . 45.4 ttp180 -60.55 -40.26 90.92 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.445 0.641 . . . . 0.45 109.842 179.528 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -61.83 -34.91 76.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.472 -0.768 . . . . 0.33 109.517 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.35 -45.04 94.87 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.959 -1.088 . . . . 0.44 109.489 179.766 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.789 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 46.6 mt-10 -77.17 -16.14 59.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.855 -1.153 . . . . 2.08 112.839 -178.168 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.8 mt -99.28 -40.88 7.71 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.333 -1.48 . . . . 0.5 111.679 -178.641 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' HG3' HH11 ' A' ' 56' ' ' ARG . 20.5 mmm-85 -105.06 15.44 27.6 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.986 -1.071 . . . . 2.21 112.231 -178.327 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.407 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.9 m-70 -150.68 -73.68 0.16 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.398 -1.439 . . . . 0.67 111.212 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' C ' ' H ' ' A' ' 60' ' ' LYS . 92.2 m-85 -80.23 8.84 6.55 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.756 -1.215 . . . . 0.88 110.094 -178.768 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.789 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.44 17.86 0.08 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.218 -0.926 . . . . 1.07 110.372 -179.326 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 58' ' ' PHE . 59.7 mttm -84.7 152.97 60.75 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 120.959 -1.088 . . . . 3.65 109.333 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -48.46 154.42 2.71 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.709 1.606 . . . . 2.33 112.314 -179.773 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.6 -119.08 0.6 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.305 -1.518 . . . . 3.27 109.305 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.493 1.686 0 O-C-N 121.44 -1.035 . . . . 5.18 109.289 179.69 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.604 3.505 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.487 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.662 0 C3'-C2'-C1' 106.812 2.937 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.487 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.355 0 O4'-C1'-N19 110.48 3.35 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.222 4.277 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.498 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.536 3.165 1 O4'-C1'-N19 111.928 5.16 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.059 0 O4'-C1'-N19 110.686 3.607 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.561 0 O4'-C1'-N19 110.221 3.026 . . . . 0.7 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.476 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.951 0 O4'-C1'-N19 110.779 3.724 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.528 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.923 0 O4'-C1'-N19 110.781 3.726 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.528 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.247 0 C3'-C2'-C1' 107.32 3.3 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.593 0 O4'-C1'-N19 110.776 3.721 . . . . 0.96 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.664 0 O4'-C1'-N19 110.534 3.417 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.498 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.525 3.406 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.498 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.444 1 O4'-C1'-N19 111.362 4.452 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.695 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.001 0 O4'-C1'-N19 110.853 3.816 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.695 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.736 0 O4'-C1'-N19 110.912 3.89 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.453 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.13 1 O4'-C1'-N19 111.385 4.481 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.469 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.299 4.374 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.469 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.983 0 O4'-C1'-N19 110.678 3.598 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.506 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.148 0 O4'-C1'-N19 110.859 3.823 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.506 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.013 0 O4'-C1'-N19 110.533 3.416 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 0 C3'-C2'-C1' 107.019 3.085 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 N--CA 1.496 1.632 0 CA-C-O 121.246 0.436 . . . . 7.56 112.03 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -80.83 125.08 29.65 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.259 -0.901 . . . . 7.46 109.623 179.764 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.65 -139.39 0.07 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.219 -0.925 . . . . 4.04 109.758 -179.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -169.12 1.7 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.38 -0.825 . . . . 4.49 108.797 -179.753 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -79.09 107.65 12.01 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.396 -0.815 . . . . 0.79 109.405 -179.235 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.05 131.17 44.69 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.641 -0.662 . . . . 0.93 110.344 -179.749 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -91.59 12.84 19.67 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.41 -0.806 . . . . 2.1 109.204 178.662 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 64.4 t-80 -77.04 -31.83 0.92 Allowed Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.156 -0.965 . . . . 3.25 111.765 -178.869 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 32.5 Cg_exo -57.19 151.29 52.3 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 121.698 1.598 . . . . 1.0 112.113 -178.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.07 177.99 7.09 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.514 2.143 . . . . 1.37 112.654 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.33 22.75 67.05 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.56 -1.016 . . . . 1.3 110.56 179.269 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -92.53 83.62 4.96 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.82 -1.4 . . . . 1.05 109.675 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.3 mp0 -83.02 167.7 17.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.458 -0.776 . . . . 2.59 109.023 179.375 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -105.26 73.17 0.24 Allowed Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 121.145 -0.972 . . . . 2.32 110.259 179.561 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -72.51 134.13 21.89 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.744 1.63 . . . . 0.86 111.522 179.298 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' A' ' 25' ' ' ARG . 33.5 mtt-85 -72.8 -9.52 58.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.197 -0.94 . . . . 3.74 109.518 -179.957 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.1 m -68.94 -4.72 17.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.945 -1.097 . . . . 0.87 109.907 -179.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.465 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 29.4 mmt180 -106.96 -29.93 9.15 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.286 -0.884 . . . . 1.06 108.859 179.674 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.5 p -101.32 -29.98 11.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.37 -0.831 . . . . 0.66 109.375 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.85 -38.78 89.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.929 -1.107 . . . . 2.82 108.669 179.356 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.1 m -59.71 -28.02 66.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.397 -0.815 . . . . 0.44 109.619 179.279 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.533 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 79.7 mm-40 -92.78 134.29 35.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.072 -1.017 . . . . 1.3 109.921 -178.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -114.6 155.91 45.44 Favored Pre-proline 0 N--CA 1.501 2.106 0 N-CA-C 109.382 -0.599 . . . . 2.07 109.382 -179.5 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -49.01 150.84 6.37 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 C-N-CA 121.708 1.605 . . . . 0.48 111.777 179.475 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -142.46 135.1 28.11 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.228 -0.92 . . . . 0.27 110.133 -179.508 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.7 m -114.87 138.21 51.06 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.489 -0.757 . . . . 0.39 109.922 179.728 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.78 133.02 73.66 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.406 -0.809 . . . . 0.42 109.051 179.132 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -78.72 -7.85 15.71 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 121.525 1.483 . . . . 0.8 112.735 179.721 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.6 mt -99.06 -54.7 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.087 -1.008 . . . . 0.53 111.107 -178.928 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.2 p -115.95 21.65 13.62 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.285 -0.885 . . . . 0.47 110.44 -179.386 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 48.61 18.89 0.2 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.272 -0.892 . . . . 0.66 112.136 178.522 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.491 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.18 132.77 54.56 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 107.544 -1.28 . . . . 0.38 107.544 178.336 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.18 112.2 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.995 -1.066 . . . . 0.42 109.573 -179.154 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 34' ' ' ALA . 9.4 mm -109.96 129.58 64.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 107.971 -1.122 . . . . 0.26 107.971 179.209 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' A' ' 44' ' ' ARG . 37.9 mtt-85 -72.66 -57.66 3.95 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.305 -0.872 . . . . 2.05 111.248 -178.642 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.498 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 87.0 mt-30 -79.84 131.42 35.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.057 -1.027 . . . . 1.22 111.065 -179.077 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.6 p -64.76 -34.49 78.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.453 -0.78 . . . . 0.35 109.309 179.187 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.588 ' NH1' ' H73' ' C' ' 116' ' ' ' DT' . 0.0 OUTLIER -60.84 -30.68 70.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.771 -1.206 . . . . 0.86 107.948 178.762 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -77.47 -25.18 50.27 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.673 -0.862 . . . . 0.33 108.673 179.299 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.07 -51.99 67.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.249 -0.907 . . . . 0.37 109.199 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -61.35 -37.67 84.17 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.572 -1.33 . . . . 3.24 108.469 179.518 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -61.46 -39.56 91.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.232 -0.918 . . . . 0.45 109.014 178.94 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -60.44 -38.37 83.92 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.571 -0.705 . . . . 0.33 109.656 179.582 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.2 mt -58.48 -41.0 84.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.142 -0.974 . . . . 0.44 110.107 -179.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.685 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 72.0 mm-40 -74.3 -17.09 60.9 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.057 -1.027 . . . . 2.08 111.641 -179.232 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.7 mt -100.63 -39.51 7.84 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.793 -1.192 . . . . 0.5 112.48 -178.32 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.531 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 19.1 mmm-85 -109.52 14.65 23.41 Favored 'General case' 0 N--CA 1.51 2.53 0 O-C-N 120.878 -1.139 . . . . 2.21 112.349 -177.423 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 93.7 m-70 -154.63 -69.74 0.13 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.304 -1.498 . . . . 0.67 110.378 -179.835 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -81.66 11.25 4.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.407 -0.808 . . . . 0.88 110.116 -179.56 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -70.57 6.84 1.26 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.367 -0.833 . . . . 1.07 110.267 -179.457 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -89.16 153.25 48.83 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 120.887 -1.133 . . . . 3.65 109.149 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -47.24 129.56 15.91 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 121.896 1.731 . . . . 2.33 112.41 179.661 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.71 135.08 16.28 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.73 -1.348 . . . . 3.27 109.73 179.661 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.497 1.9 0 O-C-N 121.455 -1.027 . . . . 5.18 108.919 179.398 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 0 O4'-C1'-N19 110.548 3.435 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.796 0 O4'-C1'-N19 110.583 3.478 . . . . 0.77 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.152 1 O4'-C1'-N19 111.314 4.392 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.56 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.886 0 O4'-C1'-N19 110.862 3.828 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.56 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.803 1 O4'-C1'-N19 111.399 4.499 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.482 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.699 0 C3'-C2'-C1' 107.079 3.128 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.471 ' H2 ' ' O2 ' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.897 0 O4'-C1'-N19 110.914 3.893 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.502 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.044 4.055 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.511 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.903 0 O4'-C1'-N19 110.92 3.9 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.6 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.784 0 C3'-C2'-C1' 107.022 3.087 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.6 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.689 0 O4'-C1'-N19 110.934 3.918 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 1 O4'-C1'-N19 111.057 4.071 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.445 ' H71' ' OP2' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.898 0 O4'-C1'-N19 110.209 3.011 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.452 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-N19 110.869 3.836 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.452 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.634 0 C3'-C2'-C1' 106.815 2.939 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.574 ' H73' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.528 0 C3'-C2'-C1' 107.041 3.101 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.471 ' O2 ' ' H2 ' ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.927 1 O4'-C1'-N19 111.251 4.314 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.439 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.889 1 O4'-C1'-N19 111.473 4.591 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.459 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.475 0 O4'-C1'-N19 110.945 3.932 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.495 ' C2 ' ' C5 ' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 111.536 4.67 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.495 ' C5 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.748 0 O4'-C1'-N19 110.707 3.634 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.135 0 C3'-C2'-C1' 106.931 3.022 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 N--CA 1.494 1.508 0 CA-C-O 121.342 0.476 . . . . 7.56 112.185 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -155.16 149.35 25.92 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.268 -0.895 . . . . 7.46 108.956 -179.741 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.06 -139.42 0.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.803 -1.186 . . . . 4.04 109.878 179.638 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -156.59 172.99 17.59 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.925 -0.769 . . . . 4.49 108.925 179.657 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -87.04 102.87 14.83 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.044 -1.035 . . . . 0.79 110.274 -179.387 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.15 119.47 35.71 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.198 -0.939 . . . . 0.93 110.532 179.761 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -91.99 9.86 31.41 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.29 -0.882 . . . . 2.1 109.255 178.441 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.62 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.7 t60 -81.98 -27.95 0.45 Allowed Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.131 -0.981 . . . . 3.25 113.214 -177.475 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 70.1 Cg_exo -52.17 148.99 22.99 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.665 1.577 . . . . 1.0 111.979 -179.165 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.15 166.76 27.22 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.019 1.812 . . . . 1.37 112.574 -179.512 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.91 30.49 63.41 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 109.352 -1.499 . . . . 1.3 109.352 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 21' ' ' THR . 9.8 t -85.96 98.95 11.1 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.028 -1.278 . . . . 1.05 108.907 -179.854 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -81.91 148.95 28.48 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.771 -0.825 . . . . 2.59 108.771 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -101.32 85.97 0.68 Allowed Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 121.136 -0.978 . . . . 2.32 109.557 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.96 136.79 58.76 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.339 1.36 . . . . 0.86 111.876 -179.182 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -75.16 -11.24 60.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.7 -0.625 . . . . 3.74 111.897 -178.486 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -69.64 -4.55 19.89 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.23 -1.544 . . . . 0.87 109.251 -179.467 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.502 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 19.1 mmt180 -97.65 -21.89 16.77 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.472 -0.767 . . . . 1.06 109.994 -179.274 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.5 p -109.15 -33.6 6.83 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.139 -0.976 . . . . 0.66 110.255 -179.435 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -66.91 -30.91 71.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.854 -1.154 . . . . 2.82 108.715 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.4 m -67.14 -28.65 68.31 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.143 -0.973 . . . . 0.44 108.536 178.855 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.526 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 64.5 mm-40 -95.68 139.96 31.17 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.367 -0.833 . . . . 1.3 109.533 179.555 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -119.81 154.09 54.96 Favored Pre-proline 0 N--CA 1.498 1.935 0 N-CA-C 107.863 -1.162 . . . . 2.07 107.863 178.843 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -43.67 154.31 0.22 Allowed 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 121.713 1.609 . . . . 0.48 112.253 -179.715 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.03 142.48 29.8 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.247 -0.908 . . . . 0.27 110.299 179.694 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.7 m -117.42 149.32 40.74 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.548 -0.72 . . . . 0.39 109.645 179.361 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.6 t -86.47 129.88 51.47 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 121.225 -0.922 . . . . 0.42 108.644 178.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.23 -3.81 13.74 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.82 1.68 . . . . 0.8 112.477 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.7 mt -101.31 -55.14 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.337 -0.852 . . . . 0.53 110.033 -179.627 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.1 p -118.06 26.06 9.91 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.392 -0.818 . . . . 0.47 110.579 -179.297 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 45.17 18.55 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.149 -0.969 . . . . 0.66 112.132 178.709 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.554 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.49 137.11 53.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.586 -1.321 . . . . 0.38 107.71 178.185 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -92.75 112.43 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.752 -1.218 . . . . 0.42 109.217 -179.2 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.1 mm -109.23 127.52 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.892 -1.151 . . . . 0.26 107.892 179.268 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.447 HH11 ' HG2' ' A' ' 44' ' ' ARG . 24.9 mtt-85 -71.93 -59.77 2.58 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.952 -1.092 . . . . 2.05 110.652 -179.116 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.466 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 98.2 mt-30 -79.79 137.81 37.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.907 -1.12 . . . . 1.22 110.67 -179.45 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 p -67.57 -32.28 72.93 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.516 -0.74 . . . . 0.35 109.999 179.589 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.574 ' NH1' ' H73' ' C' ' 116' ' ' ' DT' . 0.0 OUTLIER -63.34 -31.81 73.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.773 -1.205 . . . . 0.86 108.94 179.778 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -79.56 -14.16 59.04 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.97 -1.081 . . . . 0.33 108.173 179.174 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.6 tp -68.1 -53.25 26.84 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.121 -0.987 . . . . 0.37 108.668 179.183 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -61.78 -36.88 82.36 Favored 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 118.766 -1.174 . . . . 3.24 108.157 179.802 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -62.63 -40.11 95.95 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.431 -0.951 . . . . 0.45 108.431 178.152 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -59.95 -36.98 78.23 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.531 -0.914 . . . . 0.33 108.531 179.544 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.68 -44.64 96.27 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.034 -1.042 . . . . 0.44 109.449 178.888 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.748 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 85.4 mt-10 -73.7 -22.68 59.84 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.096 -1.003 . . . . 2.08 111.922 -179.291 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.2 mt -95.27 -40.58 9.48 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.938 -1.101 . . . . 0.5 112.027 -178.172 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.6 mmm-85 -108.44 17.23 22.32 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 120.714 -1.242 . . . . 2.21 111.815 -178.055 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.8 m-70 -153.42 -75.13 0.12 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.27 -1.519 . . . . 0.67 110.627 179.058 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -77.97 12.64 1.69 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.023 -1.048 . . . . 0.88 109.572 -179.568 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -72.79 -8.65 56.48 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.296 -0.877 . . . . 1.07 110.029 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -89.61 130.97 41.36 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 120.918 -1.114 . . . . 3.65 109.485 -179.384 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -79.45 129.62 8.57 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.004 1.803 . . . . 2.33 111.673 179.317 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -170.95 117.97 0.72 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.432 -1.467 . . . . 3.27 109.432 179.967 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.497 ' OXT' HG13 ' A' ' 63' ' ' VAL . 14.9 p . . . . . 0 N--CA 1.496 1.844 0 CA-C-O 118.055 -0.974 . . . . 5.18 109.109 -179.799 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.68 0 O4'-C1'-N19 110.392 3.24 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.473 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.013 1 O4'-C1'-N19 111.144 4.181 . . . . 0.77 . . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.473 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.72 3.65 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.48 1 O4'-C1'-N19 111.256 4.32 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.498 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.148 1 O4'-C1'-N19 111.517 4.646 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.498 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.494 0 C3'-C2'-C1' 107.075 3.125 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.399 1 O4'-C1'-N19 111.089 4.112 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.504 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.87 0 O4'-C1'-N19 110.98 3.974 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.478 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.084 0 O4'-C1'-N19 110.505 3.381 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.48 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.234 1 O4'-C1'-N19 111.049 4.061 . . . . 0.86 . . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.48 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.963 3.954 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.72 3.651 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.517 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.273 0 O4'-C1'-N19 110.246 3.058 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.517 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.628 0 O4'-C1'-N19 110.737 3.671 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.485 " O5'" H2'' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.483 0 O4'-C1'-N19 110.369 3.211 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.598 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.704 0 O4'-C1'-N19 110.508 3.384 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.598 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.579 1 O4'-C1'-N19 111.294 4.368 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.581 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.076 1 O4'-C1'-N19 111.864 5.081 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 1.885 0 O4'-C1'-N19 110.821 3.776 . . . . 0.64 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.685 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.885 0 O4'-C1'-N19 110.886 3.857 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.685 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.693 1 O4'-C1'-N19 111.156 4.195 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . 0.495 ' H6 ' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.503 0 C3'-C2'-C1' 107.031 3.093 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo . . . . . 0 N--CA 1.492 1.432 0 CA-C-O 121.306 0.461 . . . . 7.56 112.075 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -154.99 74.65 0.93 Allowed 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.249 -0.907 . . . . 7.46 109.736 -179.639 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.43 -65.04 0.09 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.996 -1.065 . . . . 4.04 109.126 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -156.05 98.09 1.85 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.498 -0.751 . . . . 4.49 110.091 -179.637 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -88.78 106.69 18.53 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.616 -0.883 . . . . 0.79 108.616 179.05 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.94 109.08 21.13 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.244 -0.91 . . . . 0.93 109.949 -179.869 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -90.78 13.77 15.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.302 -0.874 . . . . 2.1 109.543 179.248 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.402 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -78.08 -49.33 1.96 Allowed Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 120.881 -1.137 . . . . 3.25 110.432 -178.954 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 83.1 Cg_exo -46.44 155.82 0.67 Allowed 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.755 1.637 . . . . 1.0 111.55 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -67.83 177.69 4.01 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 121.893 1.729 . . . . 1.37 112.315 -178.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.06 20.16 76.19 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.812 -1.315 . . . . 1.3 109.812 -179.71 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.59 84.66 5.53 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.185 -1.185 . . . . 1.05 108.741 179.471 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -78.52 148.4 33.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.424 -0.798 . . . . 2.59 109.984 -179.514 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -105.52 75.11 0.3 Allowed Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 121.46 -0.775 . . . . 2.32 110.488 -179.244 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -63.47 138.62 66.34 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.089 1.193 . . . . 0.86 111.123 179.552 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -72.66 -7.52 50.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.282 -0.886 . . . . 3.74 110.237 -179.109 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.8 m -71.24 -6.28 38.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.755 -1.216 . . . . 0.87 109.747 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.504 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 29.1 mmt180 -103.81 -26.69 12.61 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.108 -0.995 . . . . 1.06 110.611 -178.516 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.0 p -99.2 -34.39 10.37 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.896 -1.127 . . . . 0.66 110.265 -179.312 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -63.77 -30.67 71.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.057 -1.027 . . . . 2.82 109.709 179.47 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -56.86 -32.9 66.28 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.093 -1.004 . . . . 0.44 109.7 179.674 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' A' ' 47' ' ' ARG . 58.0 mm-40 -95.63 145.12 25.5 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.043 -1.035 . . . . 1.3 110.418 -179.571 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -112.82 150.41 42.75 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 107.052 -1.462 . . . . 2.07 107.052 178.735 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -44.19 153.0 0.35 Allowed 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.16 1.24 . . . . 0.48 111.583 -179.159 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.5 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -145.45 133.68 21.67 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.211 -0.931 . . . . 0.27 110.984 -179.15 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 36' ' ' CYS . 88.7 m -113.45 161.51 17.24 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.505 0.669 . . . . 0.39 109.926 179.557 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.529 ' N ' HG22 ' A' ' 35' ' ' THR . 5.1 t -105.12 104.55 47.68 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.56 -0.712 . . . . 0.42 110.365 -179.857 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.77 -3.67 0.47 Allowed 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.09 1.86 . . . . 0.8 113.534 179.099 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.8 mt -97.02 -53.01 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.184 0 O-C-N 120.727 -1.233 . . . . 0.53 110.238 -179.038 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.5 p -120.67 14.35 11.76 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.391 -0.818 . . . . 0.47 108.844 179.58 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 36' ' ' CYS . 95.5 m-85 54.43 20.72 2.89 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.649 -0.657 . . . . 0.66 111.017 179.198 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.54 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.9 135.91 57.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.55 -1.344 . . . . 0.38 107.551 178.564 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.2 t -93.99 111.74 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.96 -1.087 . . . . 0.42 109.824 -178.71 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.5 mm -112.15 120.26 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 N-CA-C 108.053 -1.092 . . . . 0.26 108.053 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -67.83 -51.46 48.29 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.901 -1.124 . . . . 2.05 111.326 -178.463 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -82.03 132.52 35.26 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.012 -1.055 . . . . 1.22 110.778 -179.463 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.3 p -62.28 -39.51 93.19 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.511 -0.743 . . . . 0.35 109.31 179.053 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.565 ' NH1' ' H73' ' C' ' 116' ' ' ' DT' . 0.0 OUTLIER -59.8 -39.69 85.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.177 -0.952 . . . . 0.86 109.311 179.994 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.44 -31.81 73.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.777 -1.202 . . . . 0.33 109.313 179.041 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD22 ' HB1' ' A' ' 34' ' ' ALA . 62.6 tp -59.97 -40.84 90.45 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.825 -1.172 . . . . 0.37 109.195 -179.8 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.92 -44.39 94.35 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.997 -1.112 . . . . 3.24 107.997 179.43 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -63.93 -36.79 85.12 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.563 -0.711 . . . . 0.45 109.864 179.111 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -61.34 -42.11 98.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.335 -0.853 . . . . 0.33 109.601 -179.797 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.24 -43.54 96.01 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.363 -0.836 . . . . 0.44 111.254 -179.642 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.677 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 77.6 mm-40 -71.45 -25.76 62.44 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.074 -1.016 . . . . 2.08 112.397 -178.189 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.5 mt -98.17 -31.42 12.11 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.82 -1.175 . . . . 0.5 111.949 -177.781 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.558 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 3.3 mmp_? -105.3 0.31 26.97 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.014 -1.054 . . . . 2.21 112.566 -177.602 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.558 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 77.6 m-70 -149.66 -68.31 0.21 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.271 -1.518 . . . . 0.67 111.146 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -76.28 10.13 2.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.027 -1.046 . . . . 0.88 109.455 -178.962 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -69.01 -9.33 51.87 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.707 -1.22 . . . . 1.07 107.707 178.852 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -89.05 158.86 46.41 Favored Pre-proline 0 C--N 1.303 -1.442 0 N-CA-C 108.315 -0.994 . . . . 3.65 108.315 179.496 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -48.52 160.49 0.59 Allowed 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.544 1.496 . . . . 2.33 112.052 179.768 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.35 -87.7 0.03 OUTLIER Glycine 0 N--CA 1.486 1.978 0 N-CA-C 109.7 -1.36 . . . . 3.27 109.7 179.889 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 117.822 -1.085 . . . . 5.18 109.556 -179.618 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.463 1 O4'-C1'-N19 111.312 4.39 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.709 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.243 1 O4'-C1'-N19 111.073 4.091 . . . . 0.77 . . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.709 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.568 0 O4'-C1'-N19 110.931 3.914 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.432 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.053 1 O4'-C1'-N19 111.246 4.308 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.456 ' OP1' ' NH2' ' A' ' 44' ' ' ARG . . . . . . . . 0 C5'--C4' 1.542 3.931 1 O4'-C1'-N19 111.549 4.686 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.555 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.201 0 C3'-C2'-C1' 106.973 3.052 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.555 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.147 0 O4'-C1'-N19 110.545 3.432 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.916 0 O4'-C1'-N19 110.938 3.923 . . . . 0.66 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.439 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.545 4.238 0 C3'-C2'-C1' 106.861 2.972 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.557 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.392 1 O4'-C1'-N19 111.088 4.11 . . . . 0.86 . . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.557 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.302 3.128 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.12 0 O4'-C1'-N19 110.473 3.341 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.065 0 O4'-C1'-N19 110.425 3.282 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.41 ' OP2' ' OG ' ' A' ' 30' ' ' SER . . . . . . . . 0 C5'--C4' 1.528 2.17 0 O4'-C1'-N19 110.383 3.228 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.252 3.065 . . . . 0.53 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.416 " H4'" ' OP1' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.381 0 O4'-C1'-N19 110.623 3.528 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.51 ' O2 ' ' NH1' ' A' ' 14' ' ' ARG . . . . . . . . 1 C5'--C4' 1.543 4.025 1 O4'-C1'-N19 112.116 5.394 . . . . 1.95 . . . . . . . . . . 3 2 . 1 . 039 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.449 ' O2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.019 1 O4'-C1'-N19 112.339 5.673 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.433 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.063 0 O4'-C1'-N19 110.871 3.839 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.438 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.162 1 O4'-C1'-N19 111.083 4.104 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.438 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.474 0 O4'-C1'-N19 110.784 3.731 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.735 0 C3'-C2'-C1' 107.159 3.185 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo . . . . . 0 N--CA 1.493 1.473 0 CA-C-O 121.231 0.43 . . . . 7.56 112.06 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -81.9 130.58 35.11 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.083 -1.01 . . . . 7.46 109.683 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.85 44.09 0.22 Allowed 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.715 -0.846 . . . . 4.04 108.715 -179.508 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -76.49 -61.07 2.08 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 116.396 -0.365 . . . . 4.49 110.915 -178.927 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.51 ' NH1' ' O2 ' ' C' ' 117' ' ' ' DC' . 98.3 mtt180 -89.13 88.23 7.47 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.763 -1.211 . . . . 0.79 109.468 -179.824 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.78 120.37 34.89 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.626 -0.671 . . . . 0.93 109.833 179.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -96.86 7.49 46.5 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.544 -0.91 . . . . 2.1 108.544 178.852 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.515 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 4.6 m-70 -81.4 -42.0 1.1 Allowed Pre-proline 0 N--CA 1.499 1.977 0 O-C-N 121.425 -0.797 . . . . 3.25 111.245 -178.265 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 88.7 Cg_exo -52.31 151.34 17.84 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 121.969 1.779 . . . . 1.0 113.432 -179.306 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -81.49 -178.97 4.58 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 123.043 2.496 . . . . 1.37 111.781 179.203 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.01 15.59 80.93 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 110.042 -1.223 . . . . 1.3 110.042 178.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 21' ' ' THR . 5.1 t -92.53 88.97 6.54 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.978 -1.307 . . . . 1.05 109.933 179.911 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -78.73 144.66 35.03 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.935 -1.103 . . . . 2.59 108.394 178.27 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -97.52 108.68 46.59 Favored Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 121.183 -0.948 . . . . 2.32 110.075 -179.616 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -85.79 148.11 9.59 Favored 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 122.309 2.006 . . . . 0.86 112.396 179.534 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -68.54 -18.58 64.39 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.507 -0.746 . . . . 3.74 109.736 179.67 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -68.63 -6.8 27.91 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.219 -0.926 . . . . 0.87 111.065 -179.424 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 27' ' ' ARG . 15.0 mmt-85 -105.89 -22.69 12.86 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.994 -1.066 . . . . 1.06 110.083 -179.339 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 p -108.77 -35.32 6.43 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.467 -0.771 . . . . 0.66 109.056 179.145 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -64.22 -37.02 85.96 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.563 0.697 . . . . 2.82 109.891 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.41 ' OG ' ' OP2' ' C' ' 114' ' ' ' DA' . 18.1 m -57.31 -28.95 63.52 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.215 -0.928 . . . . 0.44 110.168 -179.296 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -93.51 144.46 25.34 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.653 -1.279 . . . . 1.3 109.66 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -117.81 152.52 50.09 Favored Pre-proline 0 N--CA 1.502 2.146 0 N-CA-C 108.021 -1.103 . . . . 2.07 108.021 179.296 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -42.21 153.55 0.13 Allowed 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.198 1.932 . . . . 0.48 112.906 -179.279 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.497 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -144.68 132.51 21.26 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.235 -0.916 . . . . 0.27 110.442 179.737 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.9 m -113.77 152.02 31.18 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.35 -0.843 . . . . 0.39 109.938 179.747 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.5 t -91.12 129.37 43.98 Favored Pre-proline 0 N--CA 1.489 1.495 0 N-CA-C 109.508 -0.553 . . . . 0.42 109.508 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -80.03 0.17 10.22 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 121.878 1.719 . . . . 0.8 112.722 -179.771 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.5 mt -102.81 -48.78 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.233 -0.917 . . . . 0.53 110.026 -179.576 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.2 p -122.55 14.23 10.21 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.341 -0.849 . . . . 0.47 110.388 -179.626 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 56.83 18.11 3.63 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.979 -1.076 . . . . 0.66 111.061 179.392 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.612 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.93 137.09 57.06 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.5 -1.296 . . . . 0.38 107.5 178.655 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -98.15 110.11 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.366 -0.834 . . . . 0.42 109.664 -178.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.5 mm -109.27 129.88 63.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 N-CA-C 106.97 -1.493 . . . . 0.26 106.97 179.049 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.456 ' NH2' ' OP1' ' B' ' 105' ' ' ' DA' . 2.9 mtm180 -74.12 -59.69 2.61 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 119.142 -1.023 . . . . 2.05 110.287 -178.485 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -77.59 131.99 38.08 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.027 -1.045 . . . . 1.22 110.187 -179.084 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.4 p -62.63 -40.0 95.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.595 -0.691 . . . . 0.35 110.369 179.878 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 11.0 ptp180 -54.75 -42.38 71.59 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.001 -1.062 . . . . 0.86 108.622 -179.011 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.493 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 98.3 m-20 -66.27 -28.76 68.95 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.727 -0.608 . . . . 0.33 109.955 -179.835 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.497 HD22 ' HB1' ' A' ' 34' ' ' ALA . 52.0 tp -60.22 -44.76 94.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.912 -1.118 . . . . 0.37 109.018 -179.032 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -60.32 -39.87 88.59 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.193 -0.942 . . . . 3.24 108.513 179.398 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -63.92 -36.63 84.58 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.741 -0.837 . . . . 0.45 108.741 179.356 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -63.86 -30.54 71.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.773 -0.579 . . . . 0.33 109.82 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 58' ' ' PHE . 88.7 mt -68.39 -40.22 81.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.201 -0.937 . . . . 0.44 109.53 -179.843 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.694 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 88.1 mt-10 -76.83 -17.34 59.06 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.277 -0.89 . . . . 2.08 111.442 -178.737 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.1 mt -96.44 -40.53 9.04 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.19 -1.569 . . . . 0.5 111.558 -179.389 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.578 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.0 mmm180 -108.02 9.66 28.44 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.15 -0.969 . . . . 2.21 112.818 -177.119 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 82.5 m-70 -153.73 -69.77 0.14 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.142 -1.599 . . . . 0.67 110.587 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.456 ' C ' ' H ' ' A' ' 60' ' ' LYS . 49.5 m-85 -78.6 14.25 1.36 Allowed 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.076 -1.015 . . . . 0.88 109.103 -179.26 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.37 9.86 0.72 Allowed 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.824 -0.806 . . . . 1.07 108.824 179.19 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 58' ' ' PHE . 27.2 mtmm -84.28 146.28 47.55 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.138 -0.976 . . . . 3.65 109.095 -179.884 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.36 150.12 87.49 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.397 2.065 . . . . 2.33 112.474 -178.609 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -162.52 122.06 1.07 Allowed Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.023 -1.631 . . . . 3.27 109.023 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.6 m . . . . . 0 N--CA 1.494 1.73 0 O-C-N 121.249 -1.148 . . . . 5.18 108.686 179.885 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.561 3.451 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.406 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.68 0 O4'-C1'-N19 110.248 3.06 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.406 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.981 0 C3'-C2'-C1' 106.92 3.014 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.632 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.661 0 O4'-C1'-N19 110.956 3.946 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.632 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.388 1 O4'-C1'-N19 112.162 5.453 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.574 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.673 0 C3'-C2'-C1' 106.932 3.023 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.574 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.294 0 O4'-C1'-N19 110.953 3.941 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.535 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.677 0 O4'-C1'-N19 110.953 3.941 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.535 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.422 0 O4'-C1'-N19 110.949 3.936 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.56 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.487 3.359 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.56 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.516 0 O4'-C1'-N19 110.608 3.51 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.674 0 O4'-C1'-N19 110.771 3.714 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.452 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.414 0 O4'-C1'-N19 110.645 3.556 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.465 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.345 1 O4'-C1'-N19 111.358 4.447 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.465 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.234 0 C3'-C2'-C1' 106.718 2.87 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.461 " O5'" H2'' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.55 0 O4'-C1'-N19 110.751 3.688 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.531 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.173 1 O4'-C1'-N19 111.395 4.494 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.531 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.1 1 O4'-C1'-N19 111.045 4.057 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.475 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.078 0 O4'-C1'-N19 110.828 3.785 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.507 ' N2 ' ' C2 ' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.518 0 O4'-C1'-N19 110.919 3.899 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.507 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.704 0 O4'-C1'-N19 110.374 3.217 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 C3'-C2'-C1' 107.038 3.099 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo . . . . . 0 N--CA 1.492 1.434 0 CA-C-O 121.431 0.513 . . . . 7.56 112.146 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -155.54 15.77 0.38 Allowed 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.433 -0.792 . . . . 7.46 109.404 -179.35 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.72 -0.26 0.09 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.14 -0.975 . . . . 4.04 109.589 -179.625 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -154.43 92.55 1.51 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.515 -0.92 . . . . 4.49 108.515 179.815 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -88.05 103.42 15.7 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.077 -1.014 . . . . 0.79 109.142 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.98 129.46 35.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.183 -0.948 . . . . 0.93 110.638 -179.408 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -91.78 10.29 29.07 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.435 -0.95 . . . . 2.1 108.435 178.716 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.595 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -78.85 -30.67 0.68 Allowed Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.25 -0.906 . . . . 3.25 113.017 -177.622 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 82.1 Cg_exo -48.44 141.66 18.93 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 121.781 1.654 . . . . 1.0 113.031 -178.316 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -76.39 168.51 23.71 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 122.741 2.294 . . . . 1.37 112.85 -179.668 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.95 35.09 51.17 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.728 -1.349 . . . . 1.3 109.728 179.607 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.27 91.09 7.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -1.162 . . . . 1.05 109.784 -179.542 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -76.87 149.9 36.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.963 -1.086 . . . . 2.59 109.363 179.839 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -107.15 87.2 2.93 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.672 -0.643 . . . . 2.32 111.017 -178.765 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.92 137.69 15.96 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 121.31 1.34 . . . . 0.86 110.404 178.304 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.457 HH11 ' HG2' ' A' ' 25' ' ' ARG . 16.9 mmt-85 -71.55 -7.82 50.05 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.133 -0.979 . . . . 3.74 109.899 -178.696 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.9 m -72.03 -5.45 35.18 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.121 -0.987 . . . . 0.87 109.937 -179.885 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.514 HH11 ' HG2' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -99.63 -24.75 14.63 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.129 -0.982 . . . . 1.06 110.216 -179.937 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.0 p -105.76 -38.21 6.46 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.023 -1.048 . . . . 0.66 110.471 -179.076 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -68.76 -26.82 65.42 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.05 -1.031 . . . . 2.82 109.828 -179.789 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -58.25 -36.11 72.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.36 -0.837 . . . . 0.44 109.665 -179.281 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.614 ' CG ' HH21 ' A' ' 47' ' ' ARG . 80.0 mm-40 -83.79 149.4 26.44 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.278 -0.889 . . . . 1.3 109.093 179.459 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -113.85 153.06 46.11 Favored Pre-proline 0 N--CA 1.502 2.129 0 N-CA-C 108.527 -0.916 . . . . 2.07 108.527 179.657 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -49.79 153.9 5.4 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.646 1.564 . . . . 0.48 111.174 179.908 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.5 136.92 23.86 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.015 -1.053 . . . . 0.27 111.061 -178.741 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.8 m -115.93 139.84 49.83 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.696 0.76 . . . . 0.39 109.894 178.862 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.5 t -76.31 132.86 72.29 Favored Pre-proline 0 C--N 1.302 -1.487 0 N-CA-C 108.983 -0.747 . . . . 0.42 108.983 179.511 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -79.58 -7.32 14.72 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.322 1.348 . . . . 0.8 112.318 179.772 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.9 mt -99.15 -53.7 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 O-C-N 121.26 -0.9 . . . . 0.53 111.431 -179.11 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 19.0 p -114.21 15.13 18.23 Favored 'General case' 0 N--CA 1.51 2.538 0 O-C-N 121.092 -1.005 . . . . 0.47 110.02 -179.295 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 53.29 19.68 1.64 Allowed 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.348 -0.845 . . . . 0.66 110.13 179.639 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.667 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.42 137.75 57.89 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.578 -1.638 . . . . 0.38 106.578 177.713 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.2 t -93.9 115.0 31.66 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 121.038 -1.039 . . . . 0.42 110.124 -178.903 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 34' ' ' ALA . 35.4 mm -109.2 127.97 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 N-CA-C 107.749 -1.204 . . . . 0.26 107.749 178.899 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.495 ' NH2' ' OP1' ' B' ' 105' ' ' ' DA' . 4.9 mtm180 -74.34 -59.74 2.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.826 -1.171 . . . . 2.05 109.189 -179.43 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -77.73 132.1 37.98 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.685 -0.806 . . . . 1.22 110.78 -178.63 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.8 p -66.63 -34.87 78.83 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.448 -0.783 . . . . 0.35 109.768 -179.866 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.614 HH21 ' CG ' ' A' ' 31' ' ' GLU . 10.5 ptp180 -54.52 -42.95 71.45 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.664 -1.272 . . . . 0.86 108.324 179.601 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.461 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 95.0 m-20 -65.9 -30.74 71.38 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.497 -0.752 . . . . 0.33 110.043 179.751 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.1 tp -54.11 -49.44 69.14 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.924 -1.11 . . . . 0.37 109.053 -178.976 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.472 HH11 ' HG2' ' A' ' 50' ' ' ARG . 16.6 ttt-85 -59.06 -40.5 85.35 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.125 -1.065 . . . . 3.24 108.125 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -66.17 -37.37 85.48 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.517 -0.739 . . . . 0.45 109.841 178.953 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -60.11 -39.67 87.03 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.533 -0.73 . . . . 0.33 109.107 -179.238 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.79 -41.49 97.8 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.012 -1.055 . . . . 0.44 109.617 178.733 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.727 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 96.0 mt-10 -70.93 -28.37 64.44 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.225 -0.922 . . . . 2.08 111.736 -179.537 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.6 mt -95.63 -38.95 10.16 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.469 -1.394 . . . . 0.5 112.292 -178.53 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 18.7 mmm180 -102.93 9.78 38.59 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.028 -1.045 . . . . 2.21 112.536 -176.764 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 93.7 m-70 -154.41 -66.62 0.14 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.078 -1.639 . . . . 0.67 111.064 179.896 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.48 ' C ' ' H ' ' A' ' 60' ' ' LYS . 67.7 m-85 -82.78 11.05 6.42 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.897 -1.127 . . . . 0.88 109.965 -179.182 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -68.56 11.76 0.16 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.345 -0.847 . . . . 1.07 109.598 179.672 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 58' ' ' PHE . 44.3 pttt -85.97 149.23 50.02 Favored Pre-proline 0 N--CA 1.496 1.848 0 O-C-N 120.965 -1.085 . . . . 3.65 109.245 -179.817 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -46.88 154.05 1.2 Allowed 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.07 1.847 . . . . 2.33 112.343 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.6 -167.12 38.24 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.276 -1.53 . . . . 3.27 109.276 179.667 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.497 1.911 0 CA-C-O 117.95 -1.024 . . . . 5.18 108.994 179.844 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.597 3.497 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.418 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.533 0 O4'-C1'-N19 110.491 3.364 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.418 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.006 0 O4'-C1'-N19 110.222 3.027 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.036 1 O4'-C1'-N19 111.492 4.615 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.366 1 O4'-C1'-N19 111.984 5.23 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.54 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.884 0 O4'-C1'-N19 110.594 3.493 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.487 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.788 0 O4'-C1'-N19 110.56 3.45 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.451 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.981 1 O4'-C1'-N19 111.181 4.226 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 0 O4'-C1'-N19 110.462 3.328 . . . . 0.87 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 0 O4'-C1'-N19 110.765 3.706 . . . . 0.86 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.505 1 O4'-C1'-N19 111.108 4.135 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.583 0 O4'-C1'-N19 110.246 3.057 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 C3'-C2'-C1' 106.964 3.046 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.549 ' C2 ' ' N3 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.063 1 O4'-C1'-N19 111.526 4.657 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.549 ' N3 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.046 0 O4'-C1'-N19 110.295 3.119 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.542 " H4'" ' OP1' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.801 3.751 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.542 ' OP1' " H4'" ' C' ' 116' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.544 4.065 1 O4'-C1'-N19 112.327 5.659 . . . . 1.95 . . . . . . . . . . 3 2 . 1 . 041 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.98 1 O4'-C1'-N19 111.724 4.904 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.608 1 O4'-C1'-N19 111.305 4.381 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.5 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.884 5.105 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.5 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.633 3.541 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.392 0 O4'-C1'-N19 110.382 3.228 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 N--CA 1.495 1.613 0 CA-C-O 121.314 0.464 . . . . 7.56 112.166 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -80.4 -6.61 58.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.364 -0.835 . . . . 7.46 109.97 -179.656 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.04 95.66 1.29 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.821 -1.174 . . . . 4.04 110.029 179.861 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -82.66 -79.35 0.19 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.691 -0.803 . . . . 4.49 110.036 179.816 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -85.02 98.5 10.44 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.152 -0.968 . . . . 0.79 109.479 -179.319 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.95 117.45 30.66 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.55 -0.719 . . . . 0.93 110.164 179.921 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -93.65 -2.05 54.49 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.316 -0.865 . . . . 2.1 109.651 179.039 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.616 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 32.6 t-80 -77.54 -32.29 0.92 Allowed Pre-proline 0 N--CA 1.5 2.058 0 O-C-N 121.485 -0.759 . . . . 3.25 112.583 -178.031 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.5 Cg_exo -53.67 149.25 32.78 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.128 1.885 . . . . 1.0 111.962 -179.211 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -76.68 172.89 15.38 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.693 2.262 . . . . 1.37 112.998 179.11 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.54 28.63 61.11 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.857 -1.297 . . . . 1.3 109.857 179.692 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.722 HG23 ' O ' ' A' ' 21' ' ' THR . 8.6 t -91.64 86.69 6.07 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.022 -1.281 . . . . 1.05 108.052 179.331 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -76.3 148.24 37.65 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.453 -0.779 . . . . 2.59 110.167 -179.119 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -106.78 76.51 0.44 Allowed Pre-proline 0 N--CA 1.499 1.975 0 O-C-N 121.294 -0.878 . . . . 2.32 109.896 179.703 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.03 150.8 85.13 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 121.816 1.678 . . . . 0.86 112.512 -179.575 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.532 HH11 ' HG2' ' A' ' 25' ' ' ARG . 13.5 mtt-85 -70.35 -13.6 62.22 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.983 -1.073 . . . . 3.74 110.841 -179.061 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 m -70.59 -5.01 26.06 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.606 -1.309 . . . . 0.87 109.895 179.962 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.451 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 30.4 mmt180 -108.7 -26.24 10.44 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.146 -0.971 . . . . 1.06 110.494 -178.984 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 p -108.05 -28.88 9.29 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.335 -0.853 . . . . 0.66 110.123 -179.354 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -60.45 -37.73 81.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.963 -1.086 . . . . 2.82 109.607 -179.885 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.8 m -58.86 -30.22 67.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.398 -0.814 . . . . 0.44 108.927 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -84.84 132.98 34.34 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.567 0.699 . . . . 1.3 110.231 -178.956 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -115.18 150.61 44.64 Favored Pre-proline 0 N--CA 1.502 2.153 0 N-CA-C 108.861 -0.792 . . . . 2.07 108.861 179.896 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -50.58 152.84 8.57 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.86 1.707 . . . . 0.48 111.279 -179.587 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -147.29 142.57 27.31 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.002 -1.061 . . . . 0.27 112.32 -178.505 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.48 HG22 ' N ' ' A' ' 36' ' ' CYS . 83.5 m -117.19 160.38 21.15 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 121.419 0.628 . . . . 0.39 110.196 178.804 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.48 ' N ' HG22 ' A' ' 35' ' ' THR . 5.6 t -104.7 104.76 47.51 Favored Pre-proline 0 N--CA 1.501 2.099 0 O-C-N 121.398 -0.814 . . . . 0.42 110.071 179.943 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.42 -4.28 0.75 Allowed 'Trans proline' 0 N--CA 1.502 1.981 0 C-N-CA 121.92 1.747 . . . . 0.8 113.349 179.39 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.1 mt -96.8 -53.25 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 120.717 -1.239 . . . . 0.53 109.688 -179.229 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.675 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 19.1 p -120.31 16.38 12.25 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.414 -0.804 . . . . 0.47 109.205 178.999 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' CYS . 94.2 m-85 52.0 19.19 0.95 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.545 -0.722 . . . . 0.66 110.643 179.503 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.675 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.6 138.74 57.63 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.97 -1.493 . . . . 0.38 106.97 178.268 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.61 114.46 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.699 -1.251 . . . . 0.42 110.077 -178.722 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ALA . 33.8 mm -109.06 129.95 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 107.254 -1.387 . . . . 0.26 107.254 178.14 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -71.48 -63.44 1.12 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.728 -1.232 . . . . 2.05 110.281 -178.388 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.614 HE22 ' NH2' ' A' ' 47' ' ' ARG . 85.8 mt-30 -79.63 132.09 36.16 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.129 -0.982 . . . . 1.22 110.252 -179.414 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.5 p -62.54 -35.45 79.47 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.656 -0.652 . . . . 0.35 110.432 179.34 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.614 ' NH2' HE22 ' A' ' 45' ' ' GLN . 27.6 ptt180 -58.96 -36.99 75.74 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.743 -1.223 . . . . 0.86 108.312 179.586 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.88 -29.23 67.48 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.277 -0.89 . . . . 0.33 109.35 179.048 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.1 tp -59.65 -43.55 93.88 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.218 -0.926 . . . . 0.37 109.466 -179.246 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' CD ' ' H ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -59.02 -40.19 84.22 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.337 -1.357 . . . . 3.24 107.337 179.07 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -64.36 -37.04 86.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.612 -0.68 . . . . 0.45 109.491 179.147 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -63.85 -37.65 88.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.375 -0.828 . . . . 0.33 109.565 179.601 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.66 -43.85 93.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.151 -0.968 . . . . 0.44 109.922 -179.631 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.741 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 99.2 mt-10 -73.69 -15.12 61.24 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.144 -0.973 . . . . 2.08 111.68 -179.425 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -98.5 -47.13 5.5 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 120.92 -1.113 . . . . 0.5 112.091 -177.873 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.428 ' HG3' HH11 ' A' ' 56' ' ' ARG . 20.3 mmm-85 -104.61 17.93 23.19 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.929 -1.107 . . . . 2.21 112.009 -178.229 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.7 m-70 -151.25 -78.56 0.12 Allowed 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.666 -1.271 . . . . 0.67 110.604 178.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -80.4 15.28 1.66 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.801 -1.187 . . . . 0.88 110.496 -179.156 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -70.34 -20.71 62.97 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.047 -1.033 . . . . 1.07 109.202 179.665 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -87.62 149.24 45.88 Favored Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.219 -0.926 . . . . 3.65 109.773 -179.906 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.62 154.56 44.52 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 122.811 2.34 . . . . 2.33 112.156 179.397 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.6 125.59 1.39 Allowed Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.334 -1.507 . . . . 3.27 109.334 -179.7 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 75.0 t . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 117.952 -1.023 . . . . 5.18 109.175 -179.691 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.407 H2'' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.553 0 O4'-C1'-N19 110.334 3.168 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.551 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.275 0 O4'-C1'-N19 110.406 3.258 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.551 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.251 1 O4'-C1'-N19 111.01 4.012 . . . . 0.65 . . . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.427 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.47 1 O4'-C1'-N19 111.158 4.197 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.482 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.534 2.88 1 O4'-C1'-N19 111.25 4.312 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 0 C3'-C2'-C1' 106.939 3.028 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.79 1 O4'-C1'-N19 111.322 4.402 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.535 ' N7 ' ' NH2' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.492 0 O4'-C1'-N19 110.917 3.897 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.453 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.497 0 C3'-C2'-C1' 106.678 2.841 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.424 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.312 0 O4'-C1'-N19 110.427 3.284 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.424 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.687 3.609 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 111.295 4.369 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.059 0 O4'-C1'-N19 110.345 3.181 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.647 3.558 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.217 0 C3'-C2'-C1' 106.815 2.939 . . . . 0.53 . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.645 ' H71' ' HD2' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.676 0 O4'-C1'-N19 110.641 3.551 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.631 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.201 1 O4'-C1'-N19 111.71 4.888 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.631 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.274 1 O4'-C1'-N19 111.249 4.312 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.439 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.101 0 O4'-C1'-N19 110.987 3.984 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.32 1 O4'-C1'-N19 111.14 4.174 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.432 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.407 0 O4'-C1'-N19 110.564 3.455 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . 0.458 ' H6 ' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.356 3.195 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo . . . . . 0 N--CA 1.492 1.434 0 CA-C-O 121.548 0.562 . . . . 7.56 112.654 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -86.82 156.82 19.74 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.394 -0.816 . . . . 7.46 109.631 -179.708 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 121.68 15.66 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.274 -0.891 . . . . 4.04 110.042 -179.379 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -153.13 110.05 3.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.373 -0.829 . . . . 4.49 108.807 179.166 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -84.77 99.74 11.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.163 -0.961 . . . . 0.79 109.264 -179.629 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.22 132.63 48.03 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.599 -0.688 . . . . 0.93 109.231 179.364 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -90.4 11.56 21.15 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.201 -0.937 . . . . 2.1 108.924 178.382 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.618 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.0 m80 -79.32 -28.83 0.56 Allowed Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.438 -0.789 . . . . 3.25 112.621 -177.973 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.5 Cg_exo -54.38 142.61 68.94 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.603 1.535 . . . . 1.0 111.479 -179.125 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.11 171.54 15.03 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.376 2.051 . . . . 1.37 112.581 -179.306 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.88 31.11 62.55 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.822 -1.311 . . . . 1.3 109.822 179.861 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.82 90.93 8.62 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.008 -1.29 . . . . 1.05 108.958 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -80.51 139.08 36.56 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.355 -0.84 . . . . 2.59 109.262 -179.904 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -105.94 97.69 16.13 Favored Pre-proline 0 N--CA 1.5 2.032 0 O-C-N 121.634 -0.666 . . . . 2.32 109.484 179.849 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -84.37 154.93 12.4 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 C-N-CA 121.466 1.444 . . . . 0.86 111.415 178.735 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.61 -18.93 65.63 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.325 -0.859 . . . . 3.74 110.7 -179.21 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.7 m -70.12 -3.71 17.95 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.641 -1.287 . . . . 0.87 110.844 -179.271 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.549 HH11 ' HG2' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -103.05 -29.95 11.05 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.965 -1.084 . . . . 1.06 111.178 -179.612 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 p -110.16 -43.13 4.0 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.154 -0.966 . . . . 0.66 109.495 179.947 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -59.02 -37.87 77.91 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.627 -0.829 . . . . 2.82 109.404 -178.764 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.0 m -58.88 -30.51 67.8 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.286 -0.884 . . . . 0.44 109.521 179.926 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -76.75 134.62 39.11 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.175 -0.953 . . . . 1.3 108.913 179.823 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -117.08 152.13 48.47 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.836 -0.801 . . . . 2.07 108.836 -179.488 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -49.59 155.9 3.34 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.746 1.631 . . . . 0.48 112.462 -179.644 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -145.68 133.89 21.66 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.435 -0.791 . . . . 0.27 109.843 -179.658 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.4 m -113.96 145.05 42.08 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.356 -0.84 . . . . 0.39 110.029 179.349 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -82.11 129.26 64.8 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.295 -0.878 . . . . 0.42 109.028 179.9 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -76.25 -6.01 16.78 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.723 1.616 . . . . 0.8 112.122 -179.893 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.0 mt -100.51 -57.5 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.279 -0.888 . . . . 0.53 110.964 -179.359 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 15.2 p -114.07 25.73 10.89 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.445 -0.784 . . . . 0.47 110.201 -179.149 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 43.37 18.03 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.326 -0.859 . . . . 0.66 111.485 178.597 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.589 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.96 135.71 57.68 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.358 -1.349 . . . . 0.38 107.358 178.413 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.38 118.56 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.946 -1.097 . . . . 0.42 110.468 -178.7 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 36.2 mm -111.16 130.0 65.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 107.638 -1.245 . . . . 0.26 107.638 178.729 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.444 HH11 ' HG2' ' A' ' 44' ' ' ARG . 9.4 mtt-85 -74.12 -60.94 2.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.552 -1.342 . . . . 2.05 110.735 -178.634 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.57 ' OE1' ' NH1' ' A' ' 47' ' ' ARG . 75.8 mt-30 -81.42 132.44 35.32 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.797 -1.19 . . . . 1.22 109.647 -179.616 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.1 p -63.58 -37.68 88.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.153 -0.967 . . . . 0.35 111.002 -179.154 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.715 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -57.27 -36.2 70.7 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 120.2 -1.563 . . . . 0.86 109.023 -179.818 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.589 ' ND2' HH12 ' A' ' 47' ' ' ARG . 92.4 m-20 -67.53 -29.32 68.69 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.111 -0.993 . . . . 0.33 108.464 178.389 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.0 tp -57.74 -45.82 85.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.92 -1.113 . . . . 0.37 109.787 179.985 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.428 HH12 ' HA ' ' A' ' 47' ' ' ARG . 20.7 mtm-85 -60.01 -38.44 82.64 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 117.961 -1.496 . . . . 3.24 107.31 179.834 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' NH2' ' C6 ' ' B' ' 103' ' ' ' DC' . 42.7 ttp180 -62.31 -38.65 90.26 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.731 -0.606 . . . . 0.45 109.395 178.968 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -61.82 -40.15 94.28 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.508 -0.745 . . . . 0.33 110.47 -179.535 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.53 -46.79 87.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.955 -1.091 . . . . 0.44 109.998 -179.218 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.705 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 77.9 mm-40 -71.64 -21.86 61.76 Favored 'General case' 0 C--N 1.293 -1.883 0 O-C-N 121.287 -0.883 . . . . 2.08 111.806 -178.791 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.75 -36.99 10.97 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.606 -1.309 . . . . 0.5 111.814 -178.69 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.534 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 21.4 mmm-85 -109.98 16.99 21.55 Favored 'General case' 0 N--CA 1.508 2.425 0 O-C-N 120.759 -1.213 . . . . 2.21 112.636 -177.92 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 98.1 m-70 -154.83 -72.01 0.12 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.259 -1.525 . . . . 0.67 110.732 179.472 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.459 ' C ' ' H ' ' A' ' 60' ' ' LYS . 86.9 m-85 -81.31 11.71 4.16 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.997 -1.065 . . . . 0.88 109.68 -179.62 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -68.04 5.95 0.82 Allowed 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 108.996 -0.742 . . . . 1.07 108.996 179.669 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 58' ' ' PHE . 9.4 mtmp? -87.07 150.04 48.89 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.41 -0.806 . . . . 3.65 109.013 179.882 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.18 147.27 94.05 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 121.944 1.762 . . . . 2.33 111.903 -179.899 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.61 -131.54 1.37 Allowed Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.646 -1.382 . . . . 3.27 109.646 -179.575 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.498 1.946 0 O-C-N 121.281 -1.129 . . . . 5.18 109.606 -179.896 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 C3'-C2'-C1' 107.027 3.091 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.628 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.3 0 O4'-C1'-N19 110.694 3.617 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.628 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.339 0 O4'-C1'-N19 110.353 3.191 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.571 0 O4'-C1'-N19 110.562 3.453 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.506 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.536 3.139 0 O4'-C1'-N19 110.923 3.903 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.501 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.865 0 C3'-C2'-C1' 106.875 2.982 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.501 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.453 0 O4'-C1'-N19 110.958 3.948 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.406 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 111.088 4.11 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.535 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.259 3.073 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.535 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.326 0 O4'-C1'-N19 110.59 3.487 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.884 0 O4'-C1'-N19 110.931 3.914 . . . . 0.96 . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.475 1 O4'-C1'-N19 111.142 4.178 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.517 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.63 0 C3'-C2'-C1' 107.088 3.134 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.522 ' C2 ' ' N3 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.12 1 O4'-C1'-N19 111.281 4.352 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.522 ' N3 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.498 0 C3'-C2'-C1' 106.92 3.014 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.475 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.174 0 O4'-C1'-N19 110.681 3.601 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.624 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.52 1 O4'-C1'-N19 111.325 4.406 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.624 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.586 1 O4'-C1'-N19 111.772 4.965 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.894 0 O4'-C1'-N19 110.657 3.571 . . . . 0.64 . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.491 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.452 1 O4'-C1'-N19 111.383 4.479 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.491 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.952 0 O4'-C1'-N19 110.974 3.967 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.137 0 O4'-C1'-N19 110.601 3.501 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo . . . . . 0 N--CA 1.493 1.464 0 CA-C-O 121.266 0.444 . . . . 7.56 112.357 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -149.72 157.11 42.91 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.408 -0.808 . . . . 7.46 109.158 -179.53 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.59 -78.32 0.06 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.43 -0.794 . . . . 4.04 109.149 -179.939 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -156.42 -132.56 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.63 -0.878 . . . . 4.49 108.63 -179.583 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.416 HH21 " H1'" ' B' ' 107' ' ' ' DA' . 42.8 mtp180 -88.44 90.54 8.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.064 -1.022 . . . . 0.79 108.34 179.341 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.17 111.23 23.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.34 -0.85 . . . . 0.93 110.392 -179.346 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -86.81 5.91 34.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.417 -0.802 . . . . 2.1 109.221 179.17 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.458 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 10.5 m-70 -78.65 -53.78 1.19 Allowed Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 121.099 -1.001 . . . . 3.25 112.234 -179.027 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 17' ' ' HIS . 2.2 Cg_endo -42.82 163.69 0.04 OUTLIER 'Trans proline' 0 N--CA 1.5 1.888 0 C-N-CA 121.842 1.695 . . . . 1.0 112.346 -179.178 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -66.96 174.44 6.81 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.688 2.259 . . . . 1.37 112.126 -178.903 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.41 13.34 80.61 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.801 -1.319 . . . . 1.3 109.801 -179.888 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 21' ' ' THR . 9.4 t -90.36 87.25 6.73 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.11 -1.23 . . . . 1.05 109.678 -179.765 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -83.03 144.45 29.92 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.641 -0.662 . . . . 2.59 110.08 179.962 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -107.28 69.67 0.27 Allowed Pre-proline 0 N--CA 1.508 2.451 0 O-C-N 121.242 -0.911 . . . . 2.32 111.033 -179.776 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -56.61 148.96 61.19 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.263 1.309 . . . . 0.86 111.245 178.936 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.05 -18.13 62.58 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.121 -0.987 . . . . 3.74 110.222 -179.56 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.5 m -70.1 -4.31 20.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.287 -0.883 . . . . 0.87 110.338 -179.265 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 30.1 mmt180 -92.93 -46.05 7.67 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.095 -1.003 . . . . 1.06 110.313 -179.029 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.4 p -100.81 -28.93 12.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.455 -0.778 . . . . 0.66 110.264 -178.52 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -60.45 -38.74 85.13 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.764 -1.21 . . . . 2.82 108.396 179.106 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.2 m -59.38 -31.8 69.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.283 -0.886 . . . . 0.44 109.178 179.553 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -81.56 143.23 32.14 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.132 -0.98 . . . . 1.3 110.233 -179.553 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -129.99 154.25 81.17 Favored Pre-proline 0 N--CA 1.496 1.834 0 N-CA-C 107.912 -1.144 . . . . 2.07 107.912 179.28 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.11 153.86 11.73 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.735 1.623 . . . . 0.48 111.976 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.44 134.06 21.01 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.16 -0.963 . . . . 0.27 111.119 -179.295 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.8 m -112.32 145.07 40.68 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.315 -0.866 . . . . 0.39 109.606 179.095 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.2 t -82.87 127.4 69.88 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.276 -0.89 . . . . 0.42 109.341 -179.856 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.38 -3.31 13.53 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 121.859 1.706 . . . . 0.8 112.61 -179.534 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.9 mt -100.93 -53.64 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.228 -0.92 . . . . 0.53 110.085 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.5 p -118.96 18.03 13.26 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 121.341 -0.849 . . . . 0.47 110.751 -179.407 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 54.49 16.26 1.25 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.261 -0.899 . . . . 0.66 111.902 178.545 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.554 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.16 134.73 56.74 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.575 -1.328 . . . . 0.38 107.587 177.854 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -94.02 117.62 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.914 -1.116 . . . . 0.42 110.07 -179.1 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.6 mm -112.44 131.17 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 107.069 -1.456 . . . . 0.26 107.069 178.508 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.503 HH11 ' HG2' ' A' ' 44' ' ' ARG . 18.0 mtt-85 -74.53 -61.97 1.69 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.662 -1.274 . . . . 2.05 110.537 -178.555 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.676 HE22 ' NH2' ' A' ' 47' ' ' ARG . 88.3 mt-30 -77.33 141.31 39.95 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.13 -0.981 . . . . 1.22 110.294 -179.098 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.4 p -69.33 -36.79 77.3 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.036 -1.04 . . . . 0.35 110.019 179.828 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.676 ' NH2' HE22 ' A' ' 45' ' ' GLN . 26.0 ptt180 -60.04 -34.02 72.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.824 -1.173 . . . . 0.86 108.566 179.659 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.496 ' ND2' ' OE1' ' A' ' 45' ' ' GLN . 99.0 m-20 -69.79 -29.62 66.97 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.935 -0.765 . . . . 0.33 108.935 178.765 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.47 -41.01 93.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.865 . . . . 0.37 109.097 179.281 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -60.01 -39.43 85.78 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.52 -1.289 . . . . 3.24 107.52 179.258 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.488 ' NH2' ' C6 ' ' B' ' 103' ' ' ' DC' . 43.4 ttp180 -67.16 -38.36 85.33 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 109.259 -0.645 . . . . 0.45 109.259 179.194 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -61.65 -41.26 97.27 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.354 -0.841 . . . . 0.33 109.513 179.853 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.07 -39.95 94.14 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.264 -0.898 . . . . 0.44 110.298 -179.916 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.722 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 79.2 mm-40 -72.06 -20.29 61.69 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.377 -0.827 . . . . 2.08 111.914 -178.422 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.1 mt -103.72 -32.84 9.17 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.917 -1.114 . . . . 0.5 112.347 -178.13 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.562 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.8 mmm-85 -108.0 6.69 27.34 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.547 -1.346 . . . . 2.21 112.144 -178.073 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.562 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 86.0 m-70 -152.32 -68.59 0.16 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.398 -1.439 . . . . 0.67 111.165 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -77.73 8.14 4.87 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.773 -1.204 . . . . 0.88 109.318 -179.536 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.17 2.87 4.05 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.64 -0.662 . . . . 1.07 110.148 -179.67 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -85.48 148.74 50.16 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 120.971 -1.081 . . . . 3.65 108.997 179.81 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.41 137.57 40.06 Favored 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 121.852 1.701 . . . . 2.33 111.625 -179.92 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.06 91.75 0.11 Allowed Glycine 0 N--CA 1.488 2.1 0 N-CA-C 109.402 -1.479 . . . . 3.27 109.402 -179.852 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.497 1.906 0 O-C-N 121.456 -1.026 . . . . 5.18 109.109 179.693 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.379 0 O4'-C1'-N19 110.831 3.789 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.141 0 O4'-C1'-N19 110.57 3.463 . . . . 0.77 . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.493 ' C5 ' ' NH2' ' A' ' 51' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 111.124 4.155 . . . . 0.65 . . . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.481 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.014 1 O4'-C1'-N19 111.58 4.725 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.481 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.96 1 O4'-C1'-N19 112.144 5.43 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.567 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.045 0 C3'-C2'-C1' 107.072 3.123 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.567 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.599 1 O4'-C1'-N19 111.02 4.025 . . . . 0.7 . . . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.484 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.949 0 O4'-C1'-N19 110.886 3.857 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.573 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.323 0 O4'-C1'-N19 110.62 3.525 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.573 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.06 0 O4'-C1'-N19 110.6 3.501 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.538 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.26 0 O4'-C1'-N19 110.474 3.343 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.229 1 O4'-C1'-N19 111.562 4.703 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.411 0 O4'-C1'-N19 110.35 3.187 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.47 ' C2 ' ' C2 ' ' C' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.747 0 O4'-C1'-N19 110.78 3.725 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.47 ' C2 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.409 0 O4'-C1'-N19 110.604 3.505 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.576 ' H71' ' OP2' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.029 0 O4'-C1'-N19 110.402 3.253 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.42 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.92 1 O4'-C1'-N19 111.475 4.594 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.523 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 111.742 4.927 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.523 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.043 1 O4'-C1'-N19 111.103 4.128 . . . . 0.64 . . . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.71 1 O4'-C1'-N19 111.118 4.148 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.669 0 C3'-C2'-C1' 107.009 3.078 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 0 C3'-C2'-C1' 106.831 2.95 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo . . . . . 0 N--CA 1.495 1.601 0 CA-C-O 121.341 0.475 . . . . 7.56 112.366 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' C ' ' H ' ' A' ' 13' ' ' LYS . 30.2 mmtp -73.71 173.96 9.07 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.901 -1.124 . . . . 7.46 109.032 179.844 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.87 6.39 0.51 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.102 -0.999 . . . . 4.04 109.367 -179.996 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 11' ' ' LYS . 4.5 mptp? -79.22 146.32 33.12 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.171 -0.955 . . . . 4.49 108.919 179.572 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -90.3 100.75 13.52 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.844 -1.16 . . . . 0.79 110.358 -179.705 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.41 109.02 20.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.274 -0.891 . . . . 0.93 109.383 179.14 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -94.76 10.73 34.02 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.521 -0.737 . . . . 2.1 109.423 179.637 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.621 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 68.8 m-70 -82.32 -31.31 0.54 Allowed Pre-proline 0 N--CA 1.498 1.969 0 O-C-N 121.017 -1.052 . . . . 3.25 112.25 -179.016 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 73.6 Cg_exo -49.82 154.31 5.05 Favored 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 122.061 1.84 . . . . 1.0 112.139 -178.755 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -62.25 168.95 8.56 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.628 2.219 . . . . 1.37 112.303 -178.642 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.57 21.21 75.44 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 110.53 -1.028 . . . . 1.3 110.53 179.464 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 21' ' ' THR . 5.8 t -91.68 89.82 7.29 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.904 -1.351 . . . . 1.05 109.103 179.394 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -74.76 141.77 44.38 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.124 -0.985 . . . . 2.59 108.672 179.409 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -106.53 88.43 3.36 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.802 -0.562 . . . . 2.32 109.709 -179.434 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.31 137.42 18.89 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 121.659 1.573 . . . . 0.86 111.213 179.512 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HD2' ' H ' ' A' ' 25' ' ' ARG . 1.3 mpt_? -73.34 -8.18 54.77 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.526 -0.734 . . . . 3.74 109.587 -179.628 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.4 m -71.09 -5.33 30.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.912 -1.118 . . . . 0.87 109.755 -179.694 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.484 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 9.9 mmt-85 -97.08 -17.16 20.15 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.55 -0.718 . . . . 1.06 109.637 179.852 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.4 p -109.38 -42.97 4.22 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.612 -0.68 . . . . 0.66 110.068 -179.858 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -60.54 -36.13 77.69 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.235 -0.916 . . . . 2.82 110.468 -179.198 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.1 m -62.21 -19.32 63.04 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.258 -1.015 . . . . 0.44 108.258 -179.89 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -92.04 143.85 26.05 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.58 -0.7 . . . . 1.3 110.208 -179.367 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.468 ' CD ' ' N ' ' A' ' 32' ' ' GLN . 4.4 mp0 -116.45 152.82 48.57 Favored Pre-proline 0 N--CA 1.499 2.011 0 N-CA-C 108.974 -0.751 . . . . 2.07 108.974 -179.689 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -57.07 151.88 47.79 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 121.765 1.643 . . . . 0.48 110.783 179.395 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.68 133.31 23.65 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 119.896 -0.722 . . . . 0.27 110.908 -178.849 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.6 m -114.79 140.06 49.22 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.466 0.65 . . . . 0.39 109.791 179.306 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.444 ' HB3' ' N ' ' A' ' 41' ' ' ALA . 5.3 t -74.76 127.05 87.78 Favored Pre-proline 0 C--N 1.302 -1.461 0 N-CA-C 108.302 -0.999 . . . . 0.42 108.302 179.106 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.99 -2.68 12.9 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.055 1.837 . . . . 0.8 111.908 179.926 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.8 mt -103.13 -59.71 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.297 -0.877 . . . . 0.53 110.061 -179.381 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 13.9 p -112.7 27.45 9.62 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.479 -0.763 . . . . 0.47 110.356 -178.57 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 44.84 18.31 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.441 -0.787 . . . . 0.66 111.779 179.202 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.57 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.7 134.61 54.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.566 -1.334 . . . . 0.38 107.533 177.783 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -95.79 111.84 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.058 -1.026 . . . . 0.42 110.462 -178.443 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.5 mm -109.79 126.07 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 107.355 -1.35 . . . . 0.26 107.355 178.243 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -70.73 -59.53 2.76 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 118.852 -1.139 . . . . 2.05 110.731 -178.888 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.613 ' NE2' HH21 ' A' ' 47' ' ' ARG . 90.2 mt-30 -79.92 137.9 36.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.301 -0.874 . . . . 1.22 109.262 -179.284 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.6 p -68.28 -38.75 82.01 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.26 -0.9 . . . . 0.35 110.668 -178.923 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.613 HH21 ' NE2' ' A' ' 45' ' ' GLN . 22.4 ptt180 -53.31 -37.64 62.44 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.273 -0.892 . . . . 0.86 108.607 179.873 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -72.39 -25.37 61.48 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.589 -0.695 . . . . 0.33 109.386 178.972 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.13 -48.2 82.71 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.997 -1.064 . . . . 0.37 109.159 -179.663 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HG2' HH11 ' A' ' 50' ' ' ARG . 18.7 ttt-85 -59.74 -40.01 86.65 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.351 -1.352 . . . . 3.24 107.351 179.815 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.493 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 42.8 ttp180 -59.94 -39.57 86.0 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.07 -1.052 . . . . 0.45 109.195 178.6 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -61.45 -36.81 81.45 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.283 -0.885 . . . . 0.33 109.97 -179.375 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.69 -39.94 86.2 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.802 -1.186 . . . . 0.44 109.594 -179.869 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.735 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 48.0 mt-10 -74.88 -19.59 60.08 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.325 -0.859 . . . . 2.08 112.81 -178.107 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.9 mt -95.86 -45.08 7.11 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.474 -1.391 . . . . 0.5 112.533 -177.974 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.519 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 22.8 mmm-85 -107.16 19.56 20.21 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 120.625 -1.297 . . . . 2.21 111.757 -178.015 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 95.6 m-70 -155.35 -75.19 0.11 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 120.341 -1.475 . . . . 0.67 110.736 179.687 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -78.61 10.76 2.95 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.276 -0.89 . . . . 0.88 110.203 -178.94 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -68.8 -16.29 63.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.329 -0.857 . . . . 1.07 108.7 178.885 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.402 ' H ' ' HD2' ' A' ' 60' ' ' LYS . 2.1 mptp? -90.94 136.25 27.78 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.27 -0.894 . . . . 3.65 109.484 -179.664 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -48.08 131.59 21.84 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 121.328 1.352 . . . . 2.33 112.528 179.77 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.8 124.26 8.5 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.909 -1.277 . . . . 3.27 109.909 179.971 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.502 2.142 0 O-C-N 121.499 -1.001 . . . . 5.18 109.379 179.802 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.236 0 O4'-C1'-N19 110.827 3.784 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.515 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.513 0 O4'-C1'-N19 110.728 3.66 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.601 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.023 0 O4'-C1'-N19 110.457 3.322 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.601 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.857 0 O4'-C1'-N19 110.968 3.96 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.476 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.973 1 O4'-C1'-N19 111.562 4.702 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.682 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C1'-N19 110.704 3.63 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.682 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.224 0 C3'-C2'-C1' 107.053 3.109 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.453 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.568 1 O4'-C1'-N19 111.113 4.141 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.494 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.365 0 C3'-C2'-C1' 106.974 3.053 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.573 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.572 0 O4'-C1'-N19 110.608 3.509 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.573 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.558 3.447 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.741 0 O4'-C1'-N19 110.909 3.887 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.415 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.835 0 O4'-C1'-N19 110.897 3.871 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.415 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.453 1 O4'-C1'-N19 111.172 4.216 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.279 0 O4'-C1'-N19 110.496 3.37 . . . . 0.53 . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.413 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.992 0 O4'-C1'-N19 110.684 3.605 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.49 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.381 1 O4'-C1'-N19 111.135 4.169 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.49 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.377 1 O4'-C1'-N19 111.588 4.735 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.461 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.528 3.409 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.529 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.763 1 O4'-C1'-N19 111.115 4.144 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.529 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.501 1 O4'-C1'-N19 111.315 4.393 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.38 0 O4'-C1'-N19 110.252 3.065 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo . . . . . 0 N--CA 1.494 1.522 0 CA-C-O 120.999 0.333 . . . . 7.56 111.854 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -77.42 151.08 34.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.033 -1.042 . . . . 7.46 109.213 -179.563 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.72 166.83 31.07 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.213 -0.929 . . . . 4.04 108.918 179.929 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -151.74 -60.06 0.16 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.2 -0.937 . . . . 4.49 108.927 179.887 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.412 ' HG2' ' NH1' ' A' ' 14' ' ' ARG . 44.0 mtt-85 -88.66 104.09 16.54 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.445 -0.784 . . . . 0.79 110.13 179.904 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.93 128.56 46.01 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.375 -0.828 . . . . 0.93 110.512 179.818 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -92.83 4.66 53.44 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.36 -0.838 . . . . 2.1 109.565 178.924 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.581 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 50.6 m-70 -80.74 -31.99 0.64 Allowed Pre-proline 0 N--CA 1.498 1.947 0 N-CA-C 113.384 0.883 . . . . 3.25 113.384 -177.534 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 76.9 Cg_exo -50.26 140.15 34.44 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 121.565 1.51 . . . . 1.0 111.951 -179.068 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -76.22 -179.55 5.36 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.201 1.934 . . . . 1.37 111.337 179.837 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.3 31.31 63.74 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.248 -1.541 . . . . 1.3 109.248 -179.753 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 21' ' ' THR . 10.1 t -89.32 95.7 10.4 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.248 -1.148 . . . . 1.05 109.53 -179.333 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.34 141.71 38.23 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.188 -1.042 . . . . 2.59 108.188 179.455 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -105.3 74.26 0.26 Allowed Pre-proline 0 N--CA 1.497 1.908 0 O-C-N 121.257 -0.902 . . . . 2.32 111.039 -179.127 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -60.28 146.83 95.66 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.668 1.579 . . . . 0.86 112.201 179.567 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.562 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.4 -16.77 61.84 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.286 -0.884 . . . . 3.74 110.905 -179.06 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.2 m -71.31 -0.51 10.22 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.659 -1.275 . . . . 0.87 110.184 -179.569 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.493 ' NH1' ' N7 ' ' B' ' 107' ' ' ' DA' . 31.2 mmt180 -89.74 -64.0 1.2 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.077 -1.014 . . . . 1.06 110.872 -178.998 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -88.82 -27.36 21.13 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.986 -1.071 . . . . 0.66 111.195 -178.321 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -61.74 -38.39 87.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.669 -1.27 . . . . 2.82 108.793 179.955 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.2 m -60.06 -31.03 69.61 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.603 -0.685 . . . . 0.44 110.689 -179.075 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -92.28 135.16 34.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.784 -1.197 . . . . 1.3 110.015 -178.785 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -113.28 149.37 41.36 Favored Pre-proline 0 N--CA 1.5 2.029 0 N-CA-C 109.116 -0.698 . . . . 2.07 109.116 -179.833 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -38.93 152.41 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.117 1.878 . . . . 0.48 112.065 -179.327 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -145.99 127.38 14.95 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.212 -0.93 . . . . 0.27 109.856 -179.465 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.506 HG22 ' N ' ' A' ' 36' ' ' CYS . 77.0 m -108.21 159.03 16.93 Favored 'General case' 0 N--CA 1.499 1.978 0 CA-C-O 121.849 0.833 . . . . 0.39 110.338 -179.699 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.506 ' N ' HG22 ' A' ' 35' ' ' THR . 2.6 t -93.98 128.4 41.41 Favored Pre-proline 0 C--N 1.304 -1.409 0 N-CA-C 108.79 -0.818 . . . . 0.42 108.79 179.725 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.07 -5.73 16.06 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.036 1.824 . . . . 0.8 112.278 -179.516 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.1 mt -97.82 -60.04 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.294 -0.879 . . . . 0.53 110.079 -179.554 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.621 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.9 p -112.45 23.01 14.05 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.393 -0.817 . . . . 0.47 110.826 -179.076 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 49.21 19.97 0.37 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.184 -0.947 . . . . 0.66 111.065 178.821 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.621 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.58 138.23 56.98 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 107.058 -1.46 . . . . 0.38 107.058 178.167 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.7 t -95.75 115.95 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.18 -0.95 . . . . 0.42 110.001 -178.844 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 42.8 mm -113.85 129.82 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 108.037 -1.098 . . . . 0.26 108.037 178.809 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -74.07 -62.37 1.53 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.885 -1.135 . . . . 2.05 111.245 -178.511 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.428 ' OE1' ' N7 ' ' B' ' 105' ' ' ' DA' . 91.2 mt-30 -80.16 140.83 36.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.962 -1.086 . . . . 1.22 110.455 -179.743 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.9 p -66.83 -39.24 87.58 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.045 -1.034 . . . . 0.35 110.073 179.904 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' NH1' ' O6 ' ' B' ' 106' ' ' ' DG' . 10.9 ptp180 -54.75 -36.96 65.35 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.654 -1.279 . . . . 0.86 108.522 179.592 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 99.1 m-20 -67.06 -30.76 70.92 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.603 -0.685 . . . . 0.33 109.336 -179.888 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.84 -42.47 89.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.155 -0.966 . . . . 0.37 108.912 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -59.24 -41.74 89.43 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.263 -1.014 . . . . 3.24 108.263 -179.74 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -66.67 -32.54 73.92 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.351 -0.843 . . . . 0.45 110.356 179.322 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -64.07 -43.29 95.9 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.158 -0.964 . . . . 0.33 110.201 -179.217 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.9 mt -62.0 -39.83 93.59 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.207 -0.933 . . . . 0.44 110.385 -179.656 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.786 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 98.3 mt-10 -70.05 -29.38 66.38 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.231 -0.918 . . . . 2.08 111.726 -178.507 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 59' ' ' ALA . 70.3 mt -98.81 -31.75 11.71 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.852 -1.155 . . . . 0.5 111.995 -178.312 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.545 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 21.3 mmm180 -107.14 8.84 30.35 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.003 -1.061 . . . . 2.21 112.199 -177.257 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.545 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.5 m-70 -155.31 -66.5 0.12 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 120.282 -1.511 . . . . 0.67 111.148 179.451 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -79.55 7.18 8.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.746 -1.221 . . . . 0.88 109.581 -179.068 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -72.22 2.43 5.96 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.516 -0.74 . . . . 1.07 109.042 178.981 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -87.31 155.37 54.47 Favored Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.265 -0.897 . . . . 3.65 109.417 -179.121 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -48.34 162.83 0.29 Allowed 'Trans proline' 0 N--CA 1.488 1.197 0 C-N-CA 121.449 1.433 . . . . 2.33 111.555 178.987 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.12 -1.21 32.71 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.492 -1.043 . . . . 3.27 110.492 -179.568 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 N--CA 1.496 1.829 0 O-C-N 121.146 -1.208 . . . . 5.18 109.723 -179.863 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.445 0 O4'-C1'-N19 110.478 3.348 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.562 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.433 0 O4'-C1'-N19 110.252 3.065 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.562 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.788 0 O4'-C1'-N19 110.876 3.845 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.52 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.345 1 O4'-C1'-N19 111.104 4.13 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.52 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.715 1 O4'-C1'-N19 111.305 4.381 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.464 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.938 0 C3'-C2'-C1' 106.849 2.963 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.464 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.503 0 O4'-C1'-N19 110.757 3.696 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.539 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.937 3.921 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.539 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.884 0 O4'-C1'-N19 110.662 3.577 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.852 0 O4'-C1'-N19 110.472 3.341 . . . . 0.86 . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.503 0 O4'-C1'-N19 110.702 3.628 . . . . 0.96 . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.925 3.906 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.785 0 O4'-C1'-N19 110.345 3.181 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.051 1 O4'-C1'-N19 111.612 4.766 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.501 H2'' " O5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.617 0 C3'-C2'-C1' 106.975 3.053 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.686 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.394 0 C3'-C2'-C1' 107.13 3.164 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.686 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.413 0 O4'-C1'-N19 110.861 3.826 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.455 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.611 1 O4'-C1'-N19 111.613 4.766 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.416 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.152 0 O4'-C1'-N19 110.938 3.922 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.868 0 O4'-C1'-N19 110.698 3.622 . . . . 0.68 . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.831 0 O4'-C1'-N19 110.816 3.77 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.419 3.274 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo . . . . . 0 N--CA 1.49 1.286 0 CA-C-O 121.194 0.414 . . . . 7.56 112.259 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.613 ' NZ ' ' NZ ' ' A' ' 13' ' ' LYS . 7.8 mtpm? -148.37 67.03 1.07 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.228 -0.92 . . . . 7.46 109.629 179.813 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.68 133.27 49.04 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.29 -0.881 . . . . 4.04 109.417 179.84 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.613 ' NZ ' ' NZ ' ' A' ' 11' ' ' LYS . 10.7 ptpt -157.31 175.35 14.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.238 -0.914 . . . . 4.49 109.291 -179.529 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.3 mtt-85 -81.43 92.75 6.49 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.878 -1.139 . . . . 0.79 109.143 179.504 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.53 124.81 38.78 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.341 -0.849 . . . . 0.93 109.378 179.764 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -92.94 10.09 32.75 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.156 -0.965 . . . . 2.1 109.623 179.262 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.633 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 52.8 t-80 -82.68 -30.11 0.49 Allowed Pre-proline 0 N--CA 1.497 1.922 0 O-C-N 121.201 -0.937 . . . . 3.25 112.905 -178.471 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 78.0 Cg_exo -52.46 139.78 55.26 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.162 1.908 . . . . 1.0 113.07 -178.197 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.7 173.4 13.44 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.344 2.029 . . . . 1.37 112.31 179.662 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.47 25.91 64.56 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 110.167 -1.173 . . . . 1.3 110.167 179.455 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 21' ' ' THR . 3.3 t -91.36 86.71 6.19 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.093 -1.24 . . . . 1.05 109.113 179.75 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -82.85 139.48 33.45 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.91 -1.144 . . . . 2.59 107.91 179.132 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -89.19 112.63 52.35 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 121.05 -1.031 . . . . 2.32 111.28 -178.673 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -86.36 136.42 4.73 Favored 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.285 1.99 . . . . 0.86 111.323 178.181 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.64 -21.11 62.66 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.261 -0.899 . . . . 3.74 110.618 -179.782 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 m -69.46 -2.23 10.63 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.125 -0.985 . . . . 0.87 109.717 -179.181 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' A' ' 27' ' ' ARG . 2.0 mmt-85 -107.72 -26.24 10.91 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 121.3 -0.875 . . . . 1.06 111.026 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 p -109.97 -36.22 5.93 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 120.897 -1.127 . . . . 0.66 109.121 -179.843 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -63.3 -35.65 81.06 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.35 -0.844 . . . . 2.82 110.381 -179.858 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.0 m -60.31 -26.62 66.67 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.768 -1.207 . . . . 0.44 110.448 -179.46 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.494 ' OE2' ' NH1' ' A' ' 47' ' ' ARG . 68.9 mm-40 -80.79 135.18 35.92 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.21 -0.931 . . . . 1.3 109.908 -179.609 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -114.91 153.58 47.01 Favored Pre-proline 0 N--CA 1.506 2.368 0 O-C-N 121.342 -0.849 . . . . 2.07 108.806 179.559 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -42.24 152.49 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.858 1.705 . . . . 0.48 112.088 179.151 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.91 131.13 17.42 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.163 -0.96 . . . . 0.27 109.375 179.692 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 36' ' ' CYS . 21.1 m -114.51 160.83 18.78 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.643 -0.66 . . . . 0.39 109.766 -179.365 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 40' ' ' TYR . 5.4 t -105.4 101.09 29.44 Favored Pre-proline 0 N--CA 1.495 1.802 0 N-CA-C 109.248 -0.649 . . . . 0.42 109.248 179.671 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.93 -3.23 0.43 Allowed 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 122.053 1.836 . . . . 0.8 113.741 -179.685 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.1 mt -95.46 -50.78 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.846 -1.159 . . . . 0.53 109.594 -178.977 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 13.7 p -121.03 8.14 10.39 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 109.027 -0.731 . . . . 0.47 109.027 179.608 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' CYS . 88.3 m-85 59.22 20.97 9.05 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.894 -0.504 . . . . 0.66 111.32 178.931 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.424 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -58.22 138.47 56.25 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.385 -1.447 . . . . 0.38 107.137 178.075 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -95.73 109.39 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.909 -1.119 . . . . 0.42 109.797 -178.973 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' ALA . 37.9 mm -109.96 129.54 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 N-CA-C 108.806 -0.812 . . . . 0.26 108.806 179.228 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.498 ' NH2' ' OP1' ' B' ' 105' ' ' ' DA' . 4.7 mtm180 -74.61 -56.22 5.05 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.835 -1.166 . . . . 2.05 110.708 -179.343 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.516 ' OE1' ' ND2' ' A' ' 48' ' ' ASN . 98.5 mt-30 -78.43 130.15 35.75 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.841 -1.162 . . . . 1.22 110.45 -179.205 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.3 p -63.22 -39.78 95.6 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.226 -0.921 . . . . 0.35 109.289 179.734 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.494 ' NH1' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -58.09 -41.46 83.51 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 118.552 -1.259 . . . . 0.86 108.821 179.534 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.516 ' ND2' ' OE1' ' A' ' 45' ' ' GLN . 86.1 m-20 -60.84 -35.61 76.99 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.227 -0.921 . . . . 0.33 109.687 179.866 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.86 -39.94 78.97 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.409 -0.959 . . . . 0.37 108.409 179.764 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -58.97 -40.68 85.5 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.82 -1.178 . . . . 3.24 107.82 179.703 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.417 HH12 ' HA ' ' A' ' 48' ' ' ASN . 13.7 ttp-105 -65.93 -36.4 83.26 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.83 -0.748 . . . . 0.45 109.006 178.833 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -65.54 -39.42 91.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.469 -0.769 . . . . 0.33 110.585 -179.692 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 58' ' ' PHE . 84.9 mt -59.18 -40.5 85.89 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.609 -1.307 . . . . 0.44 109.212 -179.447 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 47.7 mt-10 -72.64 -24.48 61.06 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.218 -0.926 . . . . 2.08 112.004 -179.447 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -88.68 -43.22 11.48 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.425 -1.422 . . . . 0.5 112.148 -177.279 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.6 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 29.2 mmm-85 -106.09 0.68 25.71 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.952 -1.093 . . . . 2.21 113.286 -176.919 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.6 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 46.5 m-70 -148.34 -65.34 0.25 Allowed 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.079 -1.638 . . . . 0.67 111.491 -179.056 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 53' ' ' LEU . 39.6 m-85 -79.43 21.07 0.51 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.078 -1.014 . . . . 0.88 110.121 -178.746 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -68.63 5.47 1.06 Allowed 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.534 -0.729 . . . . 1.07 109.668 -179.857 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.529 ' N ' ' CD ' ' A' ' 60' ' ' LYS . 2.0 mptp? -83.45 149.83 58.77 Favored Pre-proline 0 C--N 1.303 -1.431 0 O-C-N 121.234 -0.916 . . . . 3.65 109.456 179.989 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.43 153.01 79.26 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.427 2.085 . . . . 2.33 111.009 179.834 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.13 -169.15 31.25 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.893 -1.683 . . . . 3.27 108.893 -179.719 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.145 -1.209 . . . . 5.18 109.129 -179.972 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.47 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.335 3.169 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.538 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.454 0 O4'-C1'-N19 110.379 3.224 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.538 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.794 3.742 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 O4'-C1'-N19 110.603 3.504 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.286 1 O4'-C1'-N19 111.502 4.627 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.506 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.473 0 O4'-C1'-N19 110.513 3.391 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.506 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.337 0 O4'-C1'-N19 110.441 3.302 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.512 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.411 1 O4'-C1'-N19 111.054 4.068 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.58 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.18 0 O4'-C1'-N19 110.601 3.501 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.58 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.42 0 O4'-C1'-N19 110.438 3.298 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.465 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.601 1 O4'-C1'-N19 111.039 4.049 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . 0.489 HO5' ' H8 ' ' C' ' 112' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.511 0 O4'-C1'-N19 110.461 3.326 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.591 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.487 0 O4'-C1'-N19 110.883 3.854 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.591 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.559 0 O4'-C1'-N19 110.576 3.47 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.43 " O5'" H2'' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.988 0 O4'-C1'-N19 110.763 3.704 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 0 O4'-C1'-N19 110.363 3.204 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.537 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 111.124 4.156 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.537 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.223 1 O4'-C1'-N19 111.397 4.496 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.267 0 O4'-C1'-N19 110.837 3.797 . . . . 0.64 . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.648 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.413 1 O4'-C1'-N19 111.238 4.298 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.648 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.205 1 O4'-C1'-N19 111.078 4.098 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.373 0 O4'-C1'-N19 110.468 3.336 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 N--CA 1.495 1.592 0 CA-C-O 121.112 0.38 . . . . 7.56 112.018 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -82.35 144.2 30.72 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.26 -0.9 . . . . 7.46 108.771 179.027 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.23 67.02 0.46 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.059 -1.026 . . . . 4.04 109.971 179.522 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -82.25 120.82 25.85 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.661 -0.866 . . . . 4.49 108.661 179.388 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -89.18 92.55 9.23 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.988 -1.116 . . . . 0.79 107.988 179.669 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.91 106.36 18.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.446 -0.784 . . . . 0.93 110.467 -178.826 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -94.88 4.57 53.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.252 -0.905 . . . . 2.1 110.148 179.059 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.599 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 6.7 t60 -83.08 -34.74 0.63 Allowed Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.195 -0.941 . . . . 3.25 112.187 -178.359 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 74.3 Cg_exo -50.84 155.8 5.33 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.843 1.695 . . . . 1.0 111.195 -179.122 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -57.91 165.42 6.67 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.411 2.074 . . . . 1.37 112.089 -179.035 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.59 17.27 73.66 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.097 -1.201 . . . . 1.3 110.097 179.711 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.44 85.45 5.77 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.131 -1.217 . . . . 1.05 108.655 179.424 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -74.99 146.23 41.84 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.094 -1.004 . . . . 2.59 108.932 -179.858 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -105.84 74.15 0.3 Allowed Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.388 -0.82 . . . . 2.32 110.786 -179.291 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.32 138.63 51.68 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 C-N-CA 121.276 1.317 . . . . 0.86 111.259 179.15 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.5 HH11 ' HG2' ' A' ' 25' ' ' ARG . 6.4 mmt-85 -71.37 -4.31 25.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.322 -0.862 . . . . 3.74 110.053 -179.29 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.3 m -69.54 -2.78 12.3 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.135 -0.978 . . . . 0.87 109.658 -179.909 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.512 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 19.9 mmt180 -106.13 -26.65 11.5 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.16 -0.962 . . . . 1.06 110.037 -179.158 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 p -105.91 -28.71 10.43 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.32 -0.862 . . . . 0.66 109.802 -179.451 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -66.37 -38.75 88.29 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.125 -0.984 . . . . 2.82 109.324 179.591 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.0 m -57.21 -31.64 65.69 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.439 -0.788 . . . . 0.44 109.627 -179.583 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -95.79 142.21 28.34 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.571 0.7 . . . . 1.3 110.09 -179.449 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -116.78 151.43 47.27 Favored Pre-proline 0 N--CA 1.494 1.755 0 N-CA-C 107.627 -1.249 . . . . 2.07 107.627 179.228 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -38.2 154.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 121.873 1.715 . . . . 0.48 112.035 179.722 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -144.76 137.87 26.76 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.005 -1.059 . . . . 0.27 109.964 179.604 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.7 m -114.91 148.99 37.93 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.417 -0.802 . . . . 0.39 110.153 -179.462 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.0 t -86.14 126.31 65.52 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 108.77 -0.826 . . . . 0.42 108.77 179.776 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.73 -0.45 10.2 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 121.129 1.22 . . . . 0.8 112.373 -179.709 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -104.11 -53.31 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.222 -0.923 . . . . 0.53 110.898 -179.588 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 17.4 p -118.08 17.04 14.13 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.264 -0.898 . . . . 0.47 110.186 -179.497 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 55.05 14.72 1.01 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.548 -0.72 . . . . 0.66 111.435 178.979 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -55.54 136.92 49.71 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.47 -1.394 . . . . 0.38 107.931 178.739 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.79 116.34 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.985 -1.072 . . . . 0.42 109.583 -179.093 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.1 mm -109.85 128.51 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.278 -1.379 . . . . 0.26 107.278 178.425 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.447 HH11 ' HG2' ' A' ' 44' ' ' ARG . 16.6 mtt-85 -71.44 -59.75 2.6 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.125 -0.984 . . . . 2.05 110.385 -178.768 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -83.81 139.93 32.37 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.125 -0.984 . . . . 1.22 111.043 -179.325 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -65.76 -36.28 83.11 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.264 -0.898 . . . . 0.35 110.426 179.4 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -59.81 -38.98 83.51 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.679 -1.263 . . . . 0.86 108.795 -179.75 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.06 -28.9 69.19 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.282 -0.886 . . . . 0.33 108.945 179.289 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.4 tp -58.94 -45.1 91.26 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.117 -0.989 . . . . 0.37 109.256 -179.866 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.403 ' NH1' ' HG3' ' A' ' 50' ' ' ARG . 42.7 ttm-85 -60.02 -40.07 88.03 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.764 -1.21 . . . . 3.24 108.596 179.703 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -64.8 -36.9 85.8 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.605 -0.685 . . . . 0.45 109.402 179.596 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -63.19 -41.58 99.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.376 -0.828 . . . . 0.33 109.577 -179.962 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.41 -41.62 94.3 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.08 -1.013 . . . . 0.44 109.437 179.759 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.886 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.0 mm-40 -73.61 -24.41 60.04 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.516 -0.74 . . . . 2.08 112.274 -179.219 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.456 ' HA ' ' HB2' ' A' ' 59' ' ' ALA . 90.4 mt -100.58 -38.21 8.45 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.987 -1.071 . . . . 0.5 112.023 -178.037 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 17.5 mmm180 -103.19 12.92 35.09 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.987 -1.07 . . . . 2.21 112.277 -177.0 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 99.3 m-70 -154.5 -65.81 0.13 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.168 -1.582 . . . . 0.67 111.425 179.49 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -81.52 1.42 33.58 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.047 -1.033 . . . . 0.88 110.267 -178.755 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.886 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -72.25 -8.9 57.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.183 -0.948 . . . . 1.07 108.859 179.503 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -90.3 149.17 40.7 Favored Pre-proline 0 N--CA 1.498 1.933 0 O-C-N 121.427 -0.795 . . . . 3.65 109.456 -179.845 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.38 128.37 10.38 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 121.749 1.632 . . . . 2.33 111.925 179.383 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.03 -82.45 0.05 OUTLIER Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.522 -1.431 . . . . 3.27 109.522 179.896 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.499 1.984 0 O-C-N 121.186 -1.185 . . . . 5.18 109.247 179.812 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.528 0 O4'-C1'-N19 110.318 3.147 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.619 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.707 1 O4'-C1'-N19 111.052 4.065 . . . . 0.77 . . . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.619 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.298 0 C3'-C2'-C1' 106.675 2.839 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.518 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.515 1 O4'-C1'-N19 111.113 4.142 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.524 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.529 2.27 1 O4'-C1'-N19 111.099 4.124 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.505 H2'' " O5'" ' B' ' 107' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.701 0 O4'-C1'-N19 110.185 2.982 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . 0.505 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.168 0 O4'-C1'-N19 110.794 3.743 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.538 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.696 1 O4'-C1'-N19 111.417 4.521 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.493 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.821 1 O4'-C1'-N19 111.08 4.101 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.493 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.404 1 O4'-C1'-N19 111.041 4.051 . . . . 0.86 . . . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.94 0 O4'-C1'-N19 110.913 3.891 . . . . 0.96 . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.086 0 O4'-C1'-N19 110.817 3.771 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.725 0 C3'-C2'-C1' 106.944 3.032 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.606 1 O4'-C1'-N19 111.162 4.202 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.611 0 C3'-C2'-C1' 107.15 3.178 . . . . 0.53 . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.478 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.959 0 O4'-C1'-N19 110.892 3.864 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.604 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.589 1 O4'-C1'-N19 111.433 4.541 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.604 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.967 1 O4'-C1'-N19 111.889 5.111 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.56 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.827 3.783 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.56 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.496 1 O4'-C1'-N19 111.163 4.203 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.42 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.755 1 O4'-C1'-N19 111.008 4.01 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.43 0 O4'-C1'-N19 110.491 3.364 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo . . . . . 0 N--CA 1.493 1.497 0 CA-C-O 121.082 0.367 . . . . 7.56 112.581 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -80.79 2.66 25.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.081 -1.012 . . . . 7.46 109.152 -179.517 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.73 169.17 15.05 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.253 -0.904 . . . . 4.04 108.66 179.538 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -80.07 155.09 27.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.758 -1.214 . . . . 4.49 109.691 179.895 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -84.82 107.89 17.21 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.091 -1.006 . . . . 0.79 109.564 -179.816 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.24 105.77 17.75 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.419 -0.801 . . . . 0.93 110.217 179.775 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -92.53 12.87 21.49 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.422 -0.799 . . . . 2.1 109.423 179.122 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.618 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.9 m170 -81.67 -30.18 0.53 Allowed Pre-proline 0 N--CA 1.497 1.877 0 N-CA-C 113.325 0.861 . . . . 3.25 113.325 -178.509 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 69.0 Cg_exo -52.3 155.18 9.81 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.308 2.006 . . . . 1.0 112.476 -178.864 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.74 174.19 4.83 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.401 2.068 . . . . 1.37 111.909 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.64 10.99 85.88 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.823 -1.311 . . . . 1.3 109.823 -179.996 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 21' ' ' THR . 9.9 t -92.94 86.58 5.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -1.181 . . . . 1.05 109.176 -179.752 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -80.63 153.56 27.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.059 -1.026 . . . . 2.59 109.69 -179.978 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -105.5 70.89 0.22 Allowed Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 122.013 -0.43 . . . . 2.32 110.17 -179.814 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -63.2 135.35 50.15 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.056 1.837 . . . . 0.86 111.106 179.474 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.562 HH11 ' HG2' ' A' ' 25' ' ' ARG . 4.7 mmt-85 -70.04 -5.94 30.1 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.309 -0.869 . . . . 3.74 110.569 -179.212 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.6 m -72.55 -3.88 27.29 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.625 -1.297 . . . . 0.87 109.723 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.538 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 28.6 mmt180 -106.41 -26.4 11.48 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.246 -0.909 . . . . 1.06 109.167 179.692 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.9 p -106.69 -32.17 8.12 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.47 -0.768 . . . . 0.66 109.531 179.785 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -61.0 -37.67 83.34 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.954 -1.091 . . . . 2.82 108.188 179.051 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.3 m -59.96 -29.91 68.73 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.482 -0.761 . . . . 0.44 109.075 179.3 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -83.38 135.44 34.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.188 -0.945 . . . . 1.3 109.462 179.542 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -116.32 151.48 46.88 Favored Pre-proline 0 N--CA 1.499 2.004 0 N-CA-C 108.303 -0.999 . . . . 2.07 108.303 179.105 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -41.5 157.42 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.058 1.839 . . . . 0.48 111.934 179.396 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -146.35 130.95 17.82 Favored 'General case' 0 N--CA 1.507 2.396 0 O-C-N 120.872 -1.142 . . . . 0.27 110.97 -179.75 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.3 m -116.93 140.73 49.12 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 121.389 -0.82 . . . . 0.39 110.066 179.163 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.7 t -82.01 123.72 79.59 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.389 -0.819 . . . . 0.42 109.302 179.569 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.4 1.14 7.71 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.413 1.409 . . . . 0.8 112.774 -179.626 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.3 mt -104.97 -46.57 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.052 -1.03 . . . . 0.53 110.316 -179.576 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.9 p -125.63 18.63 8.04 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.47 -0.769 . . . . 0.47 110.255 -179.776 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 52.84 18.31 1.03 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.494 -0.754 . . . . 0.66 111.623 178.527 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.46 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.63 132.07 52.12 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 107.014 -1.476 . . . . 0.38 107.014 178.125 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 t -93.14 113.23 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.758 -1.214 . . . . 0.42 110.185 -178.802 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 34' ' ' ALA . 41.9 mm -108.92 131.39 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 108.186 -1.042 . . . . 0.26 108.186 179.25 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.493 HH11 ' HG2' ' A' ' 44' ' ' ARG . 24.3 mtt-85 -74.62 -59.46 2.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.616 -1.303 . . . . 2.05 110.7 -179.172 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.687 HE22 ' NH2' ' A' ' 47' ' ' ARG . 73.6 mt-30 -81.93 138.19 35.03 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.212 -0.93 . . . . 1.22 110.22 -179.048 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.7 p -66.94 -38.76 86.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.298 -0.876 . . . . 0.35 110.038 -179.464 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.687 ' NH2' HE22 ' A' ' 45' ' ' GLN . 30.6 ptt180 -53.75 -43.67 69.36 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.848 -1.157 . . . . 0.86 108.43 179.494 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 95.7 m-20 -62.17 -31.75 72.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.512 -0.742 . . . . 0.33 109.802 179.638 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.8 tp -60.11 -42.13 94.08 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 120.999 -1.063 . . . . 0.37 109.4 -179.987 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.561 HH11 ' HG2' ' A' ' 50' ' ' ARG . 19.8 mtt-85 -59.18 -37.4 77.3 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.519 -1.289 . . . . 3.24 107.519 179.585 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' NH2' ' C5 ' ' B' ' 103' ' ' ' DC' . 45.5 ttp180 -68.25 -37.42 80.75 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.111 -0.7 . . . . 0.45 109.111 178.838 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -62.71 -39.91 95.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.316 -0.865 . . . . 0.33 109.431 179.84 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.58 -43.19 97.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.943 -1.098 . . . . 0.44 110.173 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.704 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 79.9 mm-40 -72.7 -26.8 61.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.002 -1.062 . . . . 2.08 112.12 -178.827 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.0 mt -90.34 -38.77 13.13 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.469 -1.395 . . . . 0.5 112.085 -177.387 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.563 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 20.6 mmm180 -108.42 8.56 27.52 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.072 -1.017 . . . . 2.21 113.316 -176.911 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 85.2 m-70 -152.56 -69.68 0.16 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 119.943 -1.723 . . . . 0.67 111.38 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.47 ' C ' ' H ' ' A' ' 60' ' ' LYS . 56.8 m-85 -81.54 20.94 0.84 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.18 -0.95 . . . . 0.88 109.724 -178.906 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -71.49 11.71 0.44 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.43 -0.794 . . . . 1.07 109.222 -179.815 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 58' ' ' PHE . 61.7 mttp -84.84 149.97 54.86 Favored Pre-proline 0 N--CA 1.491 1.581 0 N-CA-C 108.494 -0.928 . . . . 3.65 108.494 179.925 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.8 155.18 55.95 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.27 1.98 . . . . 2.33 112.049 -179.339 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.53 161.65 54.43 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 108.954 -1.658 . . . . 3.27 108.954 179.625 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.9 m . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.381 -1.07 . . . . 5.18 109.241 -179.759 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.701 3.627 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.524 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.861 0 C3'-C2'-C1' 106.799 2.928 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.502 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.778 3.722 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.713 1 O4'-C1'-N19 111.021 4.026 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.652 1 O4'-C1'-N19 111.378 4.473 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.09 0 O4'-C1'-N19 110.354 3.192 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 1.81 0 O4'-C1'-N19 110.987 3.983 . . . . 0.7 . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.495 ' O6 ' ' NE ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.445 0 O4'-C1'-N19 110.521 3.401 . . . . 0.66 . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.557 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.43 0 O4'-C1'-N19 110.629 3.536 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.557 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.14 0 O4'-C1'-N19 110.376 3.22 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.528 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.735 1 O4'-C1'-N19 111.054 4.068 . . . . 0.96 . . . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.603 3.503 . . . . 0.9 . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.528 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.77 0 O4'-C1'-N19 110.331 3.164 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.528 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.782 0 O4'-C1'-N19 110.311 3.139 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.191 0 C3'-C2'-C1' 106.883 2.988 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.437 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O4'-C1'-N19 110.821 3.777 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.481 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.464 1 O4'-C1'-N19 111.458 4.572 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.541 H2'' " O5'" ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.667 1 O4'-C1'-N19 111.488 4.61 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.541 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.552 0 O4'-C1'-N19 110.799 3.748 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.545 ' N2 ' ' C2 ' ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.359 0 O4'-C1'-N19 110.896 3.87 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.545 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.993 0 O4'-C1'-N19 110.845 3.806 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.5 3.376 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo . . . . . 0 N--CA 1.491 1.328 0 CA-C-O 121.587 0.578 . . . . 7.56 112.229 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -84.2 146.08 28.01 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.514 -0.741 . . . . 7.46 109.638 179.768 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.7 -168.66 2.33 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.111 -0.993 . . . . 4.04 109.454 179.844 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -87.2 141.85 28.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.19 -0.944 . . . . 4.49 109.482 179.687 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -86.52 98.14 10.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.177 -0.952 . . . . 0.79 109.377 -179.657 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.74 129.22 40.16 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.133 -0.979 . . . . 0.93 111.022 -179.353 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -89.77 18.42 5.6 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 109.166 -0.679 . . . . 2.1 109.166 178.445 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.628 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 27.7 m170 -77.26 -31.14 0.83 Allowed Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.333 -0.854 . . . . 3.25 111.52 -179.322 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 51.6 Cg_exo -54.16 149.61 35.46 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.605 1.537 . . . . 1.0 111.725 -179.496 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -76.95 171.71 17.48 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.267 1.978 . . . . 1.37 112.864 -179.483 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.56 29.63 47.89 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 110.59 -1.004 . . . . 1.3 110.59 179.589 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 21' ' ' THR . 9.5 t -91.38 90.92 7.9 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.11 -1.229 . . . . 1.05 110.112 179.907 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -84.72 149.24 25.92 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.622 -0.881 . . . . 2.59 108.622 178.89 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -105.21 81.37 0.61 Allowed Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.683 -0.636 . . . . 2.32 109.537 179.858 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.9 136.09 40.26 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.044 1.163 . . . . 0.86 110.778 179.433 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -67.65 -11.13 57.56 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.462 -0.774 . . . . 3.74 110.16 -178.53 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.1 m -72.47 -5.35 36.17 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.98 -1.075 . . . . 0.87 110.639 -179.464 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' NE ' ' O6 ' ' B' ' 108' ' ' ' DG' . 24.5 mmt-85 -102.5 -27.66 12.65 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.09 -1.007 . . . . 1.06 109.836 -179.859 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.2 p -100.52 -30.61 11.7 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.92 -1.113 . . . . 0.66 110.068 -179.219 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -72.93 -30.39 63.85 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.291 -0.88 . . . . 2.82 109.923 178.848 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.2 m -54.9 -32.64 61.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.024 -1.047 . . . . 0.44 109.794 -179.475 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -96.19 151.52 19.42 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.053 -1.029 . . . . 1.3 110.308 -179.851 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -118.08 153.15 51.2 Favored Pre-proline 0 N--CA 1.496 1.857 0 N-CA-C 107.339 -1.356 . . . . 2.07 107.339 178.257 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -47.93 151.25 3.98 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 121.507 1.471 . . . . 0.48 111.297 -179.134 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -141.26 136.4 31.6 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.205 -0.934 . . . . 0.27 110.032 -179.013 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.1 m -114.25 145.12 42.15 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 121.56 0.695 . . . . 0.39 109.473 179.852 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -79.98 129.15 71.39 Favored Pre-proline 0 N--CA 1.492 1.647 0 N-CA-C 108.536 -0.913 . . . . 0.42 108.536 179.259 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.09 -2.0 12.13 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.606 1.537 . . . . 0.8 112.42 -179.252 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.9 mt -102.27 -61.28 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.559 -0.713 . . . . 0.53 110.216 -179.561 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.6 p -110.5 17.51 20.7 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.887 -1.133 . . . . 0.47 110.756 -179.321 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 55.78 16.47 2.03 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.505 -0.747 . . . . 0.66 111.33 178.504 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -57.78 136.78 56.97 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 107.269 -1.382 . . . . 0.38 107.269 178.402 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 t -94.08 117.82 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.895 -1.128 . . . . 0.42 110.24 -178.686 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.6 mm -113.61 128.16 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 108.115 -1.069 . . . . 0.26 108.115 178.532 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.46 HH11 ' HG2' ' A' ' 44' ' ' ARG . 26.2 mtt-85 -72.37 -59.99 2.45 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.837 -1.164 . . . . 2.05 111.076 -178.101 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -78.04 139.89 39.12 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.031 -1.043 . . . . 1.22 110.079 -179.273 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.4 p -66.38 -36.9 84.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.425 -0.797 . . . . 0.35 109.598 179.699 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.494 ' CG ' ' N ' ' A' ' 48' ' ' ASN . 10.1 ptp180 -58.44 -44.15 89.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.098 -1.002 . . . . 0.86 108.505 -179.827 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.494 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 97.6 m-20 -63.7 -27.28 69.1 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.524 -0.735 . . . . 0.33 109.98 179.733 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.4 tp -59.48 -49.92 75.93 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.619 -1.301 . . . . 0.37 109.186 -179.469 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.441 ' HG3' HH11 ' A' ' 50' ' ' ARG . 31.7 ttm-85 -58.64 -40.32 83.06 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 118.562 -1.255 . . . . 3.24 108.733 -179.062 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -60.89 -38.45 85.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.333 -0.854 . . . . 0.45 109.223 178.802 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -60.8 -35.46 76.53 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.028 -0.73 . . . . 0.33 109.028 179.729 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.6 -44.53 93.35 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.159 -0.963 . . . . 0.44 109.436 179.786 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.669 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.0 mm-40 -72.99 -24.92 60.82 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.195 -0.94 . . . . 2.08 112.446 -179.117 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.3 mt -88.52 -46.38 9.14 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.318 -1.488 . . . . 0.5 112.263 -177.33 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.517 ' NH2' ' OP1' ' B' ' 102' ' ' ' DC' . 3.7 mmp_? -105.94 17.27 23.89 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 120.934 -1.104 . . . . 2.21 112.627 -176.966 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -152.04 -74.96 0.14 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.204 -1.56 . . . . 0.67 109.956 179.103 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -80.96 18.21 1.06 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.444 -0.785 . . . . 0.88 110.224 -179.297 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -70.49 -0.55 8.65 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.33 -0.856 . . . . 1.07 109.175 179.822 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -87.05 155.86 55.04 Favored Pre-proline 0 N--CA 1.49 1.56 0 N-CA-C 108.395 -0.965 . . . . 3.65 108.395 179.584 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -46.24 137.46 14.05 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 121.614 1.543 . . . . 2.33 111.413 -179.996 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.71 137.37 46.67 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.031 -1.627 . . . . 3.27 109.031 -179.954 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.496 1.862 0 O-C-N 121.173 -1.192 . . . . 5.18 110.038 -179.312 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.917 0 O4'-C1'-N19 110.542 3.428 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.492 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.387 0 O4'-C1'-N19 110.494 3.367 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.492 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.482 0 O4'-C1'-N19 110.646 3.558 . . . . 0.65 . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.435 ' C2 ' ' C2 ' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.32 1 O4'-C1'-N19 111.152 4.189 . . . . 0.38 . . . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.477 ' N7 ' ' OE1' ' A' ' 45' ' ' GLN . . . . . . . . 0 C5'--C4' 1.532 2.682 1 O4'-C1'-N19 112.181 5.476 . . . . 0.41 . . . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.46 " O5'" ' H8 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.647 0 C3'-C2'-C1' 106.763 2.902 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.69 3.612 . . . . 0.7 . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.402 ' O6 ' ' CZ ' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.791 1 O4'-C1'-N19 111.558 4.698 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.476 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.592 0 O4'-C1'-N19 110.831 3.789 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.574 H2'' " O5'" ' B' ' 111' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.287 0 O4'-C1'-N19 110.692 3.615 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.574 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.905 0 O4'-C1'-N19 110.786 3.732 . . . . 0.96 . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 1 O4'-C1'-N19 111.101 4.127 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.491 H2'' " O5'" ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.871 0 C3'-C2'-C1' 107.116 3.154 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.491 " O5'" H2'' ' C' ' 113' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.402 1 O4'-C1'-N19 111.023 4.029 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . 0.421 ' N3 ' ' C2 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.366 0 C3'-C2'-C1' 106.776 2.911 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.546 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.115 0 O4'-C1'-N19 110.452 3.315 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.558 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.516 1 O4'-C1'-N19 111.127 4.158 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.558 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.333 1 O4'-C1'-N19 111.063 4.079 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.585 H2'' " O5'" ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.11 0 O4'-C1'-N19 110.887 3.858 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.585 " O5'" H2'' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.256 1 O4'-C1'-N19 111.173 4.216 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.459 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.516 0 O4'-C1'-N19 110.724 3.655 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . 0.524 ' H6 ' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.768 0 C3'-C2'-C1' 107.03 3.093 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo . . . . . 0 N--CA 1.494 1.535 0 CA-C-O 121.257 0.44 . . . . 7.56 111.656 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -84.05 139.9 32.19 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.339 -0.85 . . . . 7.46 110.252 -178.923 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.38 120.25 14.9 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.085 -1.009 . . . . 4.04 109.329 179.955 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -85.66 121.07 27.81 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.758 -1.214 . . . . 4.49 109.588 179.916 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' NH1' ' O2 ' ' C' ' 117' ' ' ' DC' . 96.1 mtt180 -87.23 93.57 9.42 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.014 -1.054 . . . . 0.79 109.437 179.787 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.19 122.82 35.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.222 -0.924 . . . . 0.93 109.751 179.903 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -93.2 15.6 15.0 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.338 -0.851 . . . . 2.1 109.59 179.0 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.639 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 39.2 t-80 -80.34 -31.41 0.64 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.296 -0.877 . . . . 3.25 112.317 -178.45 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 83.1 Cg_exo -51.63 146.33 27.14 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.996 1.797 . . . . 1.0 112.278 -178.628 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.41 174.16 12.26 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.303 2.002 . . . . 1.37 112.373 179.271 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.57 28.87 66.63 Favored Glycine 0 N--CA 1.489 2.208 0 C-N-CA 119.971 -1.109 . . . . 1.3 110.498 179.317 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -90.94 87.73 6.74 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.886 -1.361 . . . . 1.05 109.297 179.872 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -80.25 139.69 36.57 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.338 -0.986 . . . . 2.59 108.338 179.012 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -90.31 112.57 53.44 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.321 -0.862 . . . . 2.32 110.446 -179.238 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -85.78 133.42 4.33 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.076 1.851 . . . . 0.86 111.466 179.207 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -69.05 -10.93 60.04 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.118 -0.989 . . . . 3.74 110.155 -179.498 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -71.43 -6.64 41.81 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.059 -1.025 . . . . 0.87 109.326 179.364 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.562 HH11 ' HG2' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -104.14 -25.53 12.91 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.237 -0.915 . . . . 1.06 109.882 179.67 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -105.11 -35.89 7.46 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.378 -0.826 . . . . 0.66 109.309 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -60.42 -33.84 73.08 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.387 -0.82 . . . . 2.82 108.941 179.581 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -67.64 -22.22 65.33 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.673 -0.642 . . . . 0.44 109.636 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -91.44 138.41 31.6 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.266 -0.896 . . . . 1.3 110.089 -178.859 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -120.28 153.28 55.73 Favored Pre-proline 0 N--CA 1.503 2.208 0 O-C-N 121.52 -0.737 . . . . 2.07 109.1 179.725 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -44.29 151.81 0.5 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.754 1.636 . . . . 0.48 111.639 179.602 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 43' ' ' ILE . . . -147.06 127.58 14.11 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.438 -0.789 . . . . 0.27 109.474 -179.981 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.7 m -110.62 152.56 26.32 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.316 -0.865 . . . . 0.39 109.782 -179.579 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.7 t -87.66 128.63 53.81 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.946 . . . . 0.42 109.325 -179.965 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.34 -0.68 10.36 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 121.4 1.4 . . . . 0.8 113.012 -179.632 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.9 mt -105.65 -60.56 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 121.027 -1.045 . . . . 0.53 111.116 -179.306 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 16.2 p -108.98 15.27 23.53 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.193 -0.942 . . . . 0.47 110.097 -178.652 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 55.07 20.29 3.19 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.477 -0.765 . . . . 0.66 111.329 179.58 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.588 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.0 135.83 57.75 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.433 -1.321 . . . . 0.38 107.433 178.12 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 t -94.7 113.47 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.939 -1.1 . . . . 0.42 110.349 -178.692 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 34' ' ' ALA . 33.6 mm -110.75 129.89 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 N-CA-C 107.664 -1.236 . . . . 0.26 107.664 177.908 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.566 HH11 ' HG2' ' A' ' 44' ' ' ARG . 19.6 mtt-85 -72.37 -60.13 2.38 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.828 -1.17 . . . . 2.05 110.278 -179.072 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.525 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 86.5 mt-30 -77.97 137.86 38.54 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.918 -1.114 . . . . 1.22 110.691 -179.092 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.5 p -67.82 -37.78 82.41 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.545 -0.722 . . . . 0.35 110.686 -179.718 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.525 ' NH2' ' OE1' ' A' ' 45' ' ' GLN . 26.3 ptt180 -59.92 -38.36 82.13 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.048 -1.032 . . . . 0.86 108.972 -179.437 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.413 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 86.1 m-20 -68.06 -28.49 67.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.232 -0.918 . . . . 0.33 109.204 179.358 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.07 -45.99 91.06 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.371 -0.831 . . . . 0.37 109.662 179.766 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -59.74 -39.17 83.85 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.572 -1.27 . . . . 3.24 107.572 -179.706 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -63.63 -35.47 80.64 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.747 -0.781 . . . . 0.45 108.958 178.534 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -63.48 -35.94 82.13 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.463 -0.773 . . . . 0.33 109.048 -179.959 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.91 -40.95 90.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.44 -0.788 . . . . 0.44 109.223 179.443 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.849 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 80.3 mm-40 -74.21 -22.97 59.15 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.218 -0.927 . . . . 2.08 111.991 -179.127 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.5 mt -92.67 -44.61 8.47 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 120.545 -1.347 . . . . 0.5 112.522 -178.179 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.526 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 16.4 mmm180 -105.13 16.46 25.77 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.774 -1.204 . . . . 2.21 112.685 -177.251 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.526 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 92.7 m-70 -152.52 -71.29 0.15 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.28 -1.513 . . . . 0.67 111.145 179.945 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -79.86 9.23 5.52 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.154 -0.966 . . . . 0.88 109.68 -179.12 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.849 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -73.23 6.43 2.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.338 -0.852 . . . . 1.07 109.324 179.87 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -84.7 151.54 58.5 Favored Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 121.25 -0.906 . . . . 3.65 109.308 -179.965 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -46.59 168.35 0.06 OUTLIER 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 121.961 1.774 . . . . 2.33 112.801 179.249 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -149.99 -126.93 1.46 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.232 -1.547 . . . . 3.27 109.232 -179.862 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.9 t . . . . . 0 N--CA 1.497 1.876 0 O-C-N 121.233 -1.157 . . . . 5.18 109.248 179.843 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_